Structure of PDB 6m1c Chain A Binding Site BS01

Receptor Information
>6m1c Chain A (length=184) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTRIIGGVAGGRRIAVPPTRPTTDRVRESLFNIVTARRDLTGLAVLDLY
AGSGALGLEALSRGAASVLFVESDQRSAAVIARNIEALGLSGATLRRGAV
AAVVAAGTTSPVDLVLADPPYNVDSADVDAILAALGTNGWTREGTVAVVE
RATTCAPLTWPEGWRRWPQRVYGDTRLELAERLF
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 chain6m1c Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6m1c Crystal structure of RsmD methyltransferase of M. tuberculosis in complex with sinefungin reveals key interactions
Resolution2.401 Å
Binding residue
(original residue number in PDB)		P23 T24 Y51 A52 G53 S54 E73 S74 V101 D119 P121
Binding residue
(residue number reindexed from 1)		P22 T23 Y50 A51 G52 S53 E72 S73 V100 D118 P120
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.171: 16S rRNA (guanine(966)-N(2))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008168 methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
Cellular Component
GO:0005576 extracellular region
GO:0030430 host cell cytoplasm
GO:0042025 host cell nucleus
GO:0044196 host cell nucleolus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6m1c, PDBe:6m1c, PDBj:6m1c
PDBsum6m1c
PubMed
UniProtI6XFS7|RDMTR_MYCTU RNA/DNA methyltransferase Rv2966c (Gene Name=Rv2966c)

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