Structure of PDB 5h9i Chain A Binding Site BS01

Receptor Information
>5h9i Chain A (length=240) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPHMTGLAAISDALAADLAGLSFSSPVAHVYNPLLYAREPHVAYLSRFGS
PPKEVLFVGMNPGPWGMAQTGVPFGEVAVVTEWLGINGTVTRPAGEHPKK
RVDGFACRRSEVSGRRLWGFIRERFGTPERFFARFFVANYCPLLFLTAEG
GNITPDKLRRGEQEPLFAACDLALRRTVVLLRPRVVIGVGAFAEARCHEA
LEGFDVEVGRIIHPSPASPAANRDWAGTALRQLAELGVDF
Ligand information
Ligand IDXAN
InChIInChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nc[nH]c2N1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=O)N2
ACDLabs 10.04O=C2c1ncnc1NC(=O)N2
FormulaC5 H4 N4 O2
NameXANTHINE
ChEMBLCHEMBL1424
DrugBankDB02134
ZINCZINC000013517187
PDB chain5h9i Chain A Residue 301 [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]
PDB5h9i Structural Basis of Substrate Specificity in Geobacter metallireducens SMUG1
Resolution1.501 Å
Binding residue
(original residue number in PDB)		N58 P70 F71 E108 S110 N136 H210
Binding residue
(residue number reindexed from 1)		N61 P73 F74 E111 S113 N139 H213
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000703 oxidized pyrimidine nucleobase lesion DNA N-glycosylase activity
GO:0003677 DNA binding
GO:0004844 uracil DNA N-glycosylase activity
GO:0016787 hydrolase activity
GO:0017065 single-strand selective uracil DNA N-glycosylase activity
Biological Process
GO:0006284 base-excision repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5h9i, PDBe:5h9i, PDBj:5h9i
PDBsum5h9i
PubMed27071000
UniProtQ39ZI0

[Back to BioLiP]