MolNFT v1 · #94215 · protein

Crystal structure of the catalytic subunit of camp-dependent protein kinase displaying partial phosphoryl transfer of AMP-pnp onto a substrate peptide

4HPU · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the catalytic subunit of camp-dependent protein kinase displaying partial phosphoryl…”. X-ray diffraction, 3 ligands (ANP, MYR, MG), 6 pockets (best…

PDB: 4HPU
Type: protein
Length: 358 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Camp-dependent protein kinase catalytic subunit alpha; Camp-dependent protein kinase…
EC: 2.7.11.11
UniProt: P05132, P63248
Ligands: ANP, MYR, MG
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11)	protein	339	37% helix, 16% strand	P05132
I	Camp-dependent protein kinase inhibitor alpha	protein	19	32% helix, 5% strand	P63248

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains E, I
MYR · Myristic acid · ligand · chains E
MG · Magnesium ion · metal · 2 copies · chains E, I

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

Pockets

6 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	217	0.80	0.94	36	ANP, MG
2	77	0.47	0.82	13	MYR
3	78	0.43	0.80	17	empty
4	134	0.40	0.75	31	empty
5	68	0.31	0.74	15	empty

Interfaces

1 interface between chains.

E–I · 1058 Å² buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified, 1 covalent (phosphorylation, covalent ligand).

Compared structures

4HPU · Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying… · the same entry in another collection · chain E against E, TM-score 1.00
P63248 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha… · a predicted model of the same protein · chain I against A, TM-score 0.42

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 P05132
Every structure of UniProt P63248
Elsewhere: RCSB PDB 4HPU · PDBe 4HPU · UniProt P05132 · UniProt P63248

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