Structure of PDB 2fb3 Chain A Binding Site BS02

Receptor Information
>2fb3 Chain A (length=327) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQIKDKLGRPIRDLRLSVTDRCNFRCDYCMPKEVFGDDFVFLPKNELLTF
DEMARIAKVYAELGVKKIRITGGEPLMRRDLDVLIAKLNQIDGIEDIGLT
TNGLLLKKHGQKLYDAGLRRINVSLDAIDDTLFQSINNRNIKATTILEQI
DYATSIGLNVKVNVVIQKGINDDQIIPMLEYFKDKHIEIRFIEFMDVGND
NGWDFSKVVTKDEMLTMIEQHFEIDPVEPKYFGEVAKYYRHKDNGVQFGL
ITSVSQSFCSTCTRARLSSDGKFYGCLFATVDGFNVKAFIRSGVTDEELK
EQFKALWQIRDDRYSDERTAQTVANRQ
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 chain2fb3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fb3 Binding of 5'-GTP to the C-terminal FeS cluster of the radical S-adenosylmethionine enzyme MoaA provides insights into its mechanism
Resolution2.349 Å
Binding residue
(original residue number in PDB)		C24 F26 C28 C31 M32
Binding residue
(residue number reindexed from 1)		C22 F24 C26 C29 M30
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.22: GTP 3',8-cyclase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005525 GTP binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0061798 GTP 3',8'-cyclase activity
GO:0061799 cyclic pyranopterin monophosphate synthase activity
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2fb3, PDBe:2fb3, PDBj:2fb3
PDBsum2fb3
PubMed16632608
UniProtP69848|MOAA_STAA8 GTP 3',8-cyclase (Gene Name=moaA)

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