Structure of PDB 7ct9 Chain A Binding Site BS01

Receptor Information
>7ct9 Chain A (length=328) Species: 914127 (Vibrio vulnificus MO6-24/O) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMFNFANFYQLIAQDTRLQPWLNVLPQQLTDWQNAEHGDFPRWLKALNKI
PEGAPDQIDIKHSVTISNDTPFHQGELKKLESLLRTFHPWRKGPYTVHGI
HIDTEWRSDWKWDRVLPHISPLKNRSVLDVGCGNGYHMWRMLGEGARLCV
GIDPSHLFLIQFEAIRKLMGGDQRAHLLPLGIEQLPKLEAFDTVFSMGVL
YHRRSPLDHLIQLKDQLVSGGELILETLVIEGDETAVLVPKERYAQMRNV
YFFPSARALKVWLELVGFEDVRIVDENVTSVDEQRTTNWMTHNSLPDYLD
QNDPSKTVEGYPAPRRAILVAKKPGHHH
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 chain7ct9 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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PDB7ct9 Structural snapshots of CmoB in various states during wobble uridine modification of tRNA.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K91 K110 G130 H136 D152 P153 F157 G180 M196
Binding residue
(residue number reindexed from 1)		K92 K111 G131 H137 D153 P154 F158 G181 M197
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0002098 tRNA wobble uridine modification
GO:0006400 tRNA modification
GO:0008033 tRNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ct9, PDBe:7ct9, PDBj:7ct9
PDBsum7ct9
PubMed33213836
UniProtQ8DAP0|CMOB_VIBVU tRNA U34 carboxymethyltransferase (Gene Name=cmoB)

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