Structure of PDB 4mmx Chain A Binding Site BS01

Receptor Information
>4mmx Chain A (length=924) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDVDSPAEYSGPEGSYFGFAVDFFVPSASSRMFLLVGAPKANTTQPGI
VEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKSHQWFGASVRS
KQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDAD
GQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVY
SIKYNNQLATRTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTL
GMVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLF
MDRGSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDL
DQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSM
PPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLD
KLKQKGAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRD
KLTPITIFMEYRLDYRTAADTTGLQPILNQFTPANISRQAHILLDCGEDN
VCKPKLEVSVDSDQKKIYIGDDNPLTLIVKAQNQGEGAYEAELIVSIPLQ
ADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAGTQLLAGLRFS
VHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSP
DHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWP
YKYNNNTLLYILHYDIDGPMNCTSDMEINPLRIKIDIHTLGCGVAQCLKI
VCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIEFP
YKNLPIEDITNSTLVTTNVTWGIQ
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4mmx Chain G Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4mmx Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin.
Resolution3.32 Å
Binding residue
(original residue number in PDB)		E448 Y450
Binding residue
(residue number reindexed from 1)		E448 Y450
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0001846 opsonin binding
GO:0001968 fibronectin binding
GO:0002020 protease binding
GO:0005080 protein kinase C binding
GO:0005102 signaling receptor binding
GO:0005178 integrin binding
GO:0005245 voltage-gated calcium channel activity
GO:0005515 protein binding
GO:0015026 coreceptor activity
GO:0017134 fibroblast growth factor binding
GO:0019960 C-X3-C chemokine binding
GO:0031994 insulin-like growth factor I binding
GO:0038132 neuregulin binding
GO:0046872 metal ion binding
GO:0050431 transforming growth factor beta binding
GO:0050840 extracellular matrix binding
GO:1990430 extracellular matrix protein binding
Biological Process
GO:0001525 angiogenesis
GO:0001568 blood vessel development
GO:0001570 vasculogenesis
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007229 integrin-mediated signaling pathway
GO:0008284 positive regulation of cell population proliferation
GO:0010745 negative regulation of macrophage derived foam cell differentiation
GO:0010888 negative regulation of lipid storage
GO:0016477 cell migration
GO:0030335 positive regulation of cell migration
GO:0031589 cell-substrate adhesion
GO:0032369 negative regulation of lipid transport
GO:0033627 cell adhesion mediated by integrin
GO:0033690 positive regulation of osteoblast proliferation
GO:0034113 heterotypic cell-cell adhesion
GO:0034446 substrate adhesion-dependent cell spreading
GO:0035313 wound healing, spreading of epidermal cells
GO:0035987 endodermal cell differentiation
GO:0038027 apolipoprotein A-I-mediated signaling pathway
GO:0043277 apoptotic cell clearance
GO:0045785 positive regulation of cell adhesion
GO:0046718 symbiont entry into host cell
GO:0050748 negative regulation of lipoprotein metabolic process
GO:0050764 regulation of phagocytosis
GO:0050919 negative chemotaxis
GO:0051057 positive regulation of small GTPase mediated signal transduction
GO:0070371 ERK1 and ERK2 cascade
GO:0070588 calcium ion transmembrane transport
GO:0071604 transforming growth factor beta production
GO:0085017 entry into host cell by a symbiont-containing vacuole
GO:0097192 extrinsic apoptotic signaling pathway in absence of ligand
GO:0098609 cell-cell adhesion
GO:1902533 positive regulation of intracellular signal transduction
GO:1905598 negative regulation of low-density lipoprotein receptor activity
GO:2000536 negative regulation of entry of bacterium into host cell
GO:2001237 negative regulation of extrinsic apoptotic signaling pathway
Cellular Component
GO:0005829 cytosol
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:0031258 lamellipodium membrane
GO:0031527 filopodium membrane
GO:0031528 microvillus membrane
GO:0032587 ruffle membrane
GO:0034682 integrin alphav-beta1 complex
GO:0034683 integrin alphav-beta3 complex
GO:0034684 integrin alphav-beta5 complex
GO:0034685 integrin alphav-beta6 complex
GO:0034686 integrin alphav-beta8 complex
GO:0035579 specific granule membrane
GO:0035866 alphav-beta3 integrin-PKCalpha complex
GO:0035867 alphav-beta3 integrin-IGF-1-IGF1R complex
GO:0035868 alphav-beta3 integrin-HMGB1 complex
GO:0045335 phagocytic vesicle
GO:0070062 extracellular exosome
GO:0070161 anchoring junction

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mmx, PDBe:4mmx, PDBj:4mmx
PDBsum4mmx
PubMed24658351
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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