Structure of PDB 2qyo Chain B Binding Site BS01

Receptor Information
>2qyo Chain B (length=352) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNRKPSEIFKAQALLYKNMYAFVDSMSLKWSIEMNIPNIIHNHGKPITLS
NLVSILQIPSTKVDNVQRLMRYLAHNGFFEIITNQELENEEEAYALTVAS
ELLVKGTELCLAPMVECVLDPTLSTSFHNLKKWVYEEDLTLFAVNLGCDL
WEFLNKNPEYNTLYNDALASDSKMINLAMKDCNLVFEGLESIVDVGGGNG
TTGKIICETFPKLTCVVFDRPKVVENLCGSNNLTYVGGDMFISVPKADAV
LLKAVLHDWTDKDCIKILKKCKEAVTSDGKRGKVIVIDMVINEKKDENQL
TQIKLLMNVTISCVNGKERNEEEWKKLFIEAGFQDYKISPFTGLMSLIEI
YP
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 chain2qyo Chain B Residue 602 [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]
PDB2qyo Crystal structures of Medicago truncatula isoflavone O-methyltransferase reveal conserved surface binding motifs critical for enzymatic activity
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G201 D224 R225 D244 M245 K258
Binding residue
(residue number reindexed from 1)		G196 D219 R220 D239 M240 K253
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H262 D263 D293 E323
Catalytic site (residue number reindexed from 1) H257 D258 D288 E318
Enzyme Commision number 2.1.1.150: isoflavone 7-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0033800 isoflavone 7-O-methyltransferase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0009058 biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2qyo, PDBe:2qyo, PDBj:2qyo
PDBsum2qyo
PubMed
UniProtQ06YR3

[Back to BioLiP]