Structure of PDB 6naj Chain A Binding Site BS03

Receptor Information
>6naj Chain A (length=920) 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
YKYNNNTLLYILHYDIDGPMNCTSDMEINPLRIKIHTLGCGVAQCLKIVC
QVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIEFPYK
NLPIEDITNSTLVTTNVTWG
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6naj Chain A Residue 1008 [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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PDB6naj Structure-guided design of pure orthosteric inhibitors of alpha IIb beta 3 that prevent thrombosis but preserve hemostasis.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D349 D351 D353 F355 D357
Binding residue
(residue number reindexed from 1)		D349 D351 D353 F355 D357
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:6naj, PDBe:6naj, PDBj:6naj
PDBsum6naj
PubMed31964886
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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