Structure of PDB 7btz Chain A Binding Site BS01

Receptor Information
>7btz Chain A (length=212) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FELMTHSVSPIGYIRSCFMEKFAIPRQPLLAPAARGTLELLPPFDQVEAL
EGLEQVSHVWLLFLFHQAPRLKLGVFATRATHRPNGIGQSVVRLEGFEAG
RLWLSGIDLLDGTPVLDIKPYVPYADAVADARNGIADAPPPGIAVEWSEQ
ARRQAHEHGQRLRQPVAELIEQCLAQDPRPEPGRRYGVRLWDLDVHWHYP
RPDLIRVLDVAG
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain7btz Chain A Residue 401 [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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PDB7btz Crystal structure of TrmO from Pseudomonas aeruginosa
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I21 F62 H63 Q64 R91 T93 Q101 S102 D120 L121 L122 T125
Binding residue
(residue number reindexed from 1)		I24 F65 H66 Q67 R79 T81 Q89 S90 D108 L109 L110 T113
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0089715 tRNA (L-threonylcarbamoyladenosine(37)-C2) methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7btz, PDBe:7btz, PDBj:7btz
PDBsum7btz
PubMed
UniProtQ9RPT0|RCSF1_PSEAE Putative S-adenosylmethionine-dependent methyltransferase RcsF (Gene Name=rcsF)

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