Structure of PDB 4qh3 Chain B Binding Site BS02

Receptor Information
>4qh3 Chain B (length=119) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KETAAAKFERQHMDSSSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQ
AVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKH
IIVACEGNPYVPVHFDASV
Ligand information
Ligand IDI83
InChIInChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2;1-2;;;/h1-2H3;2H,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyXAGGIHWWXSGPFS-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CN[Pt](Cl)(Cl)N(C)C
OpenEye OEToolkits 1.7.6CN[Pt](N(C)C)(Cl)Cl
ACDLabs 12.01Cl[Pt](Cl)(NC)N(C)C
FormulaC3 H10 Cl2 N2 Pt
Namebis(chloranyl)-(dimethylamino)-(methylamino)platinum;
trans-dimethylamine methylamine dichlorido platinum(II)
ChEMBL
DrugBank
ZINC
PDB chain4qh3 Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4qh3 Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H48 S80
Binding residue
(residue number reindexed from 1)		H43 S75
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K41 H119 F120 D121
Catalytic site (residue number reindexed from 1) H12 K36 H114 F115 D116
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4qh3, PDBe:4qh3, PDBj:4qh3
PDBsum4qh3
PubMed25025479
UniProtP61823|RNAS1_BOVIN Ribonuclease pancreatic (Gene Name=RNASE1)

[Back to BioLiP]