Structure of PDB 3enw Chain B Binding Site BS01

Receptor Information
>3enw Chain B (length=217) Species: 672 (Vibrio vulnificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQDEMKKAAGWAALKYVEKGSIVGVGTGSTVNHFIDALGTMSEEIKGAVS
SSVASTEKLEALGIKIFDCNEVASLDIYVDGADEINADREMIKGGGAALT
REKIVAAIADKFICIVDGTKAVDVLGTFPLPVEVIPMARSYVARQLVKLG
GDPCYREGVITDNGNVILDVYGMKITNPKQLEDQINAIPGVVTVGLFAHR
GADVVITGTPEGAKIEE
Ligand information
Ligand ID5RP
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
InChIKeyFNZLKVNUWIIPSJ-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.341OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBULOSE-5-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000001532567
PDB chain3enw Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3enw Crystal structures of substrate and inhibitor complexes of ribose 5-phosphate isomerase A from Vibrio vulnificus YJ016
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K7 T28 S30 T31 G82 A83 D84 A98 E103 K121
Binding residue
(residue number reindexed from 1)		K6 T27 S29 T30 G81 A82 D83 A97 E102 K120
Annotation score5
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:3enw, PDBe:3enw, PDBj:3enw
PDBsum3enw
PubMed19214439
UniProtQ7MHL9|RPIA_VIBVY Ribose-5-phosphate isomerase A (Gene Name=rpiA)

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