Structure of PDB 1amk Chain A Binding Site BS01
Receptor Information
>1amk Chain A (length=250) Species:
5665
(Leishmania mexicana) [
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SAKPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPL
VQAKLRNPKYVISAENAIAKSGAFTGEVSMPILKDIGVHWVILGHSERRT
YYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAI
AAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGT
DVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPEFRDIIDATR
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
1amk Chain A Residue 600 [
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Receptor-Ligand Complex Structure
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PDB
1amk
Structural and mutagenesis studies of leishmania triosephosphate isomerase: a point mutation can convert a mesophilic enzyme into a superstable enzyme without losing catalytic power.
Resolution
1.83 Å
Binding residue
(original residue number in PDB)
K13 H95 E167 I172 G173 G212 S213 G234 G235
Binding residue
(residue number reindexed from 1)
K13 H95 E167 I172 G173 G212 S213 G234 G235
Annotation score
2
Binding affinity
MOAD
: Ki=0.05mM
PDBbind-CN
: -logKd/Ki=4.30,Ki=50uM
Enzymatic activity
Catalytic site (original residue number in PDB)
N11 K13 H95 E97 E167 G173 S213
Catalytic site (residue number reindexed from 1)
N11 K13 H95 E97 E167 G173 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
GO:0020015
glycosome
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1amk
,
PDBe:1amk
,
PDBj:1amk
PDBsum
1amk
PubMed
10235625
UniProt
P48499
|TPIS_LEIME Triosephosphate isomerase
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