Structure of PDB 5gm1 Chain A Binding Site BS01

Receptor Information
>5gm1 Chain A (length=281) Species: 68180 (Streptomyces blastmyceticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQQVTADEVGDWYDKFGEVYHLTLGESVHCGLWFPPDAPVPQDMELVTMS
SQAQDRYTDYLIETLDPKAGQHLLDIGCGTGRTALKAARQRGIAVTGVAV
SKEQIAAANRLAAGHGLTERLTFEVADAMRLPYEDESFDCAWAIESLCHM
DRAKALGEAWRVLKPGGDLLVLESVVTEELTEPETALFETLYAANVPPRL
GEFFDIVSGAGFHTLSLKDLSANLAMTMNVFALGVYSRRAEFTERFGAEF
VDGLLAGLGSAQETLIRKTRFFMATLRKPAV
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 chain5gm1 Chain A Residue 301 [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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PDB5gm1 Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Resolution2.501 Å
Binding residue
(original residue number in PDB)
G85 C86 G87 V108 Q112 D135 A136 I152 S154 H157 M158
Binding residue
(residue number reindexed from 1)
G77 C78 G79 V100 Q104 D127 A128 I144 S146 H149 M150
Annotation score4
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:5gm1, PDBe:5gm1, PDBj:5gm1
PDBsum5gm1
PubMed27613858
UniProtA0A077K7L1

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