Structure of PDB 7wzv Chain A Binding Site BS03

Receptor Information
>7wzv Chain A (length=300) Species: 68270 (Streptomyces spectabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRLADGKVRNPEGIEVNASLQCNMRCQSCAHLSPLYRRENADPAEIHDTL
SVLARSYHASYAKIMGGEPLLHPDVVGLIEAVRATGISDTVLVATNGTLL
HRATERFWQAVDSLEISVYPSRMIAPEEIERYRVLAREHGVSLLVNYYGH
FRAVYSESGTDAPDLVRDVFDTCKLAHFWNSHTVYDGWLYRCPQSVFMPR
QLRDGGWDPRVDGLRIEDDPAFLERLHRFLTADDPLRACRNCLGSVGKLH
PHQELPRAGWQVTEQLAALVDYPFLKVCKDDITADDGCVERSLSAPVGGA
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 chain7wzv Chain A 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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PDB7wzv Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
Resolution1.89931 Å
Binding residue
(original residue number in PDB)		S30 A32 H33 M67 G69 S119 Y121 Y150 F153 R154
Binding residue
(residue number reindexed from 1)		S28 A30 H31 M65 G67 S117 Y119 Y148 F151 R152
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:7wzv, PDBe:7wzv, PDBj:7wzv
PDBsum7wzv
PubMed35622017
UniProtA8WEZ7

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