MolNFT v1 · #115501 · protein

Crystal structure of LEGK4_APO kinase

5CLR: “Crystal structure of LEGK4_APO kinase”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #115501 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5CLR
Type: protein
Length: 697 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LEGK4
UniProt: Q5WZW9
Pockets: 6 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LEGK4	protein	376	51% helix, 14% strand	Q5WZW9
B	LEGK4	protein	321	49% helix, 13% strand	Q5WZW9

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	223	0.59	0.80	30	empty
2	267	0.57	0.78	38	empty
3	120	0.47	0.78	26	empty
4	121	0.41	0.76	21	empty
5	62	0.32	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 894 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

5CLR · Crystal structure of LegK4_APO Kinase · the same entry in another collection · chain A against A, TM-score 1.00

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 Q5WZW9
Elsewhere: RCSB PDB 5CLR · PDBe 5CLR · UniProt Q5WZW9

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