Structure of PDB 7qw6 Chain A Binding Site BS03

Receptor Information
>7qw6 Chain A (length=556) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVSRQKATGAHFTPDKLAEVIAKRILDYFKGEKNRVIRVLDPACGDGELL
LAINKVAQSMNIQLELIGVDFDIDAINIANERLSRSGHKNFRLINKDFLE
MEELEPVDIIIANPPYVRTQILGAEKAQKLREKFNLKGRVDLYQAFLVAM
TQQLKSNGIIGVITSNRYLTTKGGESTRKFLVSNFNILEIMDLGDSKFFE
AAVLPAIFFGEKKNKEYQKENSNVPKFFKIYEQSDIEASSSVNSEFNSLI
ELLEVNKSGLYSVEDKTYSISLGKIISPENYKEPWILATEDEYEWFMKVN
QNAYGFIEDFAHVKVGIKTTADSVFIRSDWGELPEEQIPEDKLLRPIISA
DQANKWSVSLVGNNKKVLYTHEIRDGQIKAINLEEFPRAKNYLESHKERL
ASRKYVLKANRNWYEIWVPHDPSLWDKPKIIFPDTSPEPKFFYEDKGSVV
DGNCYWIIPKKENSNDILFLIMGICNSKFMSKYHDIAFQNKLYAGRRRYL
TQYVNKYPIPDPESIYSKEIISLVRELVNNKKETQDINEIENRIEKLILR
AFDIES
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 chain7qw6 Chain A Residue 601 [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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PDB7qw6 Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T16 G17 H19 F20 T21 A51 C52 G53 L57 D78 F79 D105 F106 N133 F166
Binding residue
(residue number reindexed from 1)		T8 G9 H11 F12 T13 A43 C44 G45 L49 D70 F71 D97 F98 N113 F146
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0008168 methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
Biological Process
GO:0006304 DNA modification
GO:0009307 DNA restriction-modification system
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qw6, PDBe:7qw6, PDBj:7qw6
PDBsum7qw6
PubMed
UniProtP43423|MTC1_GEOSE Type II methyltransferase M.BseCI (Gene Name=bseCIM)

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