Structure of PDB 4kvz Chain A Binding Site BS01

Receptor Information
>4kvz Chain A (length=269) Species: 1390 (Bacillus amyloliquefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIETIVRESEANRIQAQTWFSHPEKSKVSFRYDERETSSIRSISIETFLS
FYSSKFNREPYSVLDIGCGQGQVIQYLNSRFQKIELTGIDSSAQAISSAK
KLGINASFICSNAENIMQYVSKKQDIIFIHLCFGLFKNPIAIVNTLIHLL
SDQSCIYIVDLDRNSLGEGLNTAQSREEEAYLKDQYRASLTMEEFKQLLH
VVTKEQHGVSFHVGNSFIGGFDETSSQFFSLMRNRNLQDALRTSVGEQLK
QSQMPALLHGWIIKNKRYT
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 chain4kvz Chain A Residue 500 [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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PDB4kvz Structural and functional insight into an unexpectedly selective N-methyltransferase involved in plantazolicin biosynthesis.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q18 F21 G68 D91 S92 N113 A114 H131 L136 F137
Binding residue
(residue number reindexed from 1)		Q17 F20 G67 D90 S91 N112 A113 H130 L135 F136
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
External links