IntAct European Bioinformatics Institute IntAct intact http://www.ebi.ac.uk/ http://www.ebi.ac.uk/intact/query/${ac} EBI-[0-9]+|IA:[0-9]+ INTerAction database (IntAct) provides an open source database and toolkit for the storage, presentation and analysis of molecular interactions. http://www.ebi.ac.uk/intact European Bioinformatics Institute; Wellcome Trust Genome Campus; Hinxton, Cambridge; CB10 1SD; United Kingdom http://www.ebi.ac.uk/intact/ http://www.ebi.ac.uk/ yu-2012-5 in vitro In vitro electron microscopy electron microscopy Electron crystallography Electron cryomicroscopy Electron crystallography Electron cryomicroscopy predetermined predetermined participant predetermined Yu Y., Zhu J., Mi LZ., Walz T., Sun H., Chen J., Springer TA. IBD - Inflammatory bowel disease Crohn's disease - Interactions of proteins identified as having a link to Crohn's disease springer@idi.harvard.edu The Journal of cell biology 2012 imex curation Only protein-protein interactions yu-2012-4 in vitro In vitro x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Yu Y., Zhu J., Mi LZ., Walz T., Sun H., Chen J., Springer TA. IBD - Inflammatory bowel disease Crohn's disease - Interactions of proteins identified as having a link to Crohn's disease springer@idi.harvard.edu The Journal of cell biology 2012 imex curation Only protein-protein interactions ita4_human Integrin alpha-4 Integrin alpha-IV VLA-4 subunit alpha CD49 antigen-like family member D ITGA4 CD49D protein protein human Homo sapiens Human MAWEARREPGPRRAAVRETVMLLLCLGVPTGRPYNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVINPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSRQPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPCYQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTNKYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYIFSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTIREEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGFEDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQSISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTKFDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRFYFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHLGPHVISKRSTEEFPPLQPILQQKKEKDIMKKTINFARFCAHENCSADLQVSAKIGFLKPHENKTYLAVGSMKTLMLNVSLFNAGDDAYETTLHVKLPVGLYFIKILELEEKQINCEVTDNSGVVQLDCSIGYIYVDHLSRIDISFLLDVSSLSRAEEDLSITVHATCENEEEMDNLKHSRVTVAIPLKYEVKLTVHGFVNPTSFVYGSNDENEPETCMVEKMNLTFHVINTGNSMAPNVSVEIMVPNSFSPQTDKLFNILDVQTTTGECHFENYQRVCALEQQKSAMQTLKGIVRFLSKTDKRLLYCIKADPHCLNFLCNFGKMESGKEASVHIQLEGRPSILEMDETSALKFEIRATGFPEPNPRVIELNKDENVAHVLLEGLHHQRPKRYFTIVIISSSLLLGLIVLLLISYVMWKAGFFKRQYKSILQEENRRDSWSYINSKSNDD itb7_human Integrin beta-7 Gut homing receptor beta subunit ITGB7 protein protein human Homo sapiens Human MVALPMVLVLLLVLSRGESELDAKIPSTGDATEWRNPHLSMLGSCQPAPSCQKCILSHPSCAWCKQLNFTASGEAEARRCARREELLARGCPLEELEEPRGQQEVLQDQPLSQGARGEGATQLAPQRVRVTLRPGEPQQLQVRFLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLVRLQEVTHSVRIGFGSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQAFEREVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFHTAGDGKLGGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQPIFAVTSAALPVYQELSKLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTVTLEHSSLPPGVHISYESQCEGPEKREGKAEDRGQCNHVRINQTVTFWVSLQATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSDTQPQAPHCSDGQGHLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCRAPNGTGPLCSGKGHCQCGRCSCSGQSSGHLCECDDASCERHEGILCGGFGRCQCGVCHCHANRTGRACECSGDMDSCISPEGGLCSGHGRCKCNRCQCLDGYYGALCDQCPGCKTPCERHRDCAECGAFRTGPLATNCSTACAHTNVTLALAPILDDGWCKERTLDNQLFFFLVEDDARGTVVLRVRPQEKGADHTQAIVLGCVGGIVAVGLGLVLAYRLSVEIYDRREYSRFEKEQQQLNWKQDSNPLYKSAITTTINPRFQEADSPTL magnesium(2+) Magnesium(2+) small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) calcium(2+) small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) madca_human Mucosal addressin cell adhesion molecule 1 MADCAM1 protein protein human Homo sapiens Human MDFGLALLLAGLLGLLLGQSLQVKPLQVEPPEPVVAVALGASRQLTCRLACADRGASVQWRGLDTSLGAVQSDTGRSVLTVRNASLSAAGTRVCVGSCGGRTFQHTVQLLVYAFPDQLTVSPAALVPGDPEVACTAHKVTPVDPNALSFSLLVGGQELEGAQALGPEVQEEEEEPQGDEDVLFRVTERWRLPPLGTPVPPALYCQATMRLPGLELSHRQAIPVLHSPTSPEPPDTTSPESPDTTSPESPDTTSQEPPDTTSPEPPDKTSPEPAPQQGSTHTPRSPGSTRTRRPEISQAGPTQGEVIPTGSSKPAGDQLPAALWTSSAVLGLLLLALPTYHLWKRCRHLAEDDTHPPASLRLLPQVSAWAGLRGTGQVGISPS n-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-l-phenylalanine N-(2,6-dichlorobenzoyl)-4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-L-phenylalanine 0DU RO0505376 small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) manganese(2+) Manganese (2+) small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) itga4-3 1885990 N/A 1885992 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885994 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885995 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) 1886004 1886001 direct interaction direct interaction false false false Fig. 7A, S4A itga4-4 1885990 N/A 1885994 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885995 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885996 unspecified role unspecified role neutral component neutral component crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885992 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false region sufficient to bind sufficient binding region sufficient to bind range range range range false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. 