MolNFT v1 · #169950 · protein

Chromosomal parde ta system from P. aeruginosa

6XRW · Plasmid stabilisation system protein: “Chromosomal parde ta system from P. aeruginosa”. X-ray diffraction, 1 ligand (BEN), 4 pockets (best druggability 0.72). MolNFT v1 #169950 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6XRW
Type: protein
Length: 339 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Plasmid stabilisation system protein; Ribbon-helix-helix protein, copg family
UniProt: A0A072ZG36, A0A069QCW3
Ligands: BEN
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 55% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Plasmid stabilisation system protein	protein	92	45% helix, 27% strand	A0A072ZG36
B	Ribbon-helix-helix protein, copg family	protein	79	66% helix, 4% strand	A0A069QCW3
C	Plasmid stabilisation system protein	protein	93	43% helix, 27% strand	A0A072ZG36
D	Ribbon-helix-helix protein, copg family	protein	75	69% helix, 4% strand	A0A069QCW3

Ligands and binding sites

BEN · Benzamidine · ligand · chains A, B, C, D
GOL · Glycerol · additive · 4 copies · chains A, C, D
2PE · Nonaethylene glycol · additive · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	53	0.72	0.99	16	BEN
2	183	0.44	0.74	28	2PE
3	108	0.39	0.75	19	empty
4	70	0.31	0.74	16	empty

Interfaces

6 interfaces between chains.

C–D · 1312 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 1307 Å² buried · 22 hydrogen bonds · protein-protein
B–D · 399 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 143 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 129 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6XRW · Chromosomal ParDE TA system from P. aeruginosa · 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 A0A072ZG36
Every structure of UniProt A0A069QCW3
Elsewhere: RCSB PDB 6XRW · PDBe 6XRW · UniProt A0A072ZG36 · UniProt A0A069QCW3

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