Structure of PDB 6tzx Chain A Binding Site BS01

Receptor Information
>6tzx Chain A (length=223) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STTTKYIFVPIATIGCGKTTVFNTLNNLFPQWTHIQNNNISKKAKLKICD
LTLLALEDDDQSVVLFDRNNSASRERRQIFTTIDQKRDEHLDDTVDLKYI
AINFIPEDLSEEELWDITYNRVIQRGDNHQSIKSQLDENLVESVMKGFIQ
RYQPINTSRSPDDQFDHVIHLKLSKDENSLKSSLENVRIIIDDLVQNFPD
LIKEKPADELINECFQKALDYKP
Ligand information
Ligand IDIDP
InChIInChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyJPXZQMKKFWMMGK-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
FormulaC10 H14 N4 O11 P2
NameINOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL1233551
DrugBank
ZINCZINC000004261903
PDB chain6tzx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tzx Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Resolution1.529 Å
Binding residue
(original residue number in PDB)		G422 G424 K425 T426 T427 R528 R532 G533 D534 D583 K588 S590 L626
Binding residue
(residue number reindexed from 1)		G15 G17 K18 T19 T20 R121 R125 G126 D127 D176 K181 S183 L219
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.3: RNA ligase (ATP).
Gene Ontology
Molecular Function
GO:0003972 RNA ligase (ATP) activity
GO:0005524 ATP binding
Biological Process
GO:0006388 tRNA splicing, via endonucleolytic cleavage and ligation

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Molecular Function
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Biological Process
External links
PDB RCSB:6tzx, PDBe:6tzx, PDBj:6tzx
PDBsum6tzx
PubMed31722405
UniProtP43075|TRNL_CANAL tRNA ligase (Gene Name=LIG1)

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