Structure of PDB 1wle Chain A Binding Site BS01

Receptor Information
>1wle Chain A (length=465) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNLLYEHAREGYSALPLLDMESLCAYPEDAARALDLRKGELRSKDLPGII
STWQELRQLREQIRSLEEEKEAVTEAVRALVVNQDNSQVQQDPQYQSLRA
RGREIRKQLTLLYPKEAQLEEQFYLRALRLPNQTHPDVPVGDESQARVLH
VVGDKPAFSFQPRGHLEIAEKLDIIRQKRLSHVSGHRSYYLRGAGALLQH
GLVNFTLNKLIHRGFTPMTVPDLLRGVVFEGCGMTPNAKPSQIYNIDPSR
FEDLNLAGTAEVGLAGYFMDHSVAFRDLPIRMVCSSTCYRAETDTGPWGL
YRVHHFTKVEMFGVTGPGLEQSSELLEEFLSLQMEILTELGLHFRVLDMP
TQELGLPAYRKFDIEAWMPGRGRFGEVTSASNCTDFQSRRLHIMFQTEAG
ELQFAHTVNATGCAVPRLLIALLESYQQKDGSVLVPPALQPYLGTDRITT
PTHVPLQYIGPNQPQ
Ligand information
Ligand IDSRP
InChIInChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
InChIKeyUVSYURUCZPPUQD-MACXSXHHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N
ACDLabs 10.04O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CO)N)O)O)N
CACTVS 3.341N[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341N[C@@H](CO)C(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
FormulaC13 H19 N6 O9 P
NameSERYL ADENYLATE
ChEMBL
DrugBank
ZINCZINC000013537861
PDB chain1wle Chain A Residue 900 [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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PDB1wle Dual-mode recognition of noncanonical tRNAs(Ser) by seryl-tRNA synthetase in mammalian mitochondria
Resolution1.65 Å
Binding residue
(original residue number in PDB)		T282 E284 R313 E315 Y326 V328 F331 E335 E401 V402 T403 S404 N434 T436 A439
Binding residue
(residue number reindexed from 1)		T259 E261 R290 E292 Y301 V303 F306 E310 E376 V377 T378 S379 N409 T411 A414
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R313 R327 E401 S404 R442
Catalytic site (residue number reindexed from 1) R290 R302 E376 S379 R417
Enzyme Commision number 6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
GO:0070158 mitochondrial seryl-tRNA aminoacylation
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wle, PDBe:1wle, PDBj:1wle
PDBsum1wle
PubMed16163389
UniProtQ9N0F3|SYSM_BOVIN Serine--tRNA ligase, mitochondrial (Gene Name=SARS2)

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