MolNFT v1 · #39526 · protein

Crystal structure of rii alpha DIMERIZATION/DOCKING domain of PKA bound to the D-AKAP2 peptide

2HWN · Camp-dependent protein kinase type II-alpha regulatory…: “Crystal structure of rii alpha DIMERIZATION/DOCKING domain of PKA bound to the D-AKAP2 peptide”. X-ray diffraction, 1 pocket (best druggability 0.37). MolNFT v1 #39526 on…

PDB: 2HWN
Type: protein
Length: 206 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Camp-dependent protein kinase type II-alpha regulatory subunit; A kinase binding peptide
EC: 2.7.11.11
UniProt: P12368
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 6 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Camp-dependent protein kinase type II-alpha regulatory subunit (EC 2.7.11.11)	protein	39	77% helix, 0% strand	P12368
B	Camp-dependent protein kinase type II-alpha regulatory subunit (EC 2.7.11.11)	protein	45	69% helix, 0% strand	P12368
C	Camp-dependent protein kinase type II-alpha regulatory subunit (EC 2.7.11.11)	protein	40	75% helix, 0% strand	P12368
D	Camp-dependent protein kinase type II-alpha regulatory subunit (EC 2.7.11.11)	protein	43	70% helix, 0% strand	P12368
E	A kinase binding peptide	protein	19	84% helix, 0% strand	—
F	A kinase binding peptide	protein	20	85% helix, 0% strand	—

Ligands and binding sites

GOL · Glycerol · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	104	0.37	0.74	22	empty

Interfaces

9 interfaces between chains.

C–D · 1083 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 1017 Å² buried · 3 hydrogen bonds · protein-protein
C–F · 451 Å² buried · 2 hydrogen bonds · protein-protein
A–E · 424 Å² buried · 3 hydrogen bonds · protein-protein
D–F · 416 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2HWN · Crystal Structure of RII alpha Dimerization/Docking domain of PKA bound to the D-AKAP2… · the same entry in another collection · chain F against F, TM-score 1.00
P12368 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type II-alpha… · a predicted model of the same protein · chain C against A, TM-score 0.93

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 P12368
Elsewhere: RCSB PDB 2HWN · PDBe 2HWN · UniProt P12368

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