Structure of PDB 6ote Chain A Binding Site BS01

Receptor Information
>6ote Chain A (length=409) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDINRIRVEKGGDYQKIAESEMARYKGLETLEELVKVDQKWREDMFKLEQ
SKKESVQLKKNLPIIEKQALETEEVRDKLWHKIGNVLQPDVPISNTEDDN
LVLRTWGEIPDIKVDGTPGKLHHNEIMSRLGFYDSVKGAELAGHRGYFLK
DYGVIMSMALSHYAMGFLLKKGYLAIQPPYFMKRDLMGKAAELQDFEETL
YHIPSDNSKGEVDSNSLFLIATSEQPIAAMHHNVTLEDKDLPIKYAGIST
CFRKEAGAHGKDTWGIFRIHQFEKVEQFCVTLPEDSQKIHEEMISISEEF
YQSLELPYRVISIVSGALNDAASKKYDLEAWFPGYNSYRELVSCSNCTDY
QSRALECRLKHYCHFLNGTLCAIQRTMCCIVENYQTPDGLRIPKVLQPYM
NGVEFIPFK
Ligand information
Ligand IDSSA
InChIInChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(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)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
InChIKeyHQXFJGONGJPTLZ-YTMOPEAISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N
CACTVS 3.341N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04O=C(NS(=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)COS(=O)(=O)NC(=O)C(CO)N)O)O)N
FormulaC13 H19 N7 O8 S
Name5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
ChEMBLCHEMBL1163070
DrugBankDB03869
ZINCZINC000013542770
PDB chain6ote Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ote Crystal Structure of Seryl-tRNA synthetase (SerRS) from Cryptosporidium parvum complexed with L-Serylsulfamoyl Adenosine
Resolution2.95 Å
Binding residue
(original residue number in PDB)
T250 E252 R281 E283 R296 I297 F300 E304 E368 L369 S371 N404 T406 A409 R412
Binding residue
(residue number reindexed from 1)
T222 E224 R253 E255 R268 I269 F272 E276 E340 L341 S343 N367 T369 A372 R375
Annotation score2
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
GO:0046872 metal ion 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:6ote, PDBe:6ote, PDBj:6ote
PDBsum6ote
PubMed
UniProtQ5CVB3

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