Structure of PDB 7ax4 Chain A Binding Site BS01
Receptor Information
>7ax4 Chain A (length=261) Species:
9606
(Homo sapiens) [
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LSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVELRVVLKVLDPSHHDIAL
AFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRER
GHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSP
FIKLSDPGVGLGALSREERVERIPWLAPECLPSLSTAMDKWGFGATLLEI
CFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRP
SFRTILRDLTR
Ligand information
Ligand ID
NM7
InChI
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
InChIKey
SAYGKHKXGCPTLX-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N
OpenEye OEToolkits 1.7.0
c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F
CACTVS 3.370
NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2
Formula
C12 H10 F N3 O2 S
Name
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
ChEMBL
CHEMBL257167
DrugBank
DB17058
ZINC
ZINC000003960707
PDB chain
7ax4 Chain A Residue 2000 [
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Receptor-Ligand Complex Structure
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PDB
7ax4
Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System.
Resolution
2.12 Å
Binding residue
(original residue number in PDB)
Q597 V640 K642 T687 E688 Y689 V690 P694 L741
Binding residue
(residue number reindexed from 1)
Q19 V37 K39 T84 E85 Y86 V87 P91 L138
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
N734 R738 N739 D759
Catalytic site (residue number reindexed from 1)
N131 R135 N136 D156
Enzyme Commision number
2.7.10.2
: non-specific protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672
protein kinase activity
GO:0005524
ATP binding
Biological Process
GO:0006468
protein phosphorylation
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Molecular Function
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Biological Process
External links
PDB
RCSB:7ax4
,
PDBe:7ax4
,
PDBj:7ax4
PDBsum
7ax4
PubMed
33783261
UniProt
P29597
|TYK2_HUMAN Non-receptor tyrosine-protein kinase TYK2 (Gene Name=TYK2)
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