MolNFT v1 · #157189 · protein
Crystal structure of the competence-damaged protein (cina) superfamily protein from streptococcus mutans
6MR3 · Putative competence-damage inducible protein: “Crystal structure of the competence-damaged protein (cina) superfamily protein from streptococcus mutans”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.37). MolNFT…
- PDB
- 6MR3
- Type
- protein
- Length
- 728 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative competence-damage inducible protein
- UniProt
- Q8DRX2
- Ligands
- CL
- Pockets
- 9 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative competence-damage inducible protein | protein | 245 | 42% helix, 25% strand | Q8DRX2 |
| C | Putative competence-damage inducible protein | protein | 238 | 40% helix, 26% strand | Q8DRX2 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.37 | 0.74 | 21 | empty |
| 2 | 90 | 0.35 | 0.75 | 22 | empty |
| 3 | 70 | 0.33 | 0.75 | 18 | empty |
| 4 | 61 | 0.31 | 0.75 | 16 | empty |
| 5 | 58 | 0.31 | 0.76 | 17 | CL |
Interfaces
1 interface between chains.
- A–B · 297 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 6MR3 · Crystal structure of the competence-damaged protein (CinA) superfamily protein from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8DRX2 · AlphaFold monomer V2.0 prediction for putative competence-damage inducible protein… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q8DRX2
- Elsewhere: RCSB PDB 6MR3 · PDBe 6MR3 · UniProt Q8DRX2
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