Structure of PDB 4zda Chain B Binding Site BS01

Receptor Information
>4zda Chain B (length=735) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTIIYTLTDEAPLLATYAFLPVVRKFAEAAGIDVKTSDISVAARILAEFG
DHLTEEQRVPDNLGELGALTQDPSANIIKLPNISASVPQLLAAIKELQGK
GYNVPDYPANPKTDDEKKIKDRYAKILGSAVNPVLREGNSDRRAPKAVKE
YARKHPHSMGEWSQASRTHVATMKTGDFYHGEKSMTLDRDRRVKMVLKTK
SGEEIVLKPEVKLDAGDIIDSMYMSKKALIAFYEEQIEDAYKTGVMFSLH
VKATMMKVSHPIVFGHAVKVFYKDAFAKHEKLFDELGVNVNNGLSDLYDK
IEALPASQREEIIEDLHKCHEHRPELAMVDSAKGISNFHSPSDVIVDASM
PAMIRLGGKMYGADGRTKDTKAVNPESTFSRMYQEMINFCKTHGQFDPTT
MGTVPNVGLMAQKAEEYGSHDKTFEIPEDGVADIVDIDTGEVLLTQNVEE
GDIWRMPIVKDAPIRDWVKLAVTRARLSGMPVVFWLDTERPHEVELRKKV
KEYLKDHDTEGLKIQIMPQVWAMRYTLERVVRGKDTIAATGNILRDYLTD
LFPILELGTSAKMLSIVPLMAGGGLYETGAGGSAPKHVHQLVEENHLRWD
SLGEFLALGASLEDMGNKTGNEKAKVLAKALDTATGKLLEENKSPSRRTG
ELDNRGSQFYLSLFWAQALAEQTEDAELAERFKPLAKALAEQEEAIVSEL
NSVQGKTVDIGGYYYPDPEKTSEVMRPSKTFNTTL
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 chain4zda Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zda crystal structure of isocitrate dehydrogenase in complex with isocitrate and Mn from M. smegmatis
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D352 D551 D555
Binding residue
(residue number reindexed from 1)		D347 D546 D550
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4zda, PDBe:4zda, PDBj:4zda
PDBsum4zda
PubMed
UniProtA0QSZ3

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