Structure of PDB 3tzl Chain B Binding Site BS01

Receptor Information
>3tzl Chain B (length=320) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMRVLTGLQPSGDLHIGNYFGAIKQMVDAQEKSQMFMFIANYHAMTSSQD
GEKLKQNSLKAAAAFLSLGIDPQKSVFWLQSDVKEVMELYWILSQFTPMG
LLERAHSYKDKVAKGLSASHGLFSYPVLMAADILLFDTRIVPVGKDQIQH
VEIARDIALKVNNEWGEIFTLPEARVNEEVAVVVGTDGAKMSKSYQNTID
IFSSEKTLKKQISSIVTDSTALEDPKDHENCNIFKIAKLFLDESGQKELQ
IRYEKGGEGYGHFKIYLNELVNAYFKEAREKYNELLEKPSHLKEILDFGA
TKARKIAQEKMQKIYEKIGL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3tzl Chain B Residue 330 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tzl Crystal Structure of Tryptophanyl-tRNA Synthetase from Campylobacter jejuni complexed with ADP and Tryptophane
Resolution2.154 Å
Binding residue
(original residue number in PDB)		H14 G16 N17 G20 V182 M190 S191 K192
Binding residue
(residue number reindexed from 1)		H15 G17 N18 G21 V183 M191 S192 K193
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K110 K189 K192
Catalytic site (residue number reindexed from 1) K111 K190 K193
Enzyme Commision number 6.1.1.2: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004830 tryptophan-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
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:3tzl, PDBe:3tzl, PDBj:3tzl
PDBsum3tzl
PubMed
UniProtQ9PIB4|SYW_CAMJE Tryptophan--tRNA ligase (Gene Name=trpS)

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