Structure of PDB 7dsu Chain B Binding Site BS01

Receptor Information
>7dsu Chain B (length=420) Species: 28903 (Mycoplasmopsis bovis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANALSLSNELNQDQKDLILSIIDKFALHNVYQLMIKRVKLGFVFDIAPSV
NASEIALFKKDEKLSFNNDNNKPTNTLIIGENYDALKNLIVIESQSETVN
YDVIYIDPPYNTESSLSDGNNLSSKFIYRGKFSRTGWLNMLNERLRMAKQ
LLKEDGVIFVSIDDSEQAYLKVLMDEIFGEENFIACVPAILNPSGRQVNT
EIALTHEYILIYGGVNFVPEELDNEYVINKLPEIYKNKKRKNTWIFKTII
KGSSFNNKTGNKVLSSILKSDEFSTAKPVELIKLLIKLHPNNNARILDFY
AGSGTTGHAVMELNKEDGGNRCYTLVTNNENNIATNVCYERLYRINNGIY
TNNESNFDWIKKNKPYKSNLNVYDIEYFSTKLFDNMSIKEQYIKMLQDFN
IDTEDKDSNIDILRSLTSLK
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 chain7dsu Chain B 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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PDB7dsu Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V
Resolution3.2 Å
Binding residue
(original residue number in PDB)		E97 N98 D123 N136 Y424 G426 S427 T429 N452 I457
Binding residue
(residue number reindexed from 1)		E81 N82 D107 N120 Y300 G302 S303 T305 N328 I333
Annotation score1
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
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7dsu, PDBe:7dsu, PDBj:7dsu
PDBsum7dsu
PubMed
UniProtA0A2N8U1P8

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