Structure of PDB 2hma Chain A Binding Site BS02

Receptor Information
>2hma Chain A (length=364) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDNSKTRVVVGMSGGVDSSVTALLLKEQGYDVIGIFMKNWDDTDCTATED
YKDVVAVADQIGIPYYSVNFEKEYWDRVFEYFLAEYRAGRTPNPDVMCNK
EIKFKAFLDYAITLGADYVATGHYARVARDEDGTVHMLRGVDNGKDQTYF
LSQLSQEQLQKTMFPLGHLEKPEVRRLAEEAGLSTAKKKDSTGICFIGEK
NFKNFLSNYLPAQPGRMMTVDGRDMGEHAGLMYYTIGQRGGLGIGGDNAP
WFVVGKDLSKNILYVGQGFYHDSLMSTSLEASQVHFTREMPEEFTLECTA
KFRYRQPDSKVTVHVKGEKTEVIFAEPQRAITPGQAVVFYDGEECLGGGL
IDNAYRDGQVCQYI
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 chain2hma Chain A Residue 375 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hma The Crystal Structure of tRNA (5-Methylaminomethyl-2-Thiouridylate)-Methyltransferase TrmU from Streptococcus pneumoniae
Resolution2.41 Å
Binding residue
(original residue number in PDB)		G12 M13 S14 S19 M38 D100 N104 K108 T126 G127 H128 F155
Binding residue
(residue number reindexed from 1)		G11 M12 S13 S18 M37 D95 N99 K103 T121 G122 H123 F150
Annotation score2
Enzymatic activity
Enzyme Commision number 2.8.1.13: tRNA-uridine 2-sulfurtransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0016783 sulfurtransferase activity
GO:0103016 tRNA-uridine 2-sulfurtransferase activity
Biological Process
GO:0002143 tRNA wobble position uridine thiolation
GO:0006400 tRNA modification
GO:0008033 tRNA processing
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:2hma, PDBe:2hma, PDBj:2hma
PDBsum2hma
PubMed
UniProtQ97T38|MNMA_STRPN tRNA-specific 2-thiouridylase MnmA (Gene Name=mnmA)

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