MolNFT v1 · #135778 · protein

Crystal structure of the coiled-coil domain from listeria innocua (tetragonal form)

5U96 · Putative integrase: “Crystal structure of the coiled-coil domain from listeria innocua (tetragonal form)”. X-ray diffraction, 5 pockets (best druggability 0.83). MolNFT v1 #135778 on GenesisL1: 3D structure, binding sites and…

PDB: 5U96
Type: protein
Length: 385 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative integrase
UniProt: Q928V6
Pockets: 5 · best druggability 0.83

Structure

x-ray diffraction · 6 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Putative integrase	protein	50	86% helix, 0% strand	Q928V6
B, E	Putative integrase	protein	49	76% helix, 0% strand	Q928V6
C	Putative integrase	protein	46	70% helix, 0% strand	Q928V6
F	Putative integrase	protein	49	84% helix, 0% strand	Q928V6
G	Putative integrase	protein	44	75% helix, 0% strand	Q928V6
H	Putative integrase	protein	48	83% helix, 0% strand	Q928V6

Pockets

5 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	774	0.83	0.86	90	empty
2	232	0.53	0.77	24	empty
3	64	0.50	0.85	12	empty
4	70	0.34	0.76	19	empty
5	51	0.31	0.77	12	empty

Interfaces

15 interfaces between chains.

G–H · 620 Å² buried · 7 hydrogen bonds · protein-protein
C–D · 566 Å² buried · 7 hydrogen bonds · protein-protein
E–H · 564 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 559 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 554 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5U96 · Crystal structure of the coiled-coil domain from Listeria Innocua (Tetragonal Form) · 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 Q928V6
Elsewhere: RCSB PDB 5U96 · PDBe 5U96 · UniProt Q928V6

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