Structure of PDB 6uak Chain A Binding Site BS01

Receptor Information
>6uak Chain A (length=297) Species: 1410622 (Lachnospiraceae bacterium C6A11) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKKWSVYFQNPEFLERTRMFLIQKELYPLVRNWCGVKDNVRLLDVGCGTG
YFTRLLVSGDEDVSAVGIDMEEPFIEYAREKAEELGLPAEFIIGDALALP
FEDNTFDIVTSHTFLTSVPDPEKAMSEMKRVVKPGGIISSVTAMNFMPAC
NNEGEYPEECTWVEDLKKEYMKIYTKYFSADPLETRIKGVKCSDVPKFFT
GQGLKDVSLYPIGKVFTLSNAAVSDEDKLRYIELFYASEIKKLDAFMELD
IGITEEDAERFRSLIGQKCKWLRDHLHDNYAWEWQGGANLLVTGICN
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 chain6uak Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uak Characterization of a Dehydratase and Methyltransferase in the Biosynthesis of Ribosomally Synthesized and Post-translationally Modified Peptides in Lachnospiraceae.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		W7 R21 G49 C50 G51 D72 M73 F77 D98 A99 H115 T116
Binding residue
(residue number reindexed from 1)		W4 R18 G46 C47 G48 D69 M70 F74 D95 A96 H112 T113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6uak, PDBe:6uak, PDBj:6uak
PDBsum6uak
PubMed31532570
UniProtA0A3D0LE54

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