Structure of PDB 2xsj Chain E Binding Site BS02

Receptor Information
>2xsj Chain E (length=385) Species: 52561 (Desulfomicrobium norvegicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFVSSGYNPEKPMENRISDIGPRHASDFFPPVIAKNKGQWLWHEICEPGI
LMHKAESGDEVYTVRCGGARLMSVGHIREICAIADKFCGGHLRFTTRNNI
EFMVTTLDEAKKLKEYLNAQKFEGGSFKFPVGGTGAGITNIVHTQGWVHC
HTPATDASGTVKVVLDELFEEFGQMRMPAQVRISMACCLNMCGAVHCSDI
AILGYHRKPPVIDHEWLDNLCEIPLAVAACPVGAIRPTKKEIVTEKGETK
TVNTVAIKNERCMFCGNCYTMCPSLPLSDQTGDGLVIMAGGKVSNRISNP
KFSKVVVAFIPNEPPRWPRLASVIRQIVEAYAADARKYERVGDWAERIGW
ERFFEKCELDFSIHMIDDFRDPAYYTWRQTTNFKF
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 chain2xsj Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xsj Structural Insights Into Dissimilatory Sulfite Reductases: Structure of Desulforubidin from Desulfomicrobium Norvegicum
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C231 I236 C263 M264 F265 C266 G267 C269
Binding residue
(residue number reindexed from 1)		C230 I235 C262 M263 F264 C265 G266 C268
Annotation score4
Enzymatic activity
Enzyme Commision number 1.8.99.3: Transferred entry: 1.8.99.5.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0018551 dissimilatory sulfite reductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006790 sulfur compound metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2xsj, PDBe:2xsj, PDBj:2xsj
PDBsum2xsj
PubMed21833321
UniProtQ93UT0

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