1886015 1886012 direct interaction direct interaction false false false Fig. 7F, Fig. S4F itga4-itgb7-3 1885990 N/A 1885995 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885994 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885992 unspecified role unspecified role neutral component neutral component P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. 1886023 1886020 direct interaction direct interaction false false false Fig. 7B, Fig S4B, Fig. S4L Fig.7B and Fig. S4B interactions with Natalizumab (CHEMBL1201607). Fig. S4L interaction with Act-1 Fab, this interactor does not have a sequence identifier. itga4-itgb7-4 1885990 N/A 1885994 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885995 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885992 unspecified role unspecified role neutral component neutral component P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region headpiece sufficient to bind sufficient binding region sufficient to bind range range range range false region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. direct interaction direct interaction false false false Fig. 7C, Fig. 7D, Fig. S4C, Fig.S4D Fig. 7C Interaction with Natalizumab (CHEMBL1201607) Fig. 7D interaction with Act-1 Fab, however, there is no available sequence identifier for Act-1 interactor. itga4-itgb7-6 1885990 N/A 1885995 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885994 unspecified role unspecified role neutral component neutral component crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885997 unspecified role unspecified role neutral component neutral component crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885992 unspecified role unspecified role neutral component neutral component P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind range range range range false region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. direct interaction direct interaction false false false Fig. 7E, Fig. S4E This interaction was done with Act-1 Fab. calcium(2+)-itga4-4 1885990 N/A 1885998 unspecified role unspecified role unspecified role unspecified role chemical synthesis Chemical synthesis (Chemical synthesis) N/A 1885996 unspecified role unspecified role neutral component neutral component N/A 1885992 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885993 unspecified role unspecified role neutral component neutral component region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false region sufficient to bind sufficient binding region sufficient to bind range range range range false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. 1886048 1886045 direct interaction direct interaction false false false Fig. 7G, Fig S4G calcium(2+)-itga4-3 1885990 N/A 1885995 unspecified role unspecified role unspecified role unspecified role N/A 1885994 unspecified role unspecified role unspecified role unspecified role N/A 1885997 unspecified role unspecified role unspecified role unspecified role N/A 1885992 unspecified role unspecified role neutral component neutral component P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false N/A 1885993 unspecified role unspecified role neutral component neutral component region headpiece sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false direct interaction direct interaction false false false Fig. S4I itga4-itgb7-5 1885991 N/A 1885993 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885992 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. 1886063 1886060 direct interaction direct interaction false false false Table 1 3.15 A R_work 22%, R_free25.1% Two antibody fragments were also present in the crystal but could not be mapped to a protein product. itga4-itgb7-1 1885991 N/A 1885993 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false region his tag his tag Hexa-His-tag 6-His-tag Histidine-tag Hexa-His-tag Histidine-tag 6-His-tag undetermined undetermined sequence position undetermined undetermined undetermined sequence position undetermined false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885992 unspecified role unspecified role neutral component neutral component region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false P13612:p.Arg558Ala mutation mutation certain certain sequence position certain certain certain sequence position certain false crigr-cho chinese hamster ovary cell line cho chinese hamster ovary cell line Also called LR73 cells. N/A 1885997 unspecified role unspecified role neutral component neutral component chemical synthesis Chemical synthesis (Chemical synthesis) 1886070 1886067 direct interaction direct interaction false false false Table 1 3.1 A R_work 20%, R_free23.1% Two antibody fragments were also present in the crystal but could not be mapped to a protein product.