Structure of PDB 3zpg Chain A Binding Site BS03

Receptor Information
>3zpg Chain A (length=354) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDDQLIGEGFHPKAG
QPHAEVFALRQAGEQAQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVV
VACPDPNPLVAGKGVQILKNAGIEVEIGICEDLAAKLNQGFLKAMSTGMP
YVRLKVASSLDGRTAMASGESITGSAARQDVQHWRAISGAVITGIDTVIA
DDCQLNVRSLHNIDIETVAQPKRVILDRRGRLPLTAKILENPETVMVMGP
YRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQEG
LIDEMISYVAPTLLGQSARAMFNADFEYMAQQLRFKLLDVIQLDQDIRLR
LIPT
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain3zpg Chain A Residue 1362 [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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PDB3zpg Structure of Diaminohydroxyphosphoribosylaminopyrimidine Deaminase/5-Amino-6-(5-Phosphoribosylamino)Uracil Reductase from Acinetobacter Baumannii.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		F46 F58
Binding residue
(residue number reindexed from 1)		F45 F57
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.193: 5-amino-6-(5-phosphoribosylamino)uracil reductase.
3.5.4.26: diaminohydroxyphosphoribosylaminopyrimidine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008270 zinc ion binding
GO:0008703 5-amino-6-(5-phosphoribosylamino)uracil reductase activity
GO:0008835 diaminohydroxyphosphoribosylaminopyrimidine deaminase activity
GO:0016491 oxidoreductase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0009231 riboflavin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zpg, PDBe:3zpg, PDBj:3zpg
PDBsum3zpg
PubMed23722836
UniProtD0CB74

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