Structure of PDB 7qw5 Chain A Binding Site BS03

Receptor Information
>7qw5 Chain A (length=544) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSRQKATGAHFTPDKLAEVIAKRILDYFKGEKNRVIRVLDPACGDGELLL
AINKVAQSMNIQLELIGVDFDIDAINIANERLSRSGHKNFRLINKDFLEM
LEPVDIIIANPPYVRTQILGAEKAQKLREKFNLKGRVDLYQAFLVAMTQQ
LKSNGIIGVITSNRYLTTKGGESTRKFLVSNFNILEIMDLGDSKFFEAAV
LPAIFFGEKKNKESNVPKFFKIYEQSDIEASSSVNSEFNSLIELLEVNKS
GLYSVEDKTYSISLGKIISPENYKEPWILATEDEYEWFMKVNQNAYGFIE
DFAHVKVGIKTTADSVFIRSDWGELPEEQIPEDKLLRPIISADQANKWSV
SGNNKKVLYTHEIRDGQIKAINLEEFPRAKNYLESHKERLASRKYVLKAN
RNWYEIWVPHDPSLWDKPKIIFPDTSPEPKFFYEDKGSVVDGNCYWIIPK
KENSNDILFLIMGICNSKFMSKYHDIAFQNKLYAGRRRYLTQYVNKYPIP
DPESIYSKEIISLVRELVNNETQDINEIENRIEKLILRAFDIES
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 chain7qw5 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7qw5 Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T16 G17 A18 H19 F20 T21 D49 A51 C52 G53 L57 D78 F79 D105 F106 N133 P135 F166
Binding residue
(residue number reindexed from 1)		T7 G8 A9 H10 F11 T12 D40 A42 C43 G44 L48 D69 F70 D96 F97 N110 P112 F143
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:7qw5, PDBe:7qw5, PDBj:7qw5
PDBsum7qw5
PubMed
UniProtP43423|MTC1_GEOSE Type II methyltransferase M.BseCI (Gene Name=bseCIM)

[Back to BioLiP]