MolNFT v1 · #13436 · protein

Intact lactose operon repressor with gratuitous inducer iptg

1LBH: “Intact lactose operon repressor with gratuitous inducer iptg”. X-ray diffraction, 1 ligand (IPT), 11 pockets (best druggability 0.81). MolNFT v1 #13436 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1LBH
Type: protein
Length: 1,184 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Intact lactose operon repressor with gratuitous inducer iptg
UniProt: P03023
Ligands: IPT
Pockets: 11 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Intact lactose operon repressor with gratuitous inducer iptg	protein	296	43% helix, 19% strand	P03023

Ligands and binding sites

IPT · 1-methylethyl 1-thio-beta-D-galactopyranoside · 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, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.81	0.94	32	IPT
2	982	0.79	0.81	79	empty
3	268	0.78	0.90	37	IPT
4	270	0.77	0.90	39	IPT
5	422	0.76	0.85	58	IPT

Interfaces

6 interfaces between chains.

A–B · 2215 Å² buried · 18 hydrogen bonds · protein-protein
C–D · 2157 Å² buried · 17 hydrogen bonds · protein-protein
B–D · 789 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 581 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 187 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1LBH · Intact lactose operon repressor with gratuitous inducer iptg · the same entry in another collection · chain A against A, TM-score 1.00
P03023 · AlphaFold monomer V2.0 prediction for lactose operon repressor (P03023) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 P03023
Elsewhere: RCSB PDB 1LBH · PDBe 1LBH · UniProt P03023

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