Structure of PDB 1ses Chain A Binding Site BS01

Receptor Information
>1ses Chain A (length=421) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVDLKRLRQEPEVFHRAIREKGVALDLEALLALDREVQELKKRLQEVQTE
RNQVAKRVPKAPPEEKEALIARGKALGEEAKRLEEALREKEARLEALLLQ
VPLPPWPGAPVGGEEANREIKRVGGPPEFSFPPLDHVALMEKNGWWEPRI
SQVSGSRSYALKGDLALYELALLRFAMDFMARRGFLPMTLPSYAREKAFL
GTGHFPAYRDQVWAIAETDLYLTGTAEVVLNALHSGEILPYEALPLRYAG
YAPAFRSEAGSFGKDVRGLMRVHQFHKVEQYVLTEASLEASDRAFQELLE
NAEEILRLLELPYRLVEVATGDMGPGKWRQVDIEVYLPSEGRYRETHSCS
ALLDWQARRANLRYRDPEGRVRYAYTLNNTALATPRILAMLLENHQLQDG
RVRVPQALIPYMGKEVLEPCG
Ligand information
Ligand IDAHX
InChIInChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
InChIKeyWBBUFKBXWUDMQG-YTMOPEAISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(ONC(=O)C(N)CO)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)ONC(=O)[C@H](CO)N)O)O)N
CACTVS 3.341N[C@@H](CO)C(=O)NO[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)ONC(=O)C(CO)N)O)O)N
CACTVS 3.341N[CH](CO)C(=O)NO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
FormulaC13 H20 N7 O9 P
NameSERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000016051499
PDB chain1ses Chain A Residue 422 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ses Crystal structures at 2.5 angstrom resolution of seryl-tRNA synthetase complexed with two analogs of seryl adenylate.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T225 R256 E258 V272 F275 K277 E279 E345 T346 S348 N378 T380 A383 R386
Binding residue
(residue number reindexed from 1)		T225 R256 E258 V272 F275 K277 E279 E345 T346 S348 N378 T380 A383 R386
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R256 R271 E345 S348 R386
Catalytic site (residue number reindexed from 1) R256 R271 E345 S348 R386
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
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0070905 serine binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
GO:0016260 selenocysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ses, PDBe:1ses, PDBj:1ses
PDBsum1ses
PubMed8128224
UniProtP34945|SYS_THET2 Serine--tRNA ligase (Gene Name=serS)

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