Structure of PDB 2pty Chain A Binding Site BS01

Receptor Information
>2pty Chain A (length=431) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMTIQKVHGREVLDSRGNPTVEVEVTTEKGVFRSAVPSGASTGVYEACE
LRDGDKKRYVGKGCLQAVKNVNEVIGPALIGRDELKQEELDTLMLRLDGT
PNKGKLGANAILGCSMAISKAAAAAKGVPLYRYLASLAGTKELRLPVPCF
NVINGGKHAGNALPFQEFMIAPVKATSFSEALRMGSEVYHSLRGIIKKKY
GQDAVNVGDEGGFAPPIKDINEPLPILMEAIEEAGHRGKFAICMDCAASE
TYDEKKQQYNLTFKSPEPTWVTAEQLRETYCKWAHDYPIVSIEDPYDQDD
FAGFAGITEALKGKTQIVGDDLTVTNTERIKMAIEKKACNSLLLKINQIG
TISEAIASSKLCMENGWSVMVSHRSGETEDTYIADLVVALGSGQIKTGAP
CRGERTAKLNQLLRIEEELGAHAKFGFPGWS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2pty Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pty Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D243 E291 D318
Binding residue
(residue number reindexed from 1)		D245 E293 D320
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) S42 H158 E167 E210 D245 E293 D320 K345 H373 K396
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:2pty, PDBe:2pty, PDBj:2pty
PDBsum2pty
PubMed17822439
UniProtQ38BV6

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