Structure of PDB 3zpc Chain B Binding Site BS02

Receptor Information
>3zpc Chain B (length=356) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELKQDQYWMQQAIELAKRGLYSTKPNPNVGCVIVKDDQLIGEGFHPKAGQ
PHAEVFALRQAGEQAQGATAYVTLEPCAHYGRTPPCAEALVKAQVKKVVV
ACPDPNPLVAGKGVQILKNAGIEVEIGICEDLAAKLNQGFLKAMSTGMPY
VRLKVASSLDGRTAMASGESKWITGSAARQDVQHWRAISGAVITGIDTVI
ADDCQLNVRSLHNIDIETVAQPKRVILDRRGRLPLTAKILENPETVMVMG
PYRQELADLGVIQLEIQPLKTLLQTLSKQYQIYDVLIEAGATLSSAFLQE
GLIDEMISYVAPTLLGQSARAMFNADFEYMAQQLRFKLLDVIQLDQDIRL
RLIPTQ
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 B Residue 1359 [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)
R181 R188 C206 Q207 L208 R211
Binding residue
(residue number reindexed from 1)
R179 R186 C204 Q205 L206 R209
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

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Molecular Function

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Biological Process
External links
PDB RCSB:3zpc, PDBe:3zpc, PDBj:3zpc
PDBsum3zpc
PubMed23722836
UniProtD0CB74

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