Structure of PDB 1cw4 Chain A Binding Site BS01
Receptor Information
>1cw4 Chain A (length=415) Species:
562
(Escherichia coli) [
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ESKVVVPAQGKKITLQNGKLNVPENPIIPYIEGDGIGVDVTPAMLKVVDA
AVEKAYKGERKISWMEIYTGEKSTQVYGQDVWLPAETLDLIREYRVAIKG
PLTTPVGGGIRSLNVALRQELDLYICLRPVRYYQGTPSPVKHPELTDMVI
FRENSEDIYAGIEWKADSADAEKVIKFLREEMGVKKIRFPEHCGIGIKPC
SEEGTKRLVRAAIEYAIANDRDSVTLVHMGNIMKFTEGAFKDWGYQLARE
EFGGELIDGGPWLKVKNPNTGKEIVIKDVIADAFLQQILLRPAEYDVIAC
MNLNGDYISDALAAQVGGIGIAPGANIGDECALFEATHGTAPKYAGQDKV
NPGSIILSAEMMLRHMGWTEAADLIVKGMEGAINAKTVTYDFERLMDGAK
LLKCSEFGDAIIENM
Ligand information
Ligand ID
MN
InChI
InChI=1S/Mn/q+2
InChIKey
WAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341
[Mn++]
Formula
Mn
Name
MANGANESE (II) ION
ChEMBL
DrugBank
DB06757
ZINC
PDB chain
1cw4 Chain A Residue 418 [
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Receptor-Ligand Complex Structure
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PDB
1cw4
Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D307 D311
Binding residue
(residue number reindexed from 1)
D306 D310
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Y160 M230 D283 D307 D311
Catalytic site (residue number reindexed from 1)
Y159 M229 D282 D306 D310
Enzyme Commision number
1.1.1.42
: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004450
isocitrate dehydrogenase (NADP+) activity
GO:0005515
protein binding
GO:0016491
oxidoreductase activity
GO:0016616
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872
metal ion binding
GO:0051287
NAD binding
GO:0097216
guanosine tetraphosphate binding
Biological Process
GO:0006097
glyoxylate cycle
GO:0006099
tricarboxylic acid cycle
GO:0006979
response to oxidative stress
GO:0022900
electron transport chain
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1cw4
,
PDBe:1cw4
,
PDBj:1cw4
PDBsum
1cw4
PubMed
10623532
UniProt
P08200
|IDH_ECOLI Isocitrate dehydrogenase [NADP] (Gene Name=icd)
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