Structure of PDB 4rvh Chain A Binding Site BS02

Receptor Information
>4rvh 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 IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4rvh 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4rvh Structural Insight into MtmC, a Bifunctional Ketoreductase-Methyltransferase Involved in the Assembly of the Mithramycin Trisaccharide Chain.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y74 Y77 T81 G114 N116 D135 P136 F155 F156 R177 H178 V179
Binding residue
(residue number reindexed from 1)		Y69 Y72 T76 G109 N111 D130 P131 F150 F151 R172 H173 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:4rvh, PDBe:4rvh, PDBj:4rvh
PDBsum4rvh
PubMed25587924
UniProtQ194Q4

[Back to BioLiP]