Structure of PDB 2vvq Chain A Binding Site BS02

Receptor Information
>2vvq Chain A (length=156) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMRVYLGADHAGYELKQRIIEHLKQTGHEPIDCGALRYDADDDYPAFCIA
AATRTVADPGSLGIVLGGSGNGEQIAANKVPGARCALAWSVQTAALAREH
NNAQLIGIGGRMHTVAEALAIVDAFVTTPWSKAQRHQRRIDILAEYERTH
EAPPVP
Ligand information
Ligand IDR10
InChIInChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4-/m1/s1
InChIKeyHNECGPFIYSOYHF-BXXZVTAOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(=O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O
FormulaC5 H11 O9 P
Name5-O-phosphono-D-ribonic acid
ChEMBL
DrugBank
ZINCZINC000012502993
PDB chain2vvq Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vvq D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H102 R137 R141
Binding residue
(residue number reindexed from 1)		H100 R135 R139
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D11 G69 S71 H102 H138
Catalytic site (residue number reindexed from 1) D9 G67 S69 H100 H136
Enzyme Commision number 5.3.1.6: ribose-5-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004751 ribose-5-phosphate isomerase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0019316 D-allose catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vvq, PDBe:2vvq, PDBj:2vvq
PDBsum2vvq
PubMed18640127
UniProtP9WKD7|RPIB_MYCTU Ribose-5-phosphate isomerase B (Gene Name=rpiB)

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