Structure of PDB 1gt7 Chain R Binding Site BS02

Receptor Information
>1gt7 Chain R (length=274) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQNITQSWFVQGMIKATTDAWLKGWDERNGGNLTLRLDDADIAPYHDNFH
QQPRYIPLSQPMPLLANTPFIVTGSGKFFRNVQLDPAANLGIVKVDSDGA
GYHILWGLTNEAVPTSELPAHFLSHCERIKATNGKDRVIMHCHATNLIAL
TYVLENDTAVFTRQLWEGSTECLVVFPDGVGILPWMVPGTDEIGQATAQE
MQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAQVLVKVYSMGGMKQT
ISREELIALGKRFGVTPLASALAL
Ligand information
Ligand IDPGH
InChIInChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKeyBAXHHWZKQZIJID-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(=O)NO
OpenEye OEToolkits 1.5.0C(C(=O)NO)OP(=O)(O)O
CACTVS 3.341ONC(=O)CO[P](O)(O)=O
FormulaC2 H6 N O6 P
NamePHOSPHOGLYCOLOHYDROXAMIC ACID
ChEMBLCHEMBL371668
DrugBankDB03026
ZINC
PDB chain1gt7 Chain R Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gt7 The Structure of L-Rhamnulose-1-Phosphate Aldolase (Class II) Solved by Low-Resolution Sir Phasing and 20-Fold Ncs Averaging
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N29 G30 G31 N32 S75 G76 T115 S116 E117 H141 H143 H212
Binding residue
(residue number reindexed from 1)		N29 G30 G31 N32 S75 G76 T115 S116 E117 H141 H143 H212
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) E117 H141 H143 E171 H212
Catalytic site (residue number reindexed from 1) E117 H141 H143 E171 H212
Enzyme Commision number 4.1.2.19: rhamnulose-1-phosphate aldolase.
Gene Ontology
Molecular Function
GO:0008994 rhamnulose-1-phosphate aldolase activity
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0016832 aldehyde-lyase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0019299 rhamnose metabolic process
GO:0019301 rhamnose catabolic process
GO:0019323 pentose catabolic process
Cellular Component
GO:0005737 cytoplasm
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:1gt7, PDBe:1gt7, PDBj:1gt7
PDBsum1gt7
PubMed11976494
UniProtP32169|RHAD_ECOLI Rhamnulose-1-phosphate aldolase (Gene Name=rhaD)

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