Structure of PDB 7qhr Chain A Binding Site BS02

Receptor Information
>7qhr Chain A (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 IDCJI
InChIInChI=1S/C3H3N2.C2H4O2.4H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;/h1-3H;1H3,(H,3,4);4*1H2;;/q-1;;;;;;2*+3/p-5
InChIKeyBEADRPPWUGELIN-UHFFFAOYSA-I
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)O[Rh](O)O.O[Rh](O)n1ccnc1
OpenEye OEToolkits 2.0.7CC1=O[Rh]([Rh](O1)(O)O)(n2ccnc2)(O)O
FormulaC5 H10 N2 O6 Rh2
Namecis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)
ChEMBL
DrugBank
ZINC
PDB chain7qhr Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qhr Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y76 H105
Binding residue
(residue number reindexed from 1)		Y76 H105
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:7qhr, PDBe:7qhr, PDBj:7qhr
PDBsum7qhr
PubMed35609175
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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