Structure of PDB 3gp3 Chain D Binding Site BS02

Receptor Information
>3gp3 Chain D (length=230) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYKLVLIRHGESTWNKENRFTGWVDVDLTEQGNREARQAGQLLKEAGYTF
DIAYTSVLKRAIRTLWHVQDQMDLMYVPVVHSWRLNERHYGALSGLNKAE
TAAKYGDEQVLVWRRSYDTPPPALEPGDERAPYADPRYAKVPREQLPLTE
CLKDTVARVLPLWNESIAPAVKAGKQVLIAAHGNSLRALIKYLDGISDAD
IVGLNIPNGVPLVYELDESLTPIRHYYLGD
Ligand information
Ligand IDSEP
InChIInChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKeyBZQFBWGGLXLEPQ-REOHCLBHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](CO[P](O)(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)OP(=O)(O)O
FormulaC3 H8 N O6 P
NamePHOSPHOSERINE;
PHOSPHONOSERINE
ChEMBLCHEMBL284377
DrugBankDB04522
ZINCZINC000003869280
PDB chain3gp3 Chain D Residue 253 [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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PDB3gp3 An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F20 T21 E87 Y90 K98 R114 R115 N184
Binding residue
(residue number reindexed from 1)		F20 T21 E87 Y90 K98 R114 R115 N184
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H9 R60 E87 H182
Catalytic site (residue number reindexed from 1) H9 R60 E87 H182
Enzyme Commision number 5.4.2.11: phosphoglycerate mutase (2,3-diphosphoglycerate-dependent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004619 phosphoglycerate mutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046538 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gp3, PDBe:3gp3, PDBj:3gp3
PDBsum3gp3
PubMed21904048
UniProtQ3JWH7|GPMA_BURP1 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase (Gene Name=gpmA)

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