MolNFT v1 · #181581 · protein

Crystal structure of A211D mutant of protein kinase a ria subunit, a carney complex mutation

7LZ4 · Camp-dependent protein kinase type I-alpha regulatory…: “Crystal structure of A211D mutant of protein kinase a ria subunit, a carney complex mutation”. X-ray diffraction, 1 ligand (CMP), 20 pockets (best druggability 0.73). MolNFT…

PDB: 7LZ4
Type: protein
Length: 2,142 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Camp-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed
UniProt: P00514
Ligands: CMP
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, E, F, G, H	Camp-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed	protein	268	31% helix, 31% strand	P00514
D	Camp-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed	protein	266	32% helix, 31% strand	P00514

Ligands and binding sites

CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 16 copies · chains A, B, C, D, E, F, G, H

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	516	0.73	0.82	65	CMP
2	248	0.69	0.85	49	CMP
3	579	0.69	0.78	79	empty
4	857	0.69	0.75	78	empty
5	871	0.68	0.74	77	empty

Interfaces

16 interfaces between chains.

B–D · 540 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 539 Å² buried · 4 hydrogen bonds · protein-protein
F–H · 481 Å² buried · 4 hydrogen bonds · protein-protein
C–E · 480 Å² buried · 4 hydrogen bonds · protein-protein
E–G · 460 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7LZ4 · Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex… · the same entry in another collection · chain H against H, TM-score 1.00
P00514 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type I-alpha… · a predicted model of the same protein · chain D against A, TM-score 0.46

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 P00514
Elsewhere: RCSB PDB 7LZ4 · PDBe 7LZ4 · UniProt P00514

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