Structure of PDB 3mmc Chain D Binding Site BS02

Receptor Information
>3mmc Chain D (length=417) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SETPLLDELEKGPWPSFVKEIKKTAELMEKAAAEGKDVKMPKGARGLLKQ
LEISYKDKKTHWKHGGIVSVVGYGGGVIGRYSDLGEQIPEVEHFHTMRIN
QPSGWFYSTKALRGLCDVWEKWGSGLTNFHGSTGDIIFLGTRSEYLQPCF
EDLGNLEIPFDIGGSGSDLRTPSACMGPALCEFACYDTLELCYDLTMTYQ
DELHRPMWPYKFKIKCAGCPNDCVASKARSDFAIIGTWKDDIKVDQEAVK
EYASWMDIENEVVKLCPTGAIKWDGKELTIDNRECVRCMHCINKMPKALK
PGDERGATILIGGKAPFVEGAVIGWVAVPFVEVEKPYDEIKEILEAIWDW
WDEEGKFRERIGELIWRKGMREFLKVIGREADVRMVKAPRNNPFMFFEKD
ELKPSAYTEELKKRGMW
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 chain3mmc Chain D Residue 575 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mmc Structure of the dissimilatory sulfite reductase from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		C175 C181 F183 A184 G218 C219 N221 C223
Binding residue
(residue number reindexed from 1)		C175 C181 F183 A184 G218 C219 N221 C223
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.1.22: dissimilatory sulfite reductase.
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)
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mmc, PDBe:3mmc, PDBj:3mmc
PDBsum3mmc
PubMed18495156
UniProtQ59109|DSRA_ARCFU Sulfite reductase, dissimilatory-type subunit alpha (Gene Name=dsrA)

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