MolNFT v1 · #157363 · protein

Lasr LBD:BB0020 complex

6MWH · Transcriptional regulator lasr: “Lasr LBD:BB0020 complex”. X-ray diffraction, 1 ligand (K5D), 4 pockets (best druggability 0.82). MolNFT v1 #157363 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6MWH
Type: protein
Length: 314 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator lasr
UniProt: A0A0H2Z901
Ligands: K5D
Pockets: 4 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator lasr	protein	161	53% helix, 19% strand	A0A0H2Z901
B	Transcriptional regulator lasr	protein	153	51% helix, 18% strand	A0A0H2Z901

Ligands and binding sites

K5D · 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	214	0.82	0.95	30	K5D
2	272	0.69	0.84	30	K5D
3	69	0.31	0.75	22	empty
4	54	0.25	0.72	15	empty

Interfaces

1 interface between chains.

A–B · 848 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6MWH · LasR LBD:BB0020 complex · 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 A0A0H2Z901
Elsewhere: RCSB PDB 6MWH · PDBe 6MWH · UniProt A0A0H2Z901

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