Structure of PDB 2b0t Chain A Binding Site BS01

Receptor Information
>2b0t Chain A (length=735) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKIIWTRTDEAPLLATYSLKPVVEAFAATAGIEVETRDISLAGRILAQFP
ERLTEDQKVGNALAELGELAKTPEANIIKLPNISASVPQLKAAIKELQDQ
GYDIPELPDNATTDEEKDILARYNAVKGSAVNPVLREGNSDRRAPIAVKN
FVKKFPHRMGEWSADSKTNVATMDANDFRHNEKSIILDAADEVQIKHIAA
DGTETILKDSLKLLEGEVLDGTVLSAKALDAFLLEQVARAKAEGILFSAH
LKATMMKVSDPIIFGHVVRAYFADVFAQYGEQLLAAGLNGENGLAAILSG
LESLDNGEEIKAAFEKGLEDGPDLAMVNSARGITNLHVPSDVIVDASMPA
MIRTSGHMWNKDDQEQDTLAIIPDSSYAGVYQTVIEDCRKNGAFDPTTMG
TVPNVGLMAQKAEEYGSHDKTFRIEADGVVQVVSSNGDVLIEHDVEANDI
WRACQVKDAPIQDWVKLAVTRSRLSGMPAVFWLDPERAHDRNLASLVEKY
LADHDTEGLDIQILSPVEATQLSIDRIRRGEDTISVTGNVLRDYNTDLFP
ILELGTSAKMLSVVPLMAGGGLFETGAGGSAPKHVQQVQEENHLRWDSLG
EFLALAESFRHELNNNGNTKAGVLADALDKATEKLLNEEKSPSRKVGEID
NRGSHFWLTKFWADELAAQTEDADLAATFAPVAEALNTGAADIDAALLAV
QGGATDLGGYYSPNEEKLTNIMRPVAQFNEIVDAL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2b0t Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b0t Substrate-free structure of a monomeric NADP isocitrate dehydrogenase: An open conformation phylogenetic relationship of isocitrate dehydrogenase.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D346 D544 D548
Binding residue
(residue number reindexed from 1)		D345 D543 D547
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2b0t, PDBe:2b0t, PDBj:2b0t
PDBsum2b0t
PubMed16416443
UniProtP50216|IDH_CORGL Isocitrate dehydrogenase [NADP] (Gene Name=icd)

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