MolNFT v2 · #172862 · protein

CLK1 bound with beta-carboline KH-CARB13 (Cpd 3)

6YTG: “CLK1 bound with beta-carboline KH-CARB13 (Cpd 3)”. X-ray diffraction at 1.95, 1 ligand (KHC). MolNFT v2 #172862 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6YTG
Type: protein
Length: 331 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.95
Source: Homo sapiens
UniProt: P49759
Ligands: KHC

Structure

x-ray diffraction · resolution 1.95 · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	331	—	P49759

Ligands and binding sites

KHC · (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile · ligand · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6YTG · CLK1 bound with beta-carboline kh-CARB13 (cpd 3) · the same entry in another collection · chain A against A, TM-score 1.00
P49759 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK1 (P49759) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P49759
Elsewhere: RCSB PDB 6YTG · PDBe 6YTG · UniProt P49759

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