MolNFT v1 · #75340 · protein

Crystal structure of camp bound (91-244)RIA subunit of camp-dependent protein kinase

3PNA · Camp-dependent protein kinase type I-alpha regulatory…: “Crystal structure of camp bound (91-244)RIA subunit of camp-dependent protein kinase”. X-ray diffraction, 1 ligand (CMP), 5 pockets (best druggability 0.47). MolNFT v1 #75340…

PDB: 3PNA
Type: protein
Length: 254 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Camp-dependent protein kinase type I-alpha regulatory subunit
EC: 2.7.1.37
UniProt: P00514
Ligands: CMP
Pockets: 5 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Camp-dependent protein kinase type I-alpha regulatory subunit (EC 2.7.1.37)	protein	129	35% helix, 30% strand	P00514
B	Camp-dependent protein kinase type I-alpha regulatory subunit (EC 2.7.1.37)	protein	125	32% helix, 31% strand	P00514

Ligands and binding sites

CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	146	0.47	0.77	27	GOL
2	96	0.39	0.77	22	empty
3	66	0.38	0.79	13	CMP
4	58	0.36	0.79	15	CMP
5	58	0.29	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 620 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3PNA · Crystal Structure of cAMP bound (91-244)RIa Subunit of cAMP-dependent Protein Kinase · the same entry in another collection · chain A against A, 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 B against A, TM-score 0.83

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 3PNA · PDBe 3PNA · UniProt P00514

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