MolNFT v1 · #104260 · protein
2.60 ångström resolution crystal structure of a conserved uncharacterized protein from chitinophaga pinensis dsm 2588
4Q52: “2.60 ångström resolution crystal structure of a conserved uncharacterized protein from chitinophaga pinensis…”. X-ray diffraction, 1 ligand (BGC), 13 pockets (best druggability 0.74). MolNFT v1 #104260 on GenesisL1: 3D structure…
- PDB
- 4Q52
- Type
- protein
- Length
- 687 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- C7PQX8
- Ligands
- BGC
- Pockets
- 13 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Uncharacterized protein | protein | 175 | 6% helix, 51% strand | C7PQX8 |
| B | Uncharacterized protein | protein | 172 | 6% helix, 53% strand | C7PQX8 |
| D | Uncharacterized protein | protein | 165 | 4% helix, 54% strand | C7PQX8 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.74 | 0.87 | 33 | empty |
| 2 | 296 | 0.72 | 0.86 | 33 | empty |
| 3 | 441 | 0.58 | 0.74 | 53 | empty |
| 4 | 149 | 0.44 | 0.75 | 25 | empty |
| 5 | 67 | 0.44 | 0.82 | 17 | BGC |
Interfaces
4 interfaces between chains.
- B–C · 2143 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 2019 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 166 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 110 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4Q52 · 2.60 Angstrom resolution crystal structure of a conserved uncharacterized protein from… · 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 C7PQX8
- Elsewhere: RCSB PDB 4Q52 · PDBe 4Q52 · UniProt C7PQX8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.