Structure of PDB 4pza Chain B Binding Site BS01

Receptor Information
>4pza Chain B (length=217) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RARRLVMLRHGQTDYNVGSRMQGQLDTELSELGRTQAVAAAEVLGKRQPL
LIVSSDLRRAYDTAVKLGERTGLVVRVDTRLRETHLGDWQGLTHAQIDAD
APGARLAWREDATWAPHGGESRVDVAARSRPLVAELVASEPEWGGADEPD
RPVVLVAHGGLIAALSAALLKLPVANWPALGGMGNASWTQLSGHWAPGSD
FESIRWRLDVWNASAQV
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 chain4pza Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pza Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
Resolution1.776 Å
Binding residue
(original residue number in PDB)		R10 H11 R60 E84 H159 G160
Binding residue
(residue number reindexed from 1)		R9 H10 R59 E83 H158 G159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H11 R60 E84
Catalytic site (residue number reindexed from 1) H10 R59 E83
Enzyme Commision number 3.1.3.70: mannosyl-3-phosphoglycerate phosphatase.
3.1.3.85: glucosyl-3-phosphoglycerate phosphatase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0050531 mannosyl-3-phosphoglycerate phosphatase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4pza, PDBe:4pza, PDBj:4pza
PDBsum4pza
PubMed24914210
UniProtP9WIC6|GPGP_MYCTO Glucosyl-3-phosphoglycerate phosphatase (Gene Name=gpgP)

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