MolNFT v1 · #43690 · protein

Solution structure of apo-nmtr

2LKP · Hth-type transcriptional regulator nmtr: “Solution structure of apo-nmtr”. Solution nmr, 5 pockets (best druggability 0.70). MolNFT v1 #43690 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2LKP
Type: protein
Length: 238 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hth-type transcriptional regulator nmtr
UniProt: O69711
Pockets: 5 · best druggability 0.70

Structure

solution nmr · 1 distinct chain · 55% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hth-type transcriptional regulator nmtr	protein	119	55% helix, 10% strand	O69711

Pockets

5 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	366	0.70	0.82	47	empty
2	104	0.66	0.89	25	empty
3	267	0.60	0.79	33	empty
4	92	0.45	0.80	21	empty
5	76	0.40	0.78	17	empty

Interfaces

1 interface between chains.

A–B · 1255 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2LKP · solution structure of apo-NmtR · the same entry in another collection · chain A against A, TM-score 1.00
O69711 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator nmtr (O69711) · a predicted model of the same protein · chain A against A, TM-score 0.68

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 O69711
Elsewhere: RCSB PDB 2LKP · PDBe 2LKP · UniProt O69711

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