Structure of PDB 6m1x Chain D Binding Site BS01

Receptor Information
>6m1x Chain D (length=192) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKLILIRHGETEWNLLGKIQGCTDIELTPNGIQQANEVAQQIKGNFDII
YSSPLHRALITAQKIAGDKEVHLIEGMKEIPFGTWEGHTFEELNGDINYK
KFLSGEDGCPFDSTGMSIASWSKKNAQLLLDLCKQNENKTIVCVSHGAWI
KTSILGLLEMEPTMYHKFQLGNTGITTFIFRHGHPVLTSFNS
Ligand information
Ligand ID3PG
InChIInChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyOSJPPGNTCRNQQC-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(=O)O
FormulaC3 H7 O7 P
Name3-PHOSPHOGLYCERIC ACID
ChEMBLCHEMBL1160563
DrugBankDB04510
ZINCZINC000003869934
PDB chain6m1x Chain D Residue 301 [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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PDB6m1x Structural analysis of EhPSP in complex with 3-phosphoglyceric acid from Entamoeba histolytica reveals a basis for its lack of phosphoglycerate mutase activity.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		R8 H9 N15 K19 I20 Q21 R57 E79 F90
Binding residue
(residue number reindexed from 1)		R8 H9 N15 K19 I20 Q21 R57 E79 F90
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016791 phosphatase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6m1x, PDBe:6m1x, PDBj:6m1x
PDBsum6m1x
PubMed33631257
UniProtC4M5P9

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