Structure of PDB 1tv7 Chain B Binding Site BS01

Receptor Information
>1tv7 Chain B (length=326) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKDKLGRPIRDLRLSVTDRCNFRCDYCMPKEVFGDDFVFLPKNELLTFD
EMARIAKVYAELGVKKIRITGGEPLMRRDLDVLIAKLNQIDGIEDIGLTT
NGLLLKKHGQKLYDAGLRRINVSLDAIDDTLFQSINNRNIKATTILEQID
YATSIGLNVKVNVVIQKGINDDQIIPMLEYFKDKHIEIRFIEFMDVGNDN
GWDFSKVVTKDEMLTMIEQHFEIDPVEPKYFGEVAKYYRHKDNGVQFGLI
TSVSQSFCSTCTRARLSSDGKFYGCLFATVDGFNVKAFIRSGVTDEELKE
QFKALWQIRDDRYSDERTAQTVANRQ
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 chain1tv7 Chain B Residue 2401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tv7 Crystal structure of the S-adenosylmethionine-dependent enzyme MoaA and its implications for molybdenum cofactor deficiency in humans.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C24 F26 C28 C31 M32 G75
Binding residue
(residue number reindexed from 1)		C21 F23 C25 C28 M29 G72
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tv7, PDBe:1tv7, PDBj:1tv7
PDBsum1tv7
PubMed15317939
UniProtP69848|MOAA_STAA8 GTP 3',8-cyclase (Gene Name=moaA)

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