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Structure of PDB 2yfc Chain C Binding Site BS01

Receptor Information
>2yfc Chain C (length=137) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPTNAERLHEFHRAIGAATPERPTPPPPELLRLRQTLLDEESAEVRAEID
HLLARQAAGEALSAGDLAPLAHELADLLYVTYGALDQLGIDADAVFAEVH
RANLSKASGPRRADGKQLKPEGWRPADVRGVIERLQH
Ligand information
Ligand IDUMP
InChIInChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyJSRLJPSBLDHEIO-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
CACTVS 3.370O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
CACTVS 3.370O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.6C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
FormulaC9 H13 N2 O8 P
Name2'-DEOXYURIDINE 5'-MONOPHOSPHATE;
DUMP
ChEMBLCHEMBL211312
DrugBankDB03800
ZINCZINC000004228260
PDB chain2yfc Chain C Residue 1144 [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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PDB2yfc Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		N109 K112 K122 Q123 K125
Binding residue
(residue number reindexed from 1)		N103 K106 K116 Q117 K119
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.1.19: Transferred entry: 3.6.1.9.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity

View graph for
Molecular Function
External links

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