Structure of PDB 3qo7 Chain A Binding Site BS01

Receptor Information
>3qo7 Chain A (length=440) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDINAFLVEKGGDPEIIKASQKKRGDSVELVDEIIAEYKEWVKLRFDLD
EHNKKLNSVQKEIGKRFKAKEDAKDLIAEKEKLSNEKKEIIEKEAEADKN
LRSKINQVGNIVHESVVDSQDEENNELVRTWTPENYKKPEQIAAATGAPA
KLSHHEVLLRLDGYDPERGVRIVGHRGYFLRNYGVFLNQALINYGLSFLS
SKGYVPLQAPVMMNKEVMAKTAQLSQFDEELYKVIDGEDEKYLIATSEQP
ISAYHAGEWFESPAEQLPVRYAGYSSCFRREAGAWGIFRVHAFEKIEQFV
LTEPEKSWEEFDRMIGCSEEFYQSLGLPYRVVGIVSGELNNAAAKKYDLE
AWFPFQQEYKELVSCSNCTDYQSRNLEIRCGIEKKYVHCLNSTLSATERT
ICCILENYQKEDGLVIPEVLRKYIPGEPEFIPYIKELPKN
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(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)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain3qo7 Chain A Residue 486 [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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PDB3qo7 Unveiling the structural basis for translational ambiguity tolerance in a human fungal pathogen.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R279 F293 R294 V295 F298 K300 K351 E366 L367 V368 S369 T404 A407 R410
Binding residue
(residue number reindexed from 1)		R279 F288 R289 V290 F293 K295 K346 E361 L362 V363 S364 T393 A396 R399
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R279 R294 E366 S369 R410
Catalytic site (residue number reindexed from 1) R279 R289 E361 S364 R399
Enzyme Commision number 6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005524 ATP binding
GO:0140101 catalytic activity, acting on a tRNA
Biological Process
GO:0002181 cytoplasmic translation
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3qo7, PDBe:3qo7, PDBj:3qo7
PDBsum3qo7
PubMed21825144
UniProtQ9HGT6|SYSC_CANAL Serine--tRNA ligase, cytoplasmic (Gene Name=SES1)

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