Structure of PDB 7x0b Chain A Binding Site BS03

Receptor Information
>7x0b 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]
SVRLADGKVRNPEGIEVNASLQCNMRCQSCAHLSPLYRRENADPAEIHDT
LSVLARSYHASYAKIMGGEPLLHPDVVGLIEAVRATGISDTVLVATNGTL
LHRATERFWQAVDSLEISVYPSRMIAPEEIERYRVLAREHGVSLLVNYYG
HFRAVYSESGTDAPDLVRDVFDTCKLAHFWNSHTVYDGWLYRCPQSVFMP
RQLRDGGWDPRVDGLRIEDDPAFLERLHRFLTADDPLRACRNCLGSVGKL
HPHQELPRAGWQVTEQLAALVDYPFLKVCKDDITADDGCVERSLSAPVGG
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 chain7x0b 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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PDB7x0b Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
Resolution2.02028 Å
Binding residue
(original residue number in PDB)		S30 A32 H33 M67 G69 T97 N98 S119 Y121 Y150 F153 R154
Binding residue
(residue number reindexed from 1)		S29 A31 H32 M66 G68 T96 N97 S118 Y120 Y149 F152 R153
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:7x0b, PDBe:7x0b, PDBj:7x0b
PDBsum7x0b
PubMed35622017
UniProtA8WEZ7

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