Structure of PDB 1wle Chain B Binding Site BS01

Receptor Information
>1wle Chain B (length=469) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDRNLLYEHAREGYSALPLLDMESLCAYPEDAARALDLRKGELRSKDLPG
IISTWQELRQLREQIRSLEEEKEAVTEAVRALVVNQDNSQVQQDPQYQSL
RARGREIRKQLTLLYPKEAQLEEQFYLRALRLPNQTHPDVPVGDESQARV
LHVVGDKPAFSFQPRGHLEIAEKLDIIRQKRLSHVSGHRSYYLRGAGALL
QHGLVNFTLNKLIHRGFTPMTVPDLLRGVVFEGCGMTPNAKPSQIYNIDP
SRFEDLNLAGTAEVGLAGYFMDHSVAFRDLPIRMVCSSTCYRAETDTGKE
PWGLYRVHHFTKVEMFGVTGPGLEQSSELLEEFLSLQMEILTELGLHFRV
LDMPTQELGLPAYRKFDIEAWMPGRGRFGEVTSASNCTDFQSRRLHIMFQ
TEAGELQFAHTVNATGCAVPRLLIALLESYQQKDGSVLVPPALQPYLGTD
RITTPTHVPLQYIGPNQPQ
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 B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 R327 V328 F331 E335 E401 V402 T403 S404 N434 T436 A439
Binding residue
(residue number reindexed from 1)		T261 E263 R292 E294 Y305 R306 V307 F310 E314 E380 V381 T382 S383 N413 T415 A418
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R313 R327 E401 S404 R442
Catalytic site (residue number reindexed from 1) R292 R306 E380 S383 R421
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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