Structure of PDB 1itw Chain A Binding Site BS01

Receptor Information
>1itw Chain A (length=740) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPKIIYTLTDEAPALATYSLLPIIKAFTGSSGIAVETRDISLAGRLIAT
FPEYLTDTQKISDDLAELGKLATTPDANIIKLPNISASVPQLKAAIKELQ
QQGYKLPDYPEEPKTDTEKDVKARYDKIKGSAVNPVLREGNSDRRAPLSV
KNYARKHPHKMGAWSADSKSHVAHMDNGDFYGSEKAALIGAPGSVKIELI
AKDGSSTVLKAKTSVQAGEIIDSSVMSKNALRNFIAAEIEDAKKQGVLLS
VHLKATMMKVSDPIMFGQIVSEFYKDALTKHAEVLKQIGFDVNNGIGDLY
ARIKTLPEAKQKEIEADIQAVYAQRPQLAMVNSDKGITNLHVPSDVIVDA
SMPAMIRDSGKMWGPDGKLHDTKAVIPDRCYAGVYQVVIEDCKQHGAFDP
TTMGSVPNVGLMAQKAEEYGSHDKTFQIPADGVVRVTDESGKLLLEQSVE
AGDIWRMCQAKDAPIQDWVKLAVNRARATNTPAVFWLDPARAHDAQVIAK
VERYLKDYDTSGLDIRILSPVEATRFSLARIREGKDTISVTGNVLRDYLT
DLFPIMELGTSAKMLSIVPLMSGGGLFETGAGGSAPKHVQQFLEEGYLRW
DSLGEFLALAASLEHLGNAYKNPKALVLASTLDQATGKILDNNKSPARKV
GEIDNRGSHFYLALYWAQALAAQTEDKELQAQFTGIAKALTDNETKIVGE
LAAAQGKPVDIAGYYHPNTDLTSKAMRPSATFNAALAPLA
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 chain1itw Chain A Residue 742 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1itw Structure of the Monomeric Isocitrate Dehydrogenase: Evidence of a Protein Monomerization by a Domain Duplication
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D350 D548
Binding residue
(residue number reindexed from 1)		D349 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:1itw, PDBe:1itw, PDBj:1itw
PDBsum1itw
PubMed12467571
UniProtP16100|IDH_AZOVI Isocitrate dehydrogenase [NADP] (Gene Name=icd)

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