Structure of PDB 6ajb Chain B Binding Site BS02
Receptor Information
>6ajb Chain B (length=411) Species:
5702
(Trypanosoma brucei brucei) [
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SNKISATGVLVELDGDEMTRVIWKKIKETLIFPFVNVPIEYYDLSMENRD
KTEDRVTVEAAYAIKKHGVGVKCATITPDEARVKEFNLKKMWRSPNGTIR
TILGGTVFREPIICSNVPRLVTTWKKPVVIGRHAFGDQYSATDAVVKEPG
TFEMRFIPANGGEPKVYKVFDYKSGGVMMGMYNTDDSIRDFARSCFEFAL
ARKWPLYLSTKNTILKHYDGRFKDIFAEMYKALYETKFKTCGIFYEHRLI
DDMVAHCMRSEGGYVWACKNYDGDVQSDSLAQGFGSLGMMTSILMTPDGK
TVEVEAAHGTVTRHYRDYQKGKETSTNPVASIFAWTRALAHRARVDNNNT
LLEFTQRLEDVIIATIEAGAMTEDLAICIKGEKNVVRADYLNTDEFIDAV
SQRLKVAMQKS
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
6ajb Chain B Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
6ajb
Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
D274 D278
Binding residue
(residue number reindexed from 1)
D274 D278
Annotation score
1
Enzymatic activity
Enzyme Commision number
1.1.1.42
: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0000287
magnesium ion binding
GO:0004450
isocitrate dehydrogenase (NADP+) activity
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
Biological Process
GO:0006099
tricarboxylic acid cycle
GO:0006102
isocitrate metabolic process
GO:0006739
NADP metabolic process
Cellular Component
GO:0005739
mitochondrion
GO:0020015
glycosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6ajb
,
PDBe:6ajb
,
PDBj:6ajb
PDBsum
6ajb
PubMed
UniProt
Q387G0
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