MolNFT v1 · #170976 · protein

Crystal structure of the camp-dependent protein kinase a in complex with PYRIDO[3,2-D]PYRIMIDIN-4-amine (soaked)

6YOU · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the camp-dependent protein kinase a in complex with PYRIDO[3,2-D]PYRIMIDIN-4-amine…”. X-ray diffraction, 1 ligand (P4Q), 3 pockets (best druggability…

PDB: 6YOU
Type: protein
Length: 338 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Camp-dependent protein kinase catalytic subunit alpha
EC: 2.7.11.11
UniProt: P25321
Ligands: P4Q
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11)	protein	338	38% helix, 15% strand	P25321

Ligands and binding sites

P4Q · pyrido[3,2-d]pyrimidin-4-amine · ligand · chains A

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

Pockets

3 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	316	0.68	0.82	38	P4Q
2	97	0.49	0.81	12	empty
3	69	0.32	0.75	18	empty

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

6YOU · Crystal structure of the cAMP-dependent protein kinase A in complex with… · 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 P25321
Elsewhere: RCSB PDB 6YOU · PDBe 6YOU · UniProt P25321

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