MolNFT v1 · #152156 · protein

R2-like ligand-binding oxidase G68L mutant with non-activated MN/MN cofactor (after aerobic reconstitution with mn and fe)

6I94 · Ribonucleotide reductase small subunit: “R2-like ligand-binding oxidase G68L mutant with non-activated MN/MN cofactor (after aerobic reconstitution…”. X-ray diffraction, 2 ligands (OCA, MN), 2 pockets (best druggability 0.76).…

PDB: 6I94
Type: protein
Length: 274 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribonucleotide reductase small subunit
EC: 1.17.4.1
UniProt: Q5KW80
Ligands: OCA, MN
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribonucleotide reductase small subunit (EC 1.17.4.1)	protein	274	81% helix, 0% strand	Q5KW80

Ligands and binding sites

OCA · Octanoic acid (caprylic acid) · ligand · chains A
MN · Manganese (II) ion · metal · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	240	0.76	0.89	39	OCA
2	77	0.32	0.74	19	empty

Compared structures

6I94 · R2-like ligand-binding oxidase G68L mutant with non-activated Mn/Mn cofactor (after… · 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 Q5KW80
Elsewhere: RCSB PDB 6I94 · PDBe 6I94 · UniProt Q5KW80

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