MolNFT v1 · #46631 · protein

Restriction endonuclease mvai in the absence of DNA

2OA9 · R.MVAI: “Restriction endonuclease mvai in the absence of DNA”. X-ray diffraction, 2 ligands (CD, CL), 7 pockets (best druggability 0.44). MolNFT v1 #46631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OA9
Type: protein
Length: 471 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: R.MVAI
UniProt: Q8RNV5
Ligands: CD, CL
Pockets: 7 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	R.MVAI	protein	246	30% helix, 39% strand	Q8RNV5
B	R.MVAI	protein	225	31% helix, 39% strand	Q8RNV5

Ligands and binding sites

CD · Cadmium ion · metal · 15 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A
ACT · Acetate ion · additive · 2 copies · chains B

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

Pockets

7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	132	0.44	0.77	29	empty
2	110	0.43	0.77	26	empty
3	57	0.40	0.81	11	empty
4	59	0.36	0.78	11	empty
5	86	0.33	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 964 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

2OA9 · Restriction endonuclease MvaI in the absence of DNA · 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 Q8RNV5
Elsewhere: RCSB PDB 2OA9 · PDBe 2OA9 · UniProt Q8RNV5

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