Structure of PDB 5arl Chain D Binding Site BS01

Receptor Information
>5arl Chain D (length=120) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQDRMYQRFLRQHVDPDATGGNDAYCNLMMQRRKMTSHYCKRFNTFIHED
IWNIRSICSTSNIQCKNGQMNCHEGVVKVTACRETGSSRAPNCRYRAMAS
TRRVVIACEGNPEVPVHFDK
Ligand information
Ligand IDDCM
InChIInChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyNCMVOABPESMRCP-SHYZEUOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
FormulaC9 H14 N3 O7 P
Name2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL374699
DrugBankDB03798
ZINCZINC000003861759
PDB chain5arl Chain D Residue 1120 [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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PDB5arl Structural Basis of Substrate Specificity in Porcine Rnase 4.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		H12 K40 F42 N43 T44 H116 F117 K119
Binding residue
(residue number reindexed from 1)		H13 K41 F43 N44 T45 H117 F118 K120
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H12 K40 H116 F117 D118
Catalytic site (residue number reindexed from 1) H13 K41 H117 F118 D119
Enzyme Commision number 3.1.27.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding

View graph for
Molecular Function
External links
PDB RCSB:5arl, PDBe:5arl, PDBj:5arl
PDBsum5arl
PubMed26748441
UniProtP15468|RNAS4_PIG Ribonuclease 4 (Gene Name=RNASE4)

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