Structure of PDB 6ote Chain A Binding Site BS01
Receptor Information
>6ote Chain A (length=409) Species:
353152
(Cryptosporidium parvum Iowa II) [
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IDINRIRVEKGGDYQKIAESEMARYKGLETLEELVKVDQKWREDMFKLEQ
SKKESVQLKKNLPIIEKQALETEEVRDKLWHKIGNVLQPDVPISNTEDDN
LVLRTWGEIPDIKVDGTPGKLHHNEIMSRLGFYDSVKGAELAGHRGYFLK
DYGVIMSMALSHYAMGFLLKKGYLAIQPPYFMKRDLMGKAAELQDFEETL
YHIPSDNSKGEVDSNSLFLIATSEQPIAAMHHNVTLEDKDLPIKYAGIST
CFRKEAGAHGKDTWGIFRIHQFEKVEQFCVTLPEDSQKIHEEMISISEEF
YQSLELPYRVISIVSGALNDAASKKYDLEAWFPGYNSYRELVSCSNCTDY
QSRALECRLKHYCHFLNGTLCAIQRTMCCIVENYQTPDGLRIPKVLQPYM
NGVEFIPFK
Ligand information
Ligand ID
SSA
InChI
InChI=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
InChIKey
HQXFJGONGJPTLZ-YTMOPEAISA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.341
N[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 10.04
O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CO)N)O)O)N
Formula
C13 H19 N7 O8 S
Name
5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE
ChEMBL
CHEMBL1163070
DrugBank
DB03869
ZINC
ZINC000013542770
PDB chain
6ote Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6ote
Crystal Structure of Seryl-tRNA synthetase (SerRS) from Cryptosporidium parvum complexed with L-Serylsulfamoyl Adenosine
Resolution
2.95 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 score
2
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
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6ote
,
PDBe:6ote
,
PDBj:6ote
PDBsum
6ote
PubMed
UniProt
Q5CVB3
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