Structure of PDB 1g60 Chain B Binding Site BS01

Receptor Information
>1g60 Chain B (length=228) Species: 476 (Moraxella bovis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLEINKIHQMNCFDFLDQVENKSVQLAVIDPPYNLSKADWDSFDSHNEFL
AFTYRWIDKVLDKLDKDGSLYIFNTPFNCAFICQYLVSKGMIFQNWITWD
KRDGMGSAKRRFSTGQETILFFSKSKNHTFNYDEVRVPYGILKNGKRWFP
NPNGRLCGEVWHFSSITPKPRDLIERIIRASSNPNDLVLDCFMGSGTTAI
VAKKLGRNFIGCDMNAEYVNQANFVLNQ
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain1g60 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g60 Crystal structure of MboIIA methyltransferase.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		N11 C12 D30 W40 P196 F220 G222 S223 T225 D241 M242 Y246
Binding residue
(residue number reindexed from 1)		N11 C12 D30 W40 P168 F192 G194 S195 T197 D213 M214 Y218
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D30 P31
Catalytic site (residue number reindexed from 1) D30 P31
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:0008170 N-methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
Biological Process
GO:0009307 DNA restriction-modification system
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:1g60, PDBe:1g60, PDBj:1g60
PDBsum1g60
PubMed12954781
UniProtP23192|MTM2_MORBO Type II methyltransferase M1.MboII (Gene Name=mboIIM)

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