Structure of PDB 4rvg Chain A Binding Site BS03

Receptor Information
>4rvg Chain A (length=418) Species: 41951 (Streptomyces argillaceus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARAVTTCRMCGAQDWQEVVDFGPVPLADSFLEPAASYDDEPRYPLAVVS
CRSCRLMSLTHVVDPEVLYRTYPYTTSDSETIKKHMGHVVAVCVERFGIP
EGSFVLEIGSNTGSQLKAFQNAGMRTLGIDPARNIAAVANERGIETLPEF
FSVDTAALVKKTHGTPQLVLGRHVFAHIDDVSAVAEGVRDLLGPDSLFAI
EVPYLVDMLERNEFDTIYHEHLSYIGVGSLVALFRRHGLRVVDVERLAVH
GGSILVFVGLDEGTRATAPVVEELIALEKERGLYEDATYERFARHVAEIT
AELTSMVRSLRAEGKRIAGYGAPAKGNTLLNVCGLTADDLEFCCDTTEFK
QGLVLPGTHIPVRSPEYAKTQAIDYYLLLAWNYGEEILAKEGPFLADGGR
FILPNPRPSIVPPGEHHH
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 chain4rvg Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rvg Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y74 T81 I113 G114 D135 P136 F155 F156 R177 V179
Binding residue
(residue number reindexed from 1)		Y69 T76 I108 G109 D130 P131 F150 F151 R172 V174
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4rvg, PDBe:4rvg, PDBj:4rvg
PDBsum4rvg
PubMed25587924
UniProtQ194Q4

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