Structure of PDB 7ax4 Chain A Binding Site BS01

Receptor Information
>7ax4 Chain A (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVELRVVLKVLDPSHHDIAL
AFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRER
GHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSP
FIKLSDPGVGLGALSREERVERIPWLAPECLPSLSTAMDKWGFGATLLEI
CFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRP
SFRTILRDLTR
Ligand information
Ligand IDNM7
InChIInChI=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)
InChIKeySAYGKHKXGCPTLX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N
OpenEye OEToolkits 1.7.0c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F
CACTVS 3.370NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2
FormulaC12 H10 F N3 O2 S
Name2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
ChEMBLCHEMBL257167
DrugBankDB17058
ZINCZINC000003960707
PDB chain7ax4 Chain A Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ax4 Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System.
Resolution2.12 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 score1
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
PDBsum7ax4
PubMed33783261
UniProtP29597|TYK2_HUMAN Non-receptor tyrosine-protein kinase TYK2 (Gene Name=TYK2)

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