MolNFT v1 · #49613 · protein

Crystal structure of the outer membrane protein opdk from pseudomonas aeruginosa

2QTK · Probable porin: “Crystal structure of the outer membrane protein opdk from pseudomonas aeruginosa”. X-ray diffraction, 6 pockets (best druggability 0.72). MolNFT v1 #49613 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2QTK
Type: protein
Length: 739 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable porin
UniProt: Q9HUR5
Pockets: 6 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 62% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable porin	protein	371	1% helix, 63% strand	Q9HUR5
B	Probable porin	protein	368	2% helix, 61% strand	Q9HUR5

Ligands and binding sites

C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 22 copies · chains B, A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	821	0.72	0.78	79	empty
2	984	0.71	0.75	110	empty
3	169	0.51	0.78	27	empty
4	88	0.44	0.80	14	empty
5	87	0.39	0.77	18	empty

Interfaces

1 interface between chains.

A–B · 284 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2QTK · Crystal Structure of the outer membrane protein opdK from 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 Q9HUR5
Elsewhere: RCSB PDB 2QTK · PDBe 2QTK · UniProt Q9HUR5

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