Structure of PDB 1lk7 Chain C Binding Site BS01

Receptor Information
>1lk7 Chain C (length=229) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVEEMKKIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISD
IVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPNLNLIKGR
GAALTMEKIIEYRAGTFIVLVDERKLVDYLCQKMPVPIEVIPQAWKAIIE
ELSIFNAKAELRMGVNKDGPVITDNGNFIIDAKFPRIDDPLDMEIELNTI
PGVIENGIFADIADIVIVGTREGVKKLER
Ligand information
Ligand IDDER
InChIInChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3+/m0/s1
InChIKeyZCZXOHUILRHRQJ-STHAYSLISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@@H](CO[P](O)(O)=O)[C@@H](O)C(O)=O
FormulaC4 H9 O8 P
NameD-4-PHOSPHOERYTHRONIC ACID
ChEMBL
DrugBankDB01756
ZINC
PDB chain1lk7 Chain C Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lk7 A Hyperthermostable D-Ribose-5-Phosphate Isomerase from Pyrococcus horikoshii Characterization and Three-Dimensional Structure
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T28 S30 T31 G86 A87 D88 K98 G99 R100 G101 E107 K125
Binding residue
(residue number reindexed from 1)		T28 S30 T31 G86 A87 D88 K98 G99 R100 G101 E107 K125
Annotation score3
Enzymatic activity
Enzyme Commision number 5.3.1.6: ribose-5-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004751 ribose-5-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006014 D-ribose metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lk7, PDBe:1lk7, PDBj:1lk7
PDBsum1lk7
PubMed12057201
UniProtO50083|RPIA_PYRHO Ribose-5-phosphate isomerase A (Gene Name=rpiA)

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