Structure of PDB 1rsm Chain A Binding Site BS01

Receptor Information
>1rsm 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 IDNIN
InChIInChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChIKeyWDCYWAQPCXBPJA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
ACDLabs 12.01O=[N+]([O-])c1cccc([N+]([O-])=O)c1
CACTVS 3.370[O-][N+](=O)c1cccc(c1)[N+]([O-])=O
FormulaC6 H4 N2 O4
NameDINITROPHENYLENE
ChEMBLCHEMBL114070
DrugBankDB02680
ZINCZINC000001683353
PDB chain1rsm Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rsm The 2-A resolution structure of a thermostable ribonuclease A chemically cross-linked between lysine residues 7 and 41.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K7 R39 K41
Binding residue
(residue number reindexed from 1)		K7 R39 K41
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K41 H119 F120 D121
Catalytic site (residue number reindexed from 1) H12 K41 H119 F120 D121
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:1rsm, PDBe:1rsm, PDBj:1rsm
PDBsum1rsm
PubMed3936036
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

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