MolNFT v1 · #66472 · protein

Crystal structure of a mutant of human PDK1 kinase domain in complex with ATP

3HRC · 3-phosphoinositide-dependent protein kinase 1: “Crystal structure of a mutant of human PDK1 kinase domain in complex with ATP”. X-ray diffraction, 1 ligand (ATP), 2 pockets (best druggability 0.61). MolNFT v1 #66472 on GenesisL1: 3D…

PDB: 3HRC
Type: protein
Length: 280 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-phosphoinositide-dependent protein kinase 1
EC: 2.7.11.1
UniProt: O15530
Ligands: ATP
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-phosphoinositide-dependent protein kinase 1 (EC 2.7.11.1)	protein	280	40% helix, 18% strand	O15530

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	323	0.61	0.78	34	ATP
2	62	0.25	0.72	16	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

3HRC · Crystal structure of a mutant of human PDK1 Kinase domain in complex with ATP · the same entry in another collection · chain A against A, TM-score 1.00

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 O15530
Elsewhere: RCSB PDB 3HRC · PDBe 3HRC · UniProt O15530

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