MolNFT v1 · #157324 · protein

Reduced X-ray crystal structure of bacillus subtilis ribonucleotide reductase nrde alpha subunit with ttp, ATP, and ADP

6MVE · Ribonucleoside-diphosphate reductase: “Reduced X-ray crystal structure of bacillus subtilis ribonucleotide reductase nrde alpha subunit with ttp…”. X-ray diffraction, 4 ligands (TTP, ADP, ATP), 10 pockets (best druggability 0.59).…

PDB: 6MVE
Type: protein
Length: 680 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribonucleoside-diphosphate reductase
EC: 1.17.4.1
UniProt: A0A162Q3J9
Ligands: TTP, ADP, ATP, MG
Pockets: 10 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribonucleoside-diphosphate reductase (EC 1.17.4.1)	protein	680	47% helix, 12% strand	A0A162Q3J9

Ligands and binding sites

TTP · Thymidine-5'-triphosphate · ligand · chains A
ADP · Adenosine-5'-diphosphate · ligand · chains A
ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

10 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	321	0.59	0.77	40	empty
2	174	0.46	0.76	28	empty
3	123	0.44	0.77	24	empty
4	87	0.40	0.77	15	ATP
5	94	0.40	0.77	16	TTP

Compared structures

6MVE · Reduced X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha… · 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 A0A162Q3J9
Elsewhere: RCSB PDB 6MVE · PDBe 6MVE · UniProt A0A162Q3J9

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