MolNFT v1 · #153646 · protein

Pppa, a key regulatory component of T6SS in pseudomonas aeruginosa

6JKV: “Pppa, a key regulatory component of T6SS in pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.70). MolNFT v1 #153646 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JKV
Type: protein
Length: 457 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pppa
UniProt: Q9I757
Ligands: MN
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pppa	protein	230	33% helix, 30% strand	Q9I757
B	Pppa	protein	227	33% helix, 31% strand	Q9I757

Ligands and binding sites

MN · Manganese (II) ion · metal · 4 copies · chains A, B

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

Pockets

5 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	543	0.70	0.80	59	empty
2	194	0.49	0.76	23	MN
3	154	0.48	0.78	24	MN
4	132	0.47	0.78	43	empty
5	113	0.40	0.76	23	empty

Interfaces

1 interface between chains.

A–B · 527 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6JKV · PppA, a key regulatory component of T6SS in Pseudomonas 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 Q9I757
Elsewhere: RCSB PDB 6JKV · PDBe 6JKV · UniProt Q9I757

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