Structure of PDB 6cnh Chain A Binding Site BS01

Receptor Information
>6cnh Chain A (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDFWTDAEGYYRVNIGEVLDKRYNVYGYTGQGVFSNVVRARDNARANQE
VAVKIIRNNELMQKTGLKELEFLKKLNDADPDDKFHCLRLLRHFYHKQHL
CLVFEPLSMNLREVLKKYGKDVGLHIKAVRSYSQQLFLALKLLKRCNILH
ADIKPDNILVNESKTILKLCDFLFSRFYRAPEIIIGKSYDYGIDMWSVGC
TLYELYTGKILFPGKTNNHMLKLAMDLKGKMPNKMIRKGVFKDQHFDQNL
NFMYIEEKVTVMSTINPTKDLLADLIGCQRLPEDQRKKVHQLKDLLDQIL
MLDPAKRISINQALQHAFIQE
Ligand information
Ligand ID919
InChIInChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
InChIKeyWVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NC)c5nccc(Oc1ccc(c(F)c1)NC(=O)Nc4cc(nn4c3ccc2ncccc2c3)C(C)(C)C)c5
CACTVS 3.370CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1
OpenEye OEToolkits 1.7.0CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC
FormulaC30 H28 F N7 O3
Name4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;
DCC-2036
ChEMBLCHEMBL1738757
DrugBankDB13005
ZINCZINC000063933734
PDB chain6cnh Chain A Residue 1101 [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]
PDB6cnh Crystal structure of the human PRPF4B in complex with Rebastinib
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S655 T693 Q695 V701 R703 A715 K717 T728 E732 L739 L751 F767 L770 C833 D834 F835
Binding residue
(residue number reindexed from 1)		S1 T30 Q32 V38 R40 A52 K54 T65 E69 L76 L88 F104 L107 C170 D171 F172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D815 K817 N820 D834 S852
Catalytic site (residue number reindexed from 1) D152 K154 N157 D171 S175
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0045292 mRNA cis splicing, via spliceosome

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6cnh, PDBe:6cnh, PDBj:6cnh
PDBsum6cnh
PubMed
UniProtQ13523|PRP4K_HUMAN Serine/threonine-protein kinase PRP4 homolog (Gene Name=PRP4K)

[Back to BioLiP]