Structure of PDB 6k0w Chain C Binding Site BS01

Receptor Information
>6k0w Chain C (length=433) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYELTWTGKGFANALYSEPCQKQLKLQESFTPQSKHPNNAIIIGDNLDAL
KLLKSAYSEKIKMIYIDPPYNTGNDEFIYPDNFRQDYQKILREVSESLKF
FKNTQGSGTHSGWLSFMLPRLKLARDLLKEDGVIFISIDDNECANLKILC
DEIFGEDNFVGDFIRKTKSTTNDAKIGLNYQHEFLLCYAKDKNYTNLLGG
EKNQKTFDSLIFSDNCYMNQAATKELLNLGMGEYFTYPKGVEFMKKIILH
STTPNEGDIILDFFAGSGTTVHAVMELNAEDKGNREFILVQIDEEIKEDE
SAYDFCKKELKSAKPVISDITIERVKRAAQKISQLSKDSGLDLGFKVYTL
QDDLTPFDKALNLALQCGKTLNQALEIIIKDKLYKCEDAYFCIVCDEEAQ
EYLAKSKNEMIFLDGYEELEAFLNLNASFKERL
Ligand information
Ligand IDSFG
InChIInChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKeyLMXOHSDXUQEUSF-YECHIGJVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
CACTVS 3.370N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H23 N7 O5
NameSINEFUNGIN;
ADENOSYL-ORNITHINE
ChEMBLCHEMBL1214186
DrugBankDB01910
ZINCZINC000004217451
PDB chain6k0w Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k0w Tetramerization at Low pH Licenses DNA Methylation Activity of M.HpyAXI in the Presence of Acid Stress.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D82 N83 D104 K381 F406 A407 S409 T411 Q433 I434
Binding residue
(residue number reindexed from 1)		D45 N46 D67 K239 F264 A265 S267 T269 Q291 I292
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
Biological Process
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k0w, PDBe:6k0w, PDBj:6k0w
PDBsum6k0w
PubMed31628946
UniProtO25315

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