Structure of PDB 3or2 Chain B Binding Site BS04

Receptor Information
>3or2 Chain B (length=385) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFISSGYNPAKPMENRITDIGPRKFTEFFPPVIAKNAGNWDYHEILEPGI
LVHVAKNGDKVFTVRCGAARLMSTSHIREACEIAKKFCNGHLRFTTRNNI
EFMVDNEETLKALVADLKTRKFAAGSFKFPIGGTGASISNIVHTQGWVYC
HTPATDASGPVKAVMDELFEEFTSMRLPAIVRVSLACCINMCGAVHCSDI
GLVGIHRKPPMIDHENLAELCEIPLAVAACPTAAVKPITAEVNGQKVKSV
AINNDRCMYCGNCYTMCPALPLSDGTGDGIAIMVGGKISNRIKVPSFSKV
VVAFVPNEPPRWPTMAKIVKKIVEVYAEDARKYERIGDWIHRIGWETFYE
KTGLEFSHHCIDDFRDPAYYTWRQSTQFKFVSFDS
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 chain3or2 Chain B Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3or2 Dissimilatory Sulfite Reductase, Sulfate Reduction
Resolution2.05 Å
Binding residue
(original residue number in PDB)		P211 C231 A235 I253 C258 M259 Y260 C261 G262 C264
Binding residue
(residue number reindexed from 1)		P210 C230 A234 I252 C257 M258 Y259 C260 G261 C263
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016002 sulfite reductase activity
GO:0016491 oxidoreductase activity
GO:0018551 dissimilatory sulfite reductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050311 sulfite reductase (ferredoxin) activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0000103 sulfate assimilation
GO:0006790 sulfur compound metabolic process
Cellular Component
GO:0009337 sulfite reductase complex (NADPH)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3or2, PDBe:3or2, PDBj:3or2
PDBsum3or2
PubMed
UniProtE2QR96

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