Structure of PDB 2zpa Chain B Binding Site BS01

Receptor Information
>2zpa Chain B (length=662) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAELTALHTLTAQMKREGIRRLLVLSGEEGWCFEHTLKLRDALPGDWLWI
SPRPDALQTLLGREFRHAVFDARHGFDAAAFAALSGTLKAGSWLVLLLPV
WEEWENQPDADSLRWSDCPDPIATPHFVQHLKRVLTADNEAILWRQNQPF
SLAHFTPRTDWYPATGAPQPEQQQLLKQLMTMPPGVAAVTAARGRGKSAL
AGQLISRIAGRAIVTAPAKASTDVLAQFAGEKFRFIAPDALLASDEQADW
LVVDEAAAIPAPLLHQLVSRFPRTLLTTTVQGYEGTGRGFLLKFCARFPH
LHRFELQQPIRWAQGCPLEKMVSEALVFDDENFTHTPQGNIVISAFEQTL
WQSDPETPLKVYQLLSGAHYRTSPLDLRRMMDAPGQHFLQAAGENEIAGA
LWLVDEGGLSQQLSQAVWAGFRRPRGNLVAQSLAAHGNNPLAATLRGRRV
SRIAVHPARQREGTGRQLIAGALQYTQDLDYLSVSFGYTGELWRFWQRCG
FVLVRMGNHREASSGCYTAMALLPMSDAGKQLAEREHYRLRRDAQALAQW
NGETLPVDPLNDAVLSDDDWLELAGFAFAHRPLLTSLGCLLRLLQTSELA
LPALRGRLQKNASDAQLCTTLKLSGRKMLLVRQREEAAQALFALNDVRTE
RLRDRITQWQLF
Ligand information
Ligand IDACO
InChIInChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
CACTVS 3.341CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C
CACTVS 3.341CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
FormulaC23 H38 N7 O17 P3 S
NameACETYL COENZYME *A
ChEMBLCHEMBL1230809
DrugBank
ZINCZINC000008551095
PDB chain2zpa Chain B Residue 701 [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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PDB2zpa RNA helicase module in an acetyltransferase that modifies a specific tRNA anticodon
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I461 V463 R469 G471 G473 R474 V492 L500 F503 W504 R506
Binding residue
(residue number reindexed from 1)		I453 V455 R461 G463 G465 R466 V484 L492 F495 W496 R498
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.-
2.3.1.193: tRNA(Met) cytidine acetyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0005524 ATP binding
GO:0008080 N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0051392 tRNA N-acetyltransferase activity
GO:0106226 peptide 2-hydroxyisobutyryltransferase activity
Biological Process
GO:0002101 tRNA wobble cytosine modification
GO:0008033 tRNA processing
GO:0051391 tRNA acetylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2zpa, PDBe:2zpa, PDBj:2zpa
PDBsum2zpa
PubMed19322199
UniProtP76562|TMCA_ECOLI tRNA(Met) cytidine acetyltransferase TmcA (Gene Name=tmcA)

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