Structure of PDB 7nwl Chain B Binding Site BS01

Receptor Information
>7nwl Chain B (length=441) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPTSARCDDLEALKKKG
CPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDIHQIQPQQLVLRLR
SGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMR
RITSDFRIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLS
LTNKGEVFNELVGKQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLL
VFSTDAGFHFAGDGKLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQ
KLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDA
YNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEV
QFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECE
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 chain7nwl Chain B Residue 801 [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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PDB7nwl Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S132 S134 E229
Binding residue
(residue number reindexed from 1)		S128 S130 E225
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0001618 virus receptor activity
GO:0001968 fibronectin binding
GO:0002020 protease binding
GO:0003779 actin binding
GO:0005178 integrin binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0015026 coreceptor activity
GO:0019901 protein kinase binding
GO:0019960 C-X3-C chemokine binding
GO:0038023 signaling receptor activity
GO:0043236 laminin binding
GO:0044877 protein-containing complex binding
GO:0045296 cadherin binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0050839 cell adhesion molecule binding
GO:0098639 collagen binding involved in cell-matrix adhesion
GO:0098640 integrin binding involved in cell-matrix adhesion
GO:1990782 protein tyrosine kinase binding
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0000132 establishment of mitotic spindle orientation
GO:0001525 angiogenesis
GO:0001701 in utero embryonic development
GO:0002042 cell migration involved in sprouting angiogenesis
GO:0002052 positive regulation of neuroblast proliferation
GO:0006909 phagocytosis
GO:0006968 cellular defense response
GO:0007155 cell adhesion
GO:0007156 homophilic cell adhesion via plasma membrane adhesion molecules
GO:0007159 leukocyte cell-cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007161 calcium-independent cell-matrix adhesion
GO:0007179 transforming growth factor beta receptor signaling pathway
GO:0007229 integrin-mediated signaling pathway
GO:0007405 neuroblast proliferation
GO:0007517 muscle organ development
GO:0007520 myoblast fusion
GO:0008283 cell population proliferation
GO:0008354 germ cell migration
GO:0008542 visual learning
GO:0010710 regulation of collagen catabolic process
GO:0010763 positive regulation of fibroblast migration
GO:0014850 response to muscle activity
GO:0016477 cell migration
GO:0021943 formation of radial glial scaffolds
GO:0023035 CD40 signaling pathway
GO:0030030 cell projection organization
GO:0030032 lamellipodium assembly
GO:0030182 neuron differentiation
GO:0030183 B cell differentiation
GO:0030198 extracellular matrix organization
GO:0030335 positive regulation of cell migration
GO:0031175 neuron projection development
GO:0031589 cell-substrate adhesion
GO:0031623 receptor internalization
GO:0033627 cell adhesion mediated by integrin
GO:0033631 cell-cell adhesion mediated by integrin
GO:0034113 heterotypic cell-cell adhesion
GO:0035024 negative regulation of Rho protein signal transduction
GO:0035313 wound healing, spreading of epidermal cells
GO:0035633 maintenance of blood-brain barrier
GO:0043065 positive regulation of apoptotic process
GO:0043149 stress fiber assembly
GO:0043547 positive regulation of GTPase activity
GO:0045214 sarcomere organization
GO:0045445 myoblast differentiation
GO:0045665 negative regulation of neuron differentiation
GO:0045743 positive regulation of fibroblast growth factor receptor signaling pathway
GO:0045766 positive regulation of angiogenesis
GO:0045906 negative regulation of vasoconstriction
GO:0046718 symbiont entry into host cell
GO:0048333 mesodermal cell differentiation
GO:0048626 myoblast fate specification
GO:0048675 axon extension
GO:0048813 dendrite morphogenesis
GO:0050804 modulation of chemical synaptic transmission
GO:0050901 leukocyte tethering or rolling
GO:0051726 regulation of cell cycle
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051951 positive regulation of glutamate uptake involved in transmission of nerve impulse
GO:0055007 cardiac muscle cell differentiation
GO:0060379 cardiac muscle cell myoblast differentiation
GO:0060912 cardiac cell fate specification
GO:0071404 cellular response to low-density lipoprotein particle stimulus
GO:0071711 basement membrane organization
GO:0090303 positive regulation of wound healing
GO:0098609 cell-cell adhesion
GO:0150003 regulation of spontaneous synaptic transmission
GO:0150103 reactive gliosis
GO:1900748 positive regulation of vascular endothelial growth factor signaling pathway
GO:1901979 regulation of inward rectifier potassium channel activity
GO:1903078 positive regulation of protein localization to plasma membrane
GO:1905806 regulation of synapse pruning
GO:2000811 negative regulation of anoikis
Cellular Component
GO:0001726 ruffle
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0008305 integrin complex
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0010008 endosome membrane
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030175 filopodium
GO:0031410 cytoplasmic vesicle
GO:0031594 neuromuscular junction
GO:0032154 cleavage furrow
GO:0032587 ruffle membrane
GO:0034665 integrin alpha1-beta1 complex
GO:0034666 integrin alpha2-beta1 complex
GO:0034667 integrin alpha3-beta1 complex
GO:0034668 integrin alpha4-beta1 complex
GO:0034674 integrin alpha5-beta1 complex
GO:0034675 integrin alpha6-beta1 complex
GO:0034677 integrin alpha7-beta1 complex
GO:0034678 integrin alpha8-beta1 complex
GO:0034679 integrin alpha9-beta1 complex
GO:0034680 integrin alpha10-beta1 complex
GO:0034681 integrin alpha11-beta1 complex
GO:0034682 integrin alphav-beta1 complex
GO:0035748 myelin sheath abaxonal region
GO:0042383 sarcolemma
GO:0042470 melanosome
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0043235 receptor complex
GO:0045121 membrane raft
GO:0045202 synapse
GO:0048471 perinuclear region of cytoplasm
GO:0055037 recycling endosome
GO:0070062 extracellular exosome
GO:0070161 anchoring junction
GO:0097060 synaptic membrane
GO:0097386 glial cell projection
GO:0098685 Schaffer collateral - CA1 synapse
GO:0098978 glutamatergic synapse
GO:0150053 cerebellar climbing fiber to Purkinje cell synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nwl, PDBe:7nwl, PDBj:7nwl
PDBsum7nwl
PubMed33962943
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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