Structure of PDB 5gm2 Chain R Binding Site BS04

Receptor Information
>5gm2 Chain R (length=273) Species: 68180 (Streptomyces blastmyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQVTADEVGDWYDKFGEVYHLTLGESVHCGLWFPPDAPVPQDMELVTMSS
QAQDRYTDYLIETLDPKAGQHLLDIGCGTGRTALKAARQRGIAVVSKEQI
AAANRLAAGHGLTERLTFEVADAMRLPYEDESFWAIESLCHMDRAKALGE
AWRVLKPGGDLLVLESVVTEELTEPETALFETLYAANVPPRLGEFFDIVS
GAGFHTLSLKDLSANLAMTMNVFALGVYSRRAEFTERFGAEFVDGLLAGL
GSAQETLIRKTRFFMATLRKPAV
Ligand information
Ligand IDTEX
InChIInChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1
InChIKeyKISDGNGREAJPQR-OICBGKIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3C(C)(CCC=C(C)C)C=C)N1C)CO
CACTVS 3.385CC(C)[CH]1N(C)c2ccc(c3[nH]cc(C[CH](CO)NC1=O)c23)[C](C)(CCC=C(C)C)C=C
CACTVS 3.385CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc(C[C@@H](CO)NC1=O)c23)[C@](C)(CCC=C(C)C)C=C
OpenEye OEToolkits 2.0.4CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO
ACDLabs 12.01c1cc(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(C)([C@H]=C)CC\C=C(/C)C
FormulaC27 H39 N3 O2
Name(2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one;
Teleocidin A 1
ChEMBLCHEMBL5172923
DrugBank
ZINCZINC000031333229
PDB chain5gm2 Chain R Residue 302 [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]
PDB5gm2 Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E153 C156 H157 E181 S182 F196 Y200 L232 F279
Binding residue
(residue number reindexed from 1)		E137 C140 H141 E165 S166 F180 Y184 L216 F263
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5gm2, PDBe:5gm2, PDBj:5gm2
PDBsum5gm2
PubMed27613858
UniProtA0A077K7L1

[Back to BioLiP]