Structure of PDB 7qwh Chain AAA Binding Site BS01

Receptor Information
>7qwh Chain AAA (length=124) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHES
LADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTT
QANKHIIVACEGNPYVPVHFDASV
Ligand information
Ligand IDI3Y
InChIInChI=1S/C9H7NO.2H2O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;2*1H2;/q;;;+4/p-3
InChIKeyVHSPINZPWRCWRI-UHFFFAOYSA-K
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccc[n+]3c2c(c1)O[V]3(O)O
CACTVS 3.385O[V]1(O)Oc2cccc3ccc[n+]1c23
FormulaC9 H8 N O3 V
Name2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene
ChEMBL
DrugBank
ZINC
PDB chain7qwh Chain AAA Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qwh Interaction of VIVO-8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization
Resolution1.573 Å
Binding residue
(original residue number in PDB)		C65 N67 Q69 N71 A109 E111 V118 H119
Binding residue
(residue number reindexed from 1)		C65 N67 Q69 N71 A109 E111 V118 H119
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.18: pancreatic ribonuclease.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004519 endonuclease activity
GO:0004522 ribonuclease A activity
GO:0004540 RNA nuclease activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7qwh, PDBe:7qwh, PDBj:7qwh
PDBsum7qwh
PubMed
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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