MolNFT v1 · #145731 · protein
X-ray crystal structure of flavobacterium johnsoniae DIMANGANESE(II) ribonucleotide reductase beta subunit (as-isolated)
6CWQ: “X-ray crystal structure of flavobacterium johnsoniae DIMANGANESE(II) ribonucleotide reductase beta subunit…”. X-ray diffraction, 2 ligands (MN, MG), 5 pockets (best druggability 0.65). MolNFT v1 #145731 on GenesisL1: 3D structure…
- PDB
- 6CWQ
- Type
- protein
- Length
- 610 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribonucleotide reductase
- UniProt
- A5FCJ5
- Ligands
- MN, MG
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribonucleotide reductase | protein | 308 | 70% helix, 0% strand | A5FCJ5 |
| B | Ribonucleotide reductase | protein | 302 | 75% helix, 0% strand | A5FCJ5 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 458 | 0.65 | 0.78 | 44 | empty |
| 2 | 420 | 0.62 | 0.77 | 48 | empty |
| 3 | 74 | 0.52 | 0.86 | 20 | empty |
| 4 | 142 | 0.42 | 0.75 | 21 | empty |
| 5 | 90 | 0.39 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1249 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6CWQ · X-ray crystal structure of Flavobacterium johnsoniae dimanganese(II) ribonucleotide… · 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 A5FCJ5
- Elsewhere: RCSB PDB 6CWQ · PDBe 6CWQ · UniProt A5FCJ5
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