MolNFT v1 · #60229 · protein

Crystal structure of a transcription regulator from lactobacillus plantarum

3CLK: “Crystal structure of a transcription regulator from lactobacillus plantarum”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #60229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CLK
Type: protein
Length: 513 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcription regulator
UniProt: Q88S23
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcription regulator	protein	251	39% helix, 19% strand	Q88S23
B	Transcription regulator	protein	262	42% helix, 18% strand	Q88S23

Ligands and binding sites

GOL · Glycerol · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	662	0.75	0.81	54	empty
2	217	0.63	0.82	29	GOL
3	135	0.51	0.80	26	empty
4	70	0.48	0.83	17	empty
5	95	0.47	0.81	22	empty

Interfaces

1 interface between chains.

A–B · 1157 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

3CLK · Crystal structure of a transcription regulator from Lactobacillus plantarum · 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 Q88S23
Elsewhere: RCSB PDB 3CLK · PDBe 3CLK · UniProt Q88S23

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