Structure of PDB 1cnz Chain A Binding Site BS01

Receptor Information
>1cnz Chain A (length=363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKNYHIAVLPGDGIGPEVMAQALKVMDAVRSRFDMRITTSHYDVGGIAI
DNHGHPLPKATVEGCEQADAILFGSVGGPKWENLPPESQPERGALLPLRK
HFKLFSNLRPAKLYQGLEAFCPLRADIAANGFDILCVRELTGGIYFGQPK
GREGSGQYEKAFDTEVYHRFEIERIARIAFESARKRRRKVTSIDKANVLQ
SSILWREIVNDVAKTYPDVELAHMYIDNATMQLIKDPSQFDVLLCSNLFG
DILSDECAMITGSMGMLPSASLNEQGFGLYEPAGGSAPDIAGKNIANPIA
QILSLALLLRYSLDANDAATAIEQAINRALEEGVRTGDLARGAAAVSTDE
MGDIIARYVAEGV
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1cnz Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cnz Crystal Structures of Eschericia Coli and Salmonella Typhimurium 3- Isopropylmalate Dehydrogenase and Comparison with Their Thermophilic Counterpart from Thermus Thermophilus
Resolution1.76 Å
Binding residue
(original residue number in PDB)		D251 D255
Binding residue
(residue number reindexed from 1)		D251 D255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y145 K195 D227 D251
Catalytic site (residue number reindexed from 1) Y145 K195 D227 D251
Enzyme Commision number 1.1.1.85: 3-isopropylmalate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003862 3-isopropylmalate dehydrogenase 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:0009098 L-leucine 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:1cnz, PDBe:1cnz, PDBj:1cnz
PDBsum1cnz
PubMed9086278
UniProtP37412|LEU3_SALTY 3-isopropylmalate dehydrogenase (Gene Name=leuB)

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