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Crystal structure of lasr-AQS1 complex from pseudomonas aeruginosa

Analyse Crystal structure of lasr-AQS1 complex from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6V7W
Type: protein
Length: 689 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator lasr; Quorum sensing anti-activator protein AQS1
UniProt: A0A0H2Z901, A0SML3
Ligands: OHN
Pockets: 9 · best druggability 0.83

Structure

x-ray diffraction · 6 distinct chains · 55% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Transcriptional regulator lasr	protein	232	50% helix, 13% strand	A0A0H2Z901
A	Quorum sensing anti-activator protein AQS1	protein	55	65% helix, 0% strand	A0SML3
C	Quorum sensing anti-activator protein AQS1	protein	55	64% helix, 0% strand	A0SML3
E	Transcriptional regulator lasr	protein	234	48% helix, 12% strand	A0A0H2Z901
D	Quorum sensing anti-activator protein AQS1	protein	56	71% helix, 0% strand	A0SML3
F	Quorum sensing anti-activator protein AQS1	protein	57	72% helix, 0% strand	A0SML3

Ligands and binding sites

OHN · N-3-oxo-dodecanoyl-L-homoserine lactone · ligand · 2 copies · chains B, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	202	0.83	0.96	32	OHN
2	171	0.82	0.97	28	OHN
3	369	0.68	0.81	44	empty
4	343	0.58	0.76	48	empty
5	165	0.47	0.77	25	empty

Interfaces

7 interfaces between chains.

B–E · 893 Å² buried · 9 hydrogen bonds · protein-protein
D–F · 819 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 813 Å² buried · 2 hydrogen bonds · protein-protein
E–F · 739 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 615 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6V7W · Crystal structure of LasR-Aqs1 complex from Pseudomonas aeruginosa · the same entry in another collection · chain B against B, 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
Every structure of UniProt A0SML3
Elsewhere: RCSB PDB 6V7W · PDBe 6V7W · UniProt A0A0H2Z901 · UniProt A0SML3

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