Structure of PDB 4djf Chain C Binding Site BS01

Receptor Information
>4djf Chain C (length=441) Species: 1525 (Moorella thermoacetica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLTGLEIYKQLPKKNCGECGTPTCLAFAMNLASGKASLDSCPYVSDAARE
ALDAAAAPPIAKVVLGAGPTAVEMGDETELFRHDKRFYHETAIAIQVSDN
LSSEELKAKVEAINGLNFDRVGQHYTIQAIAIRHDADDPAAFKAAVASVA
AATQLNLVLMADDPDVLKEALAGVADRKPLLYAATGANYEAMTALAKENN
CPLAVYGNGLEELAELVDKIVALGHKQLVLDPGARETSRAIADFTQIRRL
AIKKRFRSFGYPIIALTTAANPLDEVLQAVNYVTKYASLVVLRTDAKEHL
LPLLSWRQNLYTDPQVPIRVEEKLNEIGAVNENSPVYVTTNFSLTYYSVE
GEIESTKIPSYLLSVDTDGLSVLTAYADGKFEAEKIAAVMKKVDLDNKVK
RHRIIIPGAVAVLKGKLEDLTGWEVIVGPREASGIVAFARA
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4djf Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4djf Visualizing molecular juggling within a B12-dependent methyltransferase complex.
Resolution3.03 Å
Binding residue
(original residue number in PDB)		N16 C17 G18 E19 C20 C25 F28 C42 Y44
Binding residue
(residue number reindexed from 1)		N15 C16 G17 E18 C19 C24 F27 C41 Y43
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0031419 cobalamin binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015977 carbon fixation
GO:0044237 cellular metabolic process
GO:0046356 acetyl-CoA catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4djf, PDBe:4djf, PDBj:4djf
PDBsum4djf
PubMed22419154
UniProtQ07340|ACSC_MOOTH Corrinoid/iron-sulfur protein large subunit (Gene Name=acsC)

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