MolNFT v1 · #101365 · protein

Crystal structure of an organic hydroperoxide resistance protein from burkholderia cenocepacia

4NOZ: “Crystal structure of an organic hydroperoxide resistance protein from burkholderia cenocepacia”. X-ray diffraction, 3 pockets (best druggability 0.66). MolNFT v1 #101365 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NOZ
Type: protein
Length: 290 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Organic hydroperoxide resistance protein
UniProt: B4EPK2
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Organic hydroperoxide resistance protein	protein	142	33% helix, 33% strand	B4EPK2
B	Organic hydroperoxide resistance protein	protein	148	32% helix, 32% strand	B4EPK2

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 7 copies · chains A, B

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

Pockets

3 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	237	0.66	0.83	29	EDO
2	234	0.64	0.82	30	EDO
3	73	0.34	0.76	16	EDO

Interfaces

1 interface between chains.

A–B · 3339 Å² buried · 54 hydrogen bonds · protein-protein

Compared structures

4NOZ · Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia… · 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 B4EPK2
Elsewhere: RCSB PDB 4NOZ · PDBe 4NOZ · UniProt B4EPK2

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