Structure of PDB 3zon Chain A Binding Site BS01

Receptor Information
>3zon 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]
SQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVELRVVLKVLDPSHHDI
ALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRR
ERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGT
SPFIKLSDPGVGLGALSREERVERIPWLAPECLPLSTAMDKWGFGATLLE
ICFDGEAPLQSRSPSEKEHFYQRQHRLPEPQLATLTSQCLTYEPTQRPSF
RTILRDLTRLQ
Ligand information
Ligand IDIK1
InChIInChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKeyPSVUSJKZJQMCSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N
ACDLabs 12.01O=C(Nc1sc(cc1C(=O)N)c2ccccc2)N
CACTVS 3.385NC(=O)Nc1sc(cc1C(N)=O)c2ccccc2
FormulaC12 H11 N3 O2 S
Name5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE
ChEMBLCHEMBL404609
DrugBank
ZINCZINC000022065874
PDB chain3zon Chain A Residue 1871 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3zon Human Tyk2 Pseudokinase Domain Bound to a Kinase Inhibitor
Resolution2.15 Å
Binding residue
(original residue number in PDB)		V640 K642 T687 E688 Y689 V690 L741
Binding residue
(residue number reindexed from 1)		V39 K41 T86 E87 Y88 V89 L140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N734 R738 N739 D759
Catalytic site (residue number reindexed from 1) N133 R137 N138 D158
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zon, PDBe:3zon, PDBj:3zon
PDBsum3zon
PubMed
UniProtP29597|TYK2_HUMAN Non-receptor tyrosine-protein kinase TYK2 (Gene Name=TYK2)

[Back to BioLiP]