Structure of PDB 3fcs Chain A Binding Site BS01

Receptor Information
>3fcs Chain A (length=913) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNLDPVQLTFYAGPNGSQFGFSLDFHKDSHGRVAIVVGAPRTLGPSQEET
GGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKARQGLGASVVSW
SDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGNT
LSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGGYYFLGLLAQAPV
ADIFSSYRPGILLWHVSSQSLSFDSSNPEYFDGYWGYSVAVGEFDGDLNT
TEYVVGAPTWSWTLGAVEILDSYYQRLHRLRGEQMASYFGHSVAVTDVNG
DGRHDLLVGAPLYMESRADRKLAEVGRVYLFLQPRGPHALGAPSLLLTGT
QLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQVLVFLGQSEGLR
SRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYRA
QPVVKASVQLLVQDSLNPAVKSCVLPQTKTPVSCFNIQMCVGATGHNIPQ
KLSLNAELQLDRQKPRQGRRVLLLGSQQAGTTLNLDLGGKHSPICHTTMA
FLRDEADFRDKLSPIVLSLNVSLPPTEAGMAPAVVLHGDTHVQEQTRIVL
DCGEDDVCVPQLQLTASVTGSPLLVGADNVLELQMDAANEGEGAYEAELA
VHLPQGAHYMRALSNVEFERLICNQKKENETRVVLCELGNPMKKNAQIGI
AMLVSVGNLEEAGESVSFQLQIRSKNSQNPNSKIVLLDVPVRAEAQVELR
GNSFPASLVVAASWGPKVEHTYELHNNGPGTVNGLHLSIHLPGQSQPSDL
LYILDIQPQGGLQCFPQPPVNPLKVDWDPVLVSCDSAPCTVVQCDLQEMA
RGQRAMVTVLAFLWLPSLYQRPLDQFVLQSHAWFNVSSLPYAVPPLSLPR
GEAQVWTQLLRAC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3fcs Chain A Residue 2004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fcs Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		E243 D245 D247 T250 T251 E252
Binding residue
(residue number reindexed from 1)		E243 D245 D247 T250 T251 E252
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005178 integrin binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050840 extracellular matrix binding
GO:0060090 molecular adaptor activity
GO:0070051 fibrinogen binding
Biological Process
GO:0001525 angiogenesis
GO:0002687 positive regulation of leukocyte migration
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007229 integrin-mediated signaling pathway
GO:0033627 cell adhesion mediated by integrin
GO:0098609 cell-cell adhesion
Cellular Component
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0008305 integrin complex
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0031092 platelet alpha granule membrane
GO:0070062 extracellular exosome
GO:0070442 integrin alphaIIb-beta3 complex
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fcs, PDBe:3fcs, PDBj:3fcs
PDBsum3fcs
PubMed19111664
UniProtP08514|ITA2B_HUMAN Integrin alpha-IIb (Gene Name=ITGA2B)

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