Structure of PDB 5gm2 Chain O Binding Site BS04

Receptor Information
>5gm2 Chain O (length=279) Species: 68180 (Streptomyces blastmyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVTADEVGDWYDKFGEVYHLTLGESVHCGLWFPPDAPVPQDMELVTMSSQ
AQDRYTDYLIETLDPKAGQHLLDIGCGTGRTALKAARQRGIAVTGVAVSK
EQIAAANRLAAGHGLTERLTFEVADAMRLPYEDESFDCAWAIESLCHMDR
AKALGEAWRVLKPGGDLLVLESVVTEELTEPETALFETLYAANVPPRLGE
FFDIVSGAGFHTLSLKDLSANLAMTMNVFALGVYSRRAEFTERFGAEFVD
GLLAGLGSAQETLIRKTRFFMATLRKPAV
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 P Residue 302 [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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PDB5gm2 Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y28 L32 H37
Binding residue
(residue number reindexed from 1)		Y18 L22 H27
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

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