Structure of PDB 5gm1 Chain H Binding Site BS02
Receptor Information
>5gm1 Chain H (length=279) Species:
68180
(Streptomyces blastmyceticus) [
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QVTADEVGDWYDKFGEVYHLTLGESVHCGLWFPPDAPVPQDMELVTMSSQ
AQDRYTDYLIETLDPKAGQHLLDIGCGTGRTALKAARQRGIAVTGVAVSK
EQIAAANRLAAGHGLTERLTFEVADAMRLPYEDESFDCAWAIESLCHMDR
AKALGEAWRVLKPGGDLLVLESVVTEELTEPETALFETLYAANVPPRLGE
FFDIVSGAGFHTLSLKDLSANLAMTMNVFALGVYSRRAEFTERFGAEFVD
GLLAGLGSAQETLIRKTRFFMATLRKPAV
Ligand information
Ligand ID
SAH
InChI
InChI=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
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
5gm1 Chain H Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
5gm1
Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Resolution
2.501 Å
Binding residue
(original residue number in PDB)
G85 C86 G87 V108 Q112 D135 A136 I152 E153 S154 H157 M158
Binding residue
(residue number reindexed from 1)
G75 C76 G77 V98 Q102 D125 A126 I142 E143 S144 H147 M148
Annotation score
4
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
PDBsum
5gm1
PubMed
27613858
UniProt
A0A077K7L1
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