Structure of PDB 3qtp Chain A Binding Site BS01

Receptor Information
>3qtp Chain A (length=438) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMSIQKVHAREILDSRGNPTIEVEITTGKGMFRSCVPSGASTGVHEAVE
LRDGDKKRYGGKGVLKAVENVNTIIGPALLGKNVLNQAELDEMMIKLDGT
NNKGKLGANAILGCSMSICRAAAAEKGLPLYKYLAELTGHKEMTMPVPCF
NVINGGAHAGNALAMQEFMICPTGATNFHEALRMAAETYQCLKVVIKAKY
GQDATNVGDEGGFAPNVSGAREALDLLVEAIAKAGYTGKIEIAMDCAASE
FYNEETKKYDLGKKIPADKKDPSLVKDVDGLIAEYVDYGKHYPIASIEDP
FAEDDWAAWNKFTVEHGNFQIVGDDLLVTNPARVQMAMDKNACNSVLIKV
NQIGTLTETFKTIKMAQEKGWGVMASHRSGETEDTFIADLVVGLNCKQIK
TGAPCRSERLCKYNQLMRIEEELGNIPYAGKNWRNSTA
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 chain3qtp Chain A Residue 437 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qtp Structure analysis of Entamoeba histolytica enolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q164 E208 K347 H375 R376 S377
Binding residue
(residue number reindexed from 1)		Q166 E210 K349 H377 R378 S379
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S40 H156 E165 E208 D243 E296 D322 K347 H375 K398
Catalytic site (residue number reindexed from 1) S42 H158 E167 E210 D245 E298 D324 K349 H377 K400
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:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3qtp, PDBe:3qtp, PDBj:3qtp
PDBsum3qtp
PubMed21697600
UniProtP51555|ENO_ENTH1 Enolase 1 (Gene Name=ENO)

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