Structure of PDB 3or2 Chain D Binding Site BS01

Receptor Information
>3or2 Chain D (length=435) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHPTPMLDELEKGPWPSFVSDIKQECDNRAKNPKGLDYQIPAECPDDLLG
ILELSFHEGETHWKHGGIVGVFGYGGGVIGRYCDQPEMFPGVAHFHTVRL
AQPAAKYYTAEYLEAICDVWDLRGSGLTNMHGSTGDIVLLGTQTPQLEEI
FFEMTHNLNTDLGGSGSNLRTPESCLGISRCEFACYDTQLMCYQLTQDYQ
DELHRPAFPYKFKFKFDGCPNGCVASMARSDFAVIGTWKDDIKIDQEAVK
AYVGGEFKPNAGAHAGRDWGKFDIEAEVVGLCPTGCMTYESGTLSIDNKN
CTRCMHCINTMPRALKIGDERGASILVGAKAPVLDGAQMGSLLIPFIAAE
EPFDEVKEVIENIWEWWMEEGKNRERLGETMKRVGFQKLLEVTGTKAVPQ
HVSEPRHNPYIFFKEEEVPGGWSRDISDYRKRHMR
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 D Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3or2 Dissimilatory Sulfite Reductase, Sulfate Reduction
Resolution2.05 Å
Binding residue
(original residue number in PDB)		C284 P285 C288 M289 C303 T304 R305 C306 M307 C309
Binding residue
(residue number reindexed from 1)		C282 P283 C286 M287 C301 T302 R303 C304 M305 C307
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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
Cellular Component
GO:0009337 sulfite reductase complex (NADPH)

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3or2, PDBe:3or2, PDBj:3or2
PDBsum3or2
PubMed
UniProtE2QR97

[Back to BioLiP]