MolNFT v1 · #50034 · protein

Crystal structure of bacillus stearothermophilus uvra

2R6F · Excinuclease ABC subunit a: “Crystal structure of bacillus stearothermophilus uvra”. X-ray diffraction, 2 ligands (ADP, ZN), 20 pockets (best druggability 0.82). MolNFT v1 #50034 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 2R6F
Type: protein
Length: 1,778 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Excinuclease ABC subunit a
Ligands: ADP, ZN
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Excinuclease ABC subunit a	protein	899	37% helix, 18% strand	—
B	Excinuclease ABC subunit a	protein	879	38% helix, 17% strand	—

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B
ZN · Zinc ion · metal · 6 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	998	0.82	0.83	103	ADP
2	984	0.81	0.82	93	ADP
3	194	0.77	0.92	36	empty
4	786	0.77	0.81	79	empty
5	160	0.73	0.91	32	empty

Interfaces

1 interface between chains.

A–B · 2515 Å² buried · 29 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

2R6F · Crystal Structure of Bacillus stearothermophilus UvrA · 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 2R6F · PDBe 2R6F

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.