Structure of PDB 3zpc Chain B Binding Site BS03

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 1360 [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 G83 R84 T85
Binding residue
(residue number reindexed from 1)		H52 G81 R82 T83
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:3zpc, PDBe:3zpc, PDBj:3zpc
PDBsum3zpc
PubMed23722836
UniProtD0CB74

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