MolNFT v1 · #42160 · protein

Solution structure of psd-95 PDZ12 complexed with cypin peptide

2KA9 · Disks large homolog 4: “Solution structure of psd-95 PDZ12 complexed with cypin peptide”. Solution nmr, 1 pocket (best druggability 0.70). MolNFT v1 #42160 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2KA9
Type: protein
Length: 207 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Disks large homolog 4; Cypin peptide
UniProt: P31016
Pockets: 1 · best druggability 0.70

Structure

solution nmr · 2 distinct chains · 15% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Disks large homolog 4	protein	189	15% helix, 31% strand	P31016
B, C	Cypin peptide	protein	9	0% helix, 22% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	86	0.70	0.93	30	empty

Interfaces

2 interfaces between chains.

A–C · 371 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 357 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2KA9 · Solution structure of PSD-95 PDZ12 complexed with cypin peptide · the same entry in another collection · chain A against A, TM-score 1.00
P31016 · AlphaFold monomer V2.0 prediction for disks large homolog 4 (P31016) · a predicted model of the same protein · chain A against A, TM-score 0.50

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 P31016
Elsewhere: RCSB PDB 2KA9 · PDBe 2KA9 · UniProt P31016

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