Structure of PDB 6u05 Chain A Binding Site BS02

Receptor Information
>6u05 Chain A (length=413) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTKYIFVPIATIGCGKTTVFNTLNNLFPQWTHIQNDNISKKAKLKICDL
TLLALEDDDQSVVLFDRNNSASRERRQIFTTIDQKRDEHLDDTVDLKYIA
INFIPEDLSEEELWDITYNRVIQLDENLVESVMKGFIQRYQPINTSRSPD
DQFDHVIHLKLSKDENSLKSSLENVRIIIDDLVQNFPDLIKEKPADELIN
ECFQKALDYKPTFVKNMTANTIKKDPTYYGIAMHYSSILENLEIVSHNEH
FQNIKSHIQTEFHVTLGHIASSKQDKAGRVKWKKLVKTLGKGDPNKPKSA
LKFFADVKLLQIVINTDKLACIKVEILKIYDTNDVLQSEIEPINKQLHIT
IGCIPPATAVESNITLEELYDNPDEQELKPDGTYKCGDDTLHVFNFDNPD
LKLFSQQLFVAYQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain6u05 Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u05 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.
Resolution1.948 Å
Binding residue
(original residue number in PDB)		T684 H767 T769 A778
Binding residue
(residue number reindexed from 1)		T265 H348 T350 A359
Annotation score3
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:6u05, PDBe:6u05, PDBj:6u05
PDBsum6u05
PubMed31722405
UniProtP43075|TRNL_CANAL tRNA ligase (Gene Name=LIG1)

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