Structure of PDB 7ugh Chain A Binding Site BS01

Receptor Information
>7ugh Chain A (length=436) Species: 5763 (Naegleria fowleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAVNRVDKLVGREILDSRGNPTVEVDVYANGQKRPVATASAPSGASTGSN
EAHELRDGDKSRYLGKGVLKAVKNVNDVLGKAVEGKSLENLTELDQALID
ADGDELKSNLGGNAITACSFALATAGAAVRNEELFLYLARAFHGADKFEN
LKFRLPTPMVNILNGGKHAGGRLQIQEFMILPKENQPFREKVRCVAEVYQ
HLGKILAERAGPSAKNVGDEGGFAPNLETADEALNYIEEAIGKAGYKVGE
DVFLALDAASSEFYNSDTKKYEITQQKEFLTSEEMVEYYVQLVNRHPAII
SIEDGLEEKDYEGWKLLTERLGSKIMLVGDDLYTTNTRLIKQGIEEKWAN
ALLLKVNQIGTITEAMNAARMIFNVGQKVIVSHRSGETATTLISDLVVGI
GATHIKTGATARGERVSKYNRLLQIEEYLEQHGLLA
Ligand information
Ligand ID2PG
InChIInChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyGXIURPTVHJPJLF-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CO
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)OP(=O)(O)O)O
CACTVS 3.341OC[C@@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341OC[CH](O[P](O)(O)=O)C(O)=O
FormulaC3 H7 O7 P
Name2-PHOSPHOGLYCERIC ACID
ChEMBL
DrugBankDB01709
ZINCZINC000003869232
PDB chain7ugh Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ugh Crystal Structure of enolase family protein from Naegleria fowleri with bound 2-phosphoglyceric acid
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G120 A121 E253 D406 K431 H459 R460 S461
Binding residue
(residue number reindexed from 1)		G44 A45 E177 D330 K355 H383 R384 S385
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0016829 lyase activity
Biological Process
GO:0006096 glycolytic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ugh, PDBe:7ugh, PDBj:7ugh
PDBsum7ugh
PubMed
UniProtA0A6A5BXC3

[Back to BioLiP]