Structure of PDB 1aw1 Chain A Binding Site BS01

Receptor Information
>1aw1 Chain A (length=255) Species: 90736 (Moritella marina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHPVVMGNWKLNGSKEMVVDLLNGLNAELEGVTGVDVAVAPPALFVDLAE
RTLTEAGSAIILGAQNTDLNNSGAFTGDMSPAMLKEFGATHIIIGHSERR
EYHAESDEFVAKKFAFLKENGLTPVLCIGESDAQNEAGETMAVCARQLDA
VINTQGVEALEGAIIAYEPIWAIGTGKAATAEDAQRIHAQIRAHIAEKSE
AVAKNVVIQYGGSVKPENAAAYFAQPDIDGALVGGAALDAKSFAAIAKAA
AEAKA
Ligand information
Ligand IDPGA
InChIInChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKeyASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(=O)O
FormulaC2 H5 O6 P
Name2-PHOSPHOGLYCOLIC ACID
ChEMBLCHEMBL47181
DrugBankDB02726
ZINCZINC000003869735
PDB chain1aw1 Chain A Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aw1 Triose-phosphate isomerase (TIM) of the psychrophilic bacterium Vibrio marinus. Kinetic and structural properties.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		K11 H97 E169 L233 G235 G236
Binding residue
(residue number reindexed from 1)		K10 H96 E168 L232 G234 G235
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=1.05,Ki=89mM
Enzymatic activity
Catalytic site (original residue number in PDB) N9 K11 H97 E99 E169 G175 S214
Catalytic site (residue number reindexed from 1) N8 K10 H96 E98 E168 G174 S213
Enzyme Commision number 5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0019563 glycerol catabolic process
GO:0046166 glyceraldehyde-3-phosphate biosynthetic 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:1aw1, PDBe:1aw1, PDBj:1aw1
PDBsum1aw1
PubMed9442062
UniProtP50921|TPIS_MORMI Triosephosphate isomerase (Gene Name=tpiA)

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