Structure of PDB 3gyx Chain J Binding Site BS02

Receptor Information
>3gyx Chain J (length=166) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTYVDPSKCDGCKGGEKTACMYICPNDLMILDPEEMKAFNQEPEACWECY
SCIKICPQGAITARPYADFAPMGGTCIPLRGSEDIMWTIKFRNGSVKRFK
FPIRTTPEGSIKPFEGKPEAGDLENELLFTETALTVPQVALGQKAQIADA
ETSQCWFDLPCEGGNR
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 chain3gyx Chain J Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gyx Crystal structure of Adenylylsulfate reductase from Desulfovibrio gigas suggests a potential self-regulation mechanism involving the C terminus of the beta-subunit
Resolution3.2 Å
Binding residue
(original residue number in PDB)		V5 C10 D11 G12 C13 C21 A39 C57 I62
Binding residue
(residue number reindexed from 1)		V4 C9 D10 G11 C12 C20 A38 C56 I61
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W48
Catalytic site (residue number reindexed from 1) W47
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0019420 dissimilatory sulfate reduction
GO:0051290 protein heterotetramerization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3gyx, PDBe:3gyx, PDBj:3gyx
PDBsum3gyx
PubMed19820092
UniProtT2G899|APRB_MEGG1 Adenylylsulfate reductase subunit beta (Gene Name=aprB)

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