MolNFT v1 · #101638 · protein

Dibenzothiophene monooxygenase (dszc) from rhodococcus erythropolis

4NXL: “Dibenzothiophene monooxygenase (dszc) from rhodococcus erythropolis”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #101638 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NXL
Type: protein
Length: 1,596 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dszc
UniProt: Q64F43
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Dszc	protein	399	59% helix, 11% strand	Q64F43

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	401	0.83	0.92	58	empty
2	421	0.82	0.90	67	empty
3	466	0.78	0.86	57	empty
4	246	0.77	0.90	50	empty
5	344	0.70	0.83	38	empty

Interfaces

6 interfaces between chains.

B–C · 1911 Å² buried · 18 hydrogen bonds · protein-protein
A–D · 1862 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1531 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1489 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 272 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4NXL · Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis · 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 Q64F43
Elsewhere: RCSB PDB 4NXL · PDBe 4NXL · UniProt Q64F43

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