Structure of PDB 3zpc Chain A Binding Site BS03

Receptor Information
>3zpc Chain A (length=357) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDDQLIGEGFHPKAG
QPHAEVFALRQAGEQAQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVV
VACPDPNPLVAGKGVQILKNAGIEVEIGICEDLAAKLNQGFLKAMSTGMP
YVRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIDTV
IADDCQLNVRSLHNIDIETVAQPKRVILDRRGRLPLTAKILENPETVMVM
GPYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQ
EGLIDEMISYVAPTLLGQSARAMFNADFEYMAQQLRFKLLDVIQLDQDIR
LRLIPTQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3zpc Chain A Residue 1361 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zpc Structure of Diaminohydroxyphosphoribosylaminopyrimidine Deaminase/5-Amino-6-(5-Phosphoribosylamino)Uracil Reductase from Acinetobacter Baumannii.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H54 H81 G83 R84 T85
Binding residue
(residue number reindexed from 1)		H53 H80 G82 R83 T84
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
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Biological Process
External links
PDB RCSB:3zpc, PDBe:3zpc, PDBj:3zpc
PDBsum3zpc
PubMed23722836
UniProtD0CB74

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