MolNFT v1 · #67866 · protein

Lasr-TP1 complex

3IX4 · Transcriptional activator protein lasr: “Lasr-TP1 complex”. X-ray diffraction, 1 ligand (TX1), 18 pockets (best druggability 0.82). MolNFT v1 #67866 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3IX4
Type: protein
Length: 1,330 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional activator protein lasr
UniProt: P25084
Ligands: TX1
Pockets: 18 · best druggability 0.82

Structure

x-ray diffraction · 4 distinct chains · 55% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional activator protein lasr	protein	163	55% helix, 18% strand	P25084
B, D, F	Transcriptional activator protein lasr	protein	166	55% helix, 16% strand	P25084
C, G, H	Transcriptional activator protein lasr	protein	168	55% helix, 17% strand	P25084
E	Transcriptional activator protein lasr	protein	165	55% helix, 17% strand	P25084

Ligands and binding sites

TX1 · 2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate · ligand · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

18 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	213	0.82	0.95	28	TX1
2	224	0.82	0.94	30	TX1
3	210	0.81	0.95	33	TX1
4	220	0.81	0.94	31	TX1
5	218	0.81	0.94	30	TX1

Interfaces

11 interfaces between chains.

D–G · 1108 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 1087 Å² buried · 13 hydrogen bonds · protein-protein
F–H · 443 Å² buried · 2 hydrogen bonds · protein-protein
C–G · 430 Å² buried · 4 hydrogen bonds · protein-protein
B–F · 383 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3IX4 · LasR-TP1 complex · the same entry in another collection · chain H against H, TM-score 1.00
P25084 · AlphaFold monomer V2.0 prediction for transcriptional activator protein lasr (P25084) · a predicted model of the same protein · chain E 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 3IX4 · PDBe 3IX4 · UniProt P25084

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