MolNFT v1 · #84036 · protein

Crystal structure of apo-dszc from rhodococcus erythropolis D-1

3X0X: “Crystal structure of apo-dszc from rhodococcus erythropolis D-1”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #84036 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3X0X
Type: protein
Length: 3,200 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dszc
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D, C, E, F, G, H	Dszc	protein	400	58% helix, 11% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	559	0.86	0.92	81	empty
2	1109	0.85	0.87	116	empty
3	567	0.85	0.90	84	empty
4	463	0.85	0.92	59	empty
5	638	0.84	0.89	87	empty

Interfaces

21 interfaces between chains.

E–G · 2118 Å² buried · 17 hydrogen bonds · protein-protein
F–H · 2035 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 2001 Å² buried · 20 hydrogen bonds · protein-protein
D–C · 2001 Å² buried · 18 hydrogen bonds · protein-protein
G–H · 1529 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

3X0X · Crystal structure of apo-DszC from Rhodococcus erythropolis D-1 · 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
Elsewhere: RCSB PDB 3X0X · PDBe 3X0X

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