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Crystal structure of multidrug binding transcriptional regulator lmrr complexed with daunomycin

Analyse Crystal structure of multidrug binding transcriptional regulator lmrr complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3F8F
Type: protein
Length: 225 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, padr-like family
UniProt: A2RI36
Ligands: DM1
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, padr-like family	protein	114	66% helix, 10% strand	A2RI36
B	Transcriptional regulator, padr-like family	protein	111	65% helix, 12% strand	A2RI36

Ligands and binding sites

DM1 · Daunomycin · ligand · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	904	0.74	0.77	71	DM1

Interfaces

1 interface between chains.

A–B · 1595 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

3F8F · Crystal structure of multidrug binding transcriptional regulator LmrR complexed with… · 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 A2RI36
Elsewhere: RCSB PDB 3F8F · PDBe 3F8F · UniProt A2RI36

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