Structure of PDB 5gm2 Chain I Binding Site BS02

Receptor Information
>5gm2 Chain I (length=266) Species: 68180 (Streptomyces blastmyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FGEVYHLTLGESVHCGLWFPPDAPVPQDMELVTMSSQAQDRYTDYLIETL
DPKAGQHLLDIGCGTGRTALKAARQRGIAVTGVAVSKEQIAAANRLAAGH
GLTERLTFEVADAMRLPYEDESFDCAWAIESLCHMDRAKALGEAWRVLKP
GGDLLVLESVVTEELTEPETALFETLYAANVPPRLGEFFDIVSGAGFHTL
SLKDLSANLAMTMNVFALGVYSRRAEFTERFGAEFVDGLLAGLGSAQETL
IRKTRFFMATLRKPAV
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 I 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)		E153 C156 S182 F196 Y200 L232 T235 M236
Binding residue
(residue number reindexed from 1)		E130 C133 S159 F173 Y177 L209 T212 M213
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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