MolNFT v1 · #67869 · protein

Lasr-TP3 complex

3IX8 · Transcriptional activator protein lasr: “Lasr-TP3 complex”. X-ray diffraction, 1 ligand (TX3), 11 pockets (best druggability 0.81). MolNFT v1 #67869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3IX8
Type: protein
Length: 660 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional activator protein lasr
UniProt: P25084
Ligands: TX3
Pockets: 11 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	Transcriptional activator protein lasr	protein	166	55% helix, 16% strand	P25084
B	Transcriptional activator protein lasr	protein	162	55% helix, 16% strand	P25084

Ligands and binding sites

TX3 · 2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate · ligand · 4 copies · chains A, B, C, D

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	227	0.81	0.93	29	TX3
2	224	0.80	0.93	31	TX3
3	222	0.80	0.93	33	TX3
4	231	0.79	0.92	35	TX3
5	600	0.64	0.75	41	empty

Interfaces

4 interfaces between chains.

C–D · 1009 Å² buried · 13 hydrogen bonds · protein-protein
A–B · 945 Å² buried · 12 hydrogen bonds · protein-protein
A–D · 406 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 153 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3IX8 · LasR-TP3 complex · the same entry in another collection · chain A against A, TM-score 1.00
P25084 · AlphaFold monomer V2.0 prediction for transcriptional activator protein lasr (P25084) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P25084
Elsewhere: RCSB PDB 3IX8 · PDBe 3IX8 · UniProt P25084

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