Structure of PDB 4jc0 Chain A Binding Site BS01

Receptor Information
>4jc0 Chain A (length=424) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVGIKVLGCPKNEADCEVLAGVLREGGHEIVFDVKDADVVVLDTCAFIED
AKRESIDEIFSFVDAKDQYGYKLVVKGCLVQRYYEELKKEIPEVDQWIGV
ADPEEIANAIETDLVPDRYRKRIDLEERPYAYVKISDGCDRGCTFCSIPS
FKGSLRSRSIEDITREVEDLLKEGKKEIILVAQDTTSYGIDLYRKQALPD
LLRRLNSLNGEFWIRVMYLHPDHLTEEIISAMLELDKVVKYFDVPVQHGS
DKILKLMGRTKSSEELKKMLSSIRERFPDAVLRTSIIVGFPGETEEDFEE
LKQFVEEIQFDKLGAFVYSDEEGTVAFNLKEKVDPEMAKRRQEELLLLQA
EISNSRLDRFVGKKLKFLVEGKEGKFLVGRTWTEAPEVDGVVFVRGKGKI
GDFLEVVIKEHDEYDMWGSVILEH
Ligand information
Ligand IDFS5
InChIInChI=1S/8Fe.H2S5.8S/c;;;;;;;;1-3-5-4-2;;;;;;;;/h;;;;;;;;1-2H;;;;;;;;/q;;;;;;2*+1;;;;;;;;;/p-2
InChIKeyFDJYKHODDMRQJF-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
CACTVS 3.370S(SS[Fe]12|S3[Fe]|4S5|[Fe]3S1|[Fe]5S2|4)SS[Fe]67|S8[Fe]|9S|%10[Fe](S6|9)|S7[Fe]8|%10
FormulaFe8 S13
NameIRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS;
PENTASULFIDE-LINKED IRON CUBANES
ChEMBL
DrugBank
ZINC
PDB chain4jc0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4jc0 Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G9 C10 K12 N13 C46 A47 I49 C79 C148 R150 C152 C155 I157 Q192
Binding residue
(residue number reindexed from 1)		G8 C9 K11 N12 C45 A46 I48 C78 C139 R141 C143 C146 I148 Q183
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.4.4: [ribosomal protein uS12] (aspartate(89)-C(3))-methylthiotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity
GO:0035596 methylthiotransferase activity
GO:0035599 aspartic acid methylthiotransferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0103039 protein methylthiotransferase activity
Biological Process
GO:0006400 tRNA modification
GO:0018339 peptidyl-L-beta-methylthioaspartic acid biosynthetic process from peptidyl-aspartic acid
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jc0, PDBe:4jc0, PDBj:4jc0
PDBsum4jc0
PubMed23542644
UniProtQ9X2H6|RIMO_THEMA Ribosomal protein uS12 methylthiotransferase RimO (Gene Name=rimO)

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