Structure of PDB 2ptw Chain A Binding Site BS02

Receptor Information
>2ptw Chain A (length=406) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMTIQKVHGREVLDSRGNPTVEVEVTTEKGVFRSAVPSGASTGVYEACEL
RDGDKKRYVGKGCLQAVKNVNEVIGPALIGRDELKQEELDTLMLRLDGTP
NKGKLGANAILGCSMAISKAAAAAKGVPLYRYLASLAGTKELRLPVPCFN
VINGGKHAGNALPFQEFMIAPVKATSFSEALRMGSEVYHSLRGIIKKKYG
QDAVNVGDEGGFAPPIKDINEPLPILMEAIEEAGHRGKFAICMDCAASET
YRETYCKWAHDYPIVSIEDPYDQDDFAGFAGITEALKGKTQIVGDDLTVT
NTERIKMAIEKKACNSLLLKINQIGTISEAIASSKLCMENGWSVMVSHRS
GETEDTYIADLVVALGSGQIKTGAPCRGERTAKLNQLLRIEEELGAHAKF
GFPGWS
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2ptw Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ptw Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G38 R372 S373
Binding residue
(residue number reindexed from 1)		G39 R349 S350
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S40 H156 E165 E208 D243 E291 D318 K343 H371 K394
Catalytic site (residue number reindexed from 1) S41 H157 E166 E209 D244 E268 D295 K320 H348 K371
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
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ptw, PDBe:2ptw, PDBj:2ptw
PDBsum2ptw
PubMed17822439
UniProtQ38BV6

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