Structure of PDB 5dii Chain B Binding Site BS01

Receptor Information
>5dii Chain B (length=196) Species: 502025 (Haliangium ochraceum DSM 14365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERFDATPPAGEPDRPALGVLELTSIARGITVADAALKRAPSLLLMSRPVC
SGKHLLMMRGQVAEVEESMIAAREIAGAGSGALLDELELPYAHEQLWRFL
DAPVVADAWESVIIVETATVCAAIDSADAALKTAPVVLRDMRLAIGIAGK
AFFTLTGELADVEAAAEVVRERCGARLLELACIARPVDELRGRLFF
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 chain5dii Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dii Structure and Function of a Bacterial Microcompartment Shell Protein Engineered to Bind a [4Fe-4S] Cluster.
Resolution1.804 Å
Binding residue
(original residue number in PDB)		C55 A157
Binding residue
(residue number reindexed from 1)		C50 A148
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0031469 bacterial microcompartment

View graph for
Cellular Component
External links
PDB RCSB:5dii, PDBe:5dii, PDBj:5dii
PDBsum5dii
PubMed26704697
UniProtD0LHE3|BMCT1_HALO1 Bacterial microcompartment protein trimer-1 (Gene Name=Hoch_5812)

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