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DNA-pkcs in complex with wortmannin

Analyse DNA-pkcs in complex with wortmannin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OTV
Type: protein
Length: 3,656 residues
Chains: 1
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA-dependent protein kinase catalytic SUBUNIT,DNA- dependent protein kinase catalytic…
EC: 2.7.11.1
UniProt: P78527
Ligands: KWT
Pockets: 20 · best druggability 0.83

Structure

electron microscopy · 1 distinct chain · 60% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA-dependent protein kinase catalytic SUBUNIT,DNA- dependent protein kinase catalytic SUBUNIT,DNA-pkcs (EC 2.7.11.1)	protein	3656	60% helix, 2% strand	P78527

Ligands and binding sites

KWT · (1s,6br,9as,11r,11br)-9A,11B-dimethyl-1-[(methyloxy) methyl]-3,6,9-trioxo-1,6,6B,7,8,9,9A,10,11,11B-decahydro-3H-furo[4, 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate · ligand · chains A

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1057	0.83	0.84	103	empty
2	597	0.82	0.87	83	empty
3	903	0.80	0.82	101	empty
4	1090	0.79	0.81	131	empty
5	882	0.77	0.80	64	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

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 P78527
Elsewhere: RCSB PDB 7OTV · PDBe 7OTV · UniProt P78527

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