Structure of PDB 6rlt Chain B Binding Site BS01

Receptor Information
>6rlt Chain B (length=456) Species: 31285 (Trypanosoma brucei gambiense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLDIQLFRDETGANIIRESQRRRFADPDIVDAIIEADKKWRRTQFLTEA
SKKLINICSKAVGAKKKAKEADGDTSEIPPQVKEAYENGTLKGEQVEQLC
VLQLKQLSKDLSDQVAGLAKEAQQLEEERDKLMLNVGNILHESVPIAQDE
ETGNTVVRTFGNTTKRAKLNHVSIMERLGMMDTSKAVTSMAGGRSYVLKG
GLVQLQVALVSYSLDFLVKRGYTPFYPPFFLNRDVMGEVAQLSQFDEELY
QVSGDKKYLIATSEMPIAAYHRGRWFTELKEPLKYAGMSTCFRKEALGIF
RVHQFDKIEQFVVCSPRQEESWRHLEDMITTSEEFNKSLGLPYRVVNICS
GALNNAAAKKYDLEAWFPASGAFRELVSCSNCTDYQSQSVNCRYGPNLRG
TAAQNVKEYCHMLNGTLCAITRTMCCICENYQTEEGVVIPDVLRPYMMGI
EMIRFE
Ligand information
Ligand IDFZK
InChIInChI=1S/C12H18N4O10S/c13-5(3-17)10(21)15-27(23,24)25-4-6-8(19)9(20)11(26-6)16-2-1-7(18)14-12(16)22/h1-2,5-6,8-9,11,17,19-20H,3-4,13H2,(H,15,21)(H,14,18,22)/t5-,6+,8+,9+,11+/m0/s1
InChIKeyQIOFKSOPWDKKDG-DANLAGSESA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)N)O)O
CACTVS 3.385N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O
FormulaC12 H18 N4 O10 S
Name5'-O-(N-(L-seryl)-Sulfamoyl)uridine
ChEMBL
DrugBank
ZINC
PDB chain6rlt Chain B Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rlt Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		T264 E266 R295 E297 V311 F314 K316 E318 E384 L385 V386 S387 N423 T425 A428 R431
Binding residue
(residue number reindexed from 1)		T262 E264 R293 E295 V302 F305 K307 E309 E375 L376 V377 S378 N414 T416 A419 R422
Annotation score1
Enzymatic activity
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:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rlt, PDBe:6rlt, PDBj:6rlt
PDBsum6rlt
PubMed31869198
UniProtD0A7P1

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