Structure of PDB 1aw1 Chain D Binding Site BS01
Receptor Information
>1aw1 Chain D (length=255) Species:
90736
(Moritella marina) [
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RHPVVMGNWKLNGSKEMVVDLLNGLNAELEGVTGVDVAVAPPALFVDLAE
RTLTEAGSAIILGAQNTDLNNSGAFTGDMSPAMLKEFGATHIIIGHSERR
EYHAESDEFVAKKFAFLKENGLTPVLCIGESDAQNEAGETMAVCARQLDA
VINTQGVEALEGAIIAYEPIWAIGTGKAATAEDAQRIHAQIRAHIAEKSE
AVAKNVVIQYGGSVKPENAAAYFAQPDIDGALVGGAALDAKSFAAIAKAA
AEAKA
Ligand information
Ligand ID
PGA
InChI
InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
ASCFNMCAHFUBCO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0
C(C(=O)O)OP(=O)(O)O
ACDLabs 10.04
O=P(O)(O)OCC(=O)O
Formula
C2 H5 O6 P
Name
2-PHOSPHOGLYCOLIC ACID
ChEMBL
CHEMBL47181
DrugBank
DB02726
ZINC
ZINC000003869735
PDB chain
1aw1 Chain D Residue 290 [
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Receptor-Ligand Complex Structure
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PDB
1aw1
Triose-phosphate isomerase (TIM) of the psychrophilic bacterium Vibrio marinus. Kinetic and structural properties.
Resolution
2.7 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 score
2
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
PDBsum
1aw1
PubMed
9442062
UniProt
P50921
|TPIS_MORMI Triosephosphate isomerase (Gene Name=tpiA)
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