MolNFT v1 · #135773 · protein + DNA

Crystal structure of TRE/LOXLTR complex

5U91 · Tre recombinase protein: “Crystal structure of TRE/LOXLTR complex”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #135773 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5U91
Type: protein + DNA
Length: 1,451 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tre recombinase protein; DNA (37-mer)
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 6 distinct chains · 55% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tre recombinase protein	protein	330	53% helix, 5% strand	—
B	Tre recombinase protein	protein	327	56% helix, 8% strand	—
E	Tre recombinase protein	protein	326	56% helix, 6% strand	—
F	Tre recombinase protein	protein	320	55% helix, 7% strand	—
C, G	DNA (37-mer)	dna	37	—	—
D, H	DNA (37-mer)	dna	37	—	—

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	806	0.82	0.86	89	empty
2	994	0.82	0.83	112	empty
3	475	0.82	0.89	35	empty
4	674	0.78	0.83	78	empty
5	421	0.71	0.82	42	empty

Interfaces

16 interfaces between chains.

A–B · 2100 Å² buried · 18 hydrogen bonds · protein-protein
E–F · 2036 Å² buried · 21 hydrogen bonds · protein-protein
B–E · 1705 Å² buried · 19 hydrogen bonds · protein-protein
G–H · 1665 Å² buried · 145 hydrogen bonds · nucleic-nucleic
A–F · 1654 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

5U91 · Crystal structure of Tre/loxLTR 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
Elsewhere: RCSB PDB 5U91 · PDBe 5U91

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