Structure of PDB 7wuy Chain A Binding Site BS01

Receptor Information
>7wuy Chain A (length=393) Species: 602072 (Aspergillus carbonarius ITEM 5010) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLDTLAAKLIEKAKDLRAGNSTTPQQHEALVGTLKQVQDAVYLPRDDLAA
MQMGFVTAAAIRLLLHWKVFEKIPDTGSIRYEELATQVGGDVVIITRICW
LLVATGFLVQEGSDRVAHTARTRPFAGVNPLRAWWLMGYDEYVPVLLAMP
RYYDTYGIKEPTGRLHTIKAFTEGSPELTVGEIMSRHPERTANMLISMSA
MASQYPHTGFYDFSWVAPKAAESATRPLIVDIGGAKGWTLQAICKETPEI
PISRCVLQDLSGVIQMVQTVGDEDIRSAQLMAIDFHKEQPVQGALVYMIR
RILRDFGDDECVSILQHVVAAMAPDSKLLIADTVTGNPPSWFPAMLDFFL
STIGGKERTEEEFRKITARAGLRITGIHYSDKAEFAMIVCEKA
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 chain7wuy Chain A Residue 502 [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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PDB7wuy The crystal structure of FinI in complex with SAM and fischerin
Resolution1.84 Å
Binding residue
(original residue number in PDB)		M203 M207 G242 A244 D268 L269 D293 F294 R309 R310 I311 D314
Binding residue
(residue number reindexed from 1)		M194 M198 G233 A235 D259 L260 D284 F285 R300 R301 I302 D305
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7wuy, PDBe:7wuy, PDBj:7wuy
PDBsum7wuy
PubMed
UniProtA0A1R3S1W7

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