Structure of PDB 7vob Chain C Binding Site BS03

Receptor Information
>7vob Chain C (length=327) Species: 68214 (Streptomyces griseochromogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRERYLFIRLLEACNADCFMCDFALSRDTFRFSLEDFDELLPRAVEAGVG
YIRFTGGEPLMHTDVAELVRRGTDAGMKMSIITNGMMLPRQIERLADAGL
AQIIVSLDGGSAATHDVYRRSPGMFDNGLRGLRAAARLGVLPRVNSVVGP
HNYTEMPQLQRVLTEAGVRQWELSALKLERAISYPDPDHVRALCDPVYDA
DPEHMLVPLGKRFYGDTPEEQELYFSDSVTPRASAPLCHVVDDVIYLDGK
YGRAYACSCLPHREGDDEPGGAPLREDGVIRLDTPAFRTHADFFRTEGPR
VCNGCSTTAAGYSDDIARLGGVRPWQY
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain7vob Chain C Residue 403 [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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PDB7vob Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
Resolution2.09224 Å
Binding residue
(original residue number in PDB)		M37 T72 G73 G74 E75 I99 T100 S123 R136 N162 V164 K194
Binding residue
(residue number reindexed from 1)		M20 T55 G56 G57 E58 I82 T83 S106 R119 N145 V147 K177
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7vob, PDBe:7vob, PDBj:7vob
PDBsum7vob
PubMed35238201
UniProtA0A1B1AYF2

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