MolNFT v1 · #100439 · protein
Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from parabacteroides merdae atcc 43184 at 1.95 a resolution
4MXN · Uncharacterized protein: “Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from parabacteroides merdae atcc 43184 at…”. X-ray diffraction, 8 pockets (best druggability 0.84). MolNFT v1 #100439 on GenesisL1: 3D…
- PDB
- 4MXN
- Type
- protein
- Length
- 898 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A7AB45
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 16% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 225 | 17% helix, 43% strand | A7AB45 |
| B | Uncharacterized protein | protein | 226 | 16% helix, 42% strand | A7AB45 |
| C | Uncharacterized protein | protein | 223 | 17% helix, 41% strand | A7AB45 |
| D | Uncharacterized protein | protein | 224 | 16% helix, 42% strand | A7AB45 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.84 | 0.86 | 106 | empty |
| 2 | 661 | 0.66 | 0.75 | 61 | empty |
| 3 | 62 | 0.52 | 0.87 | 23 | empty |
| 4 | 119 | 0.43 | 0.77 | 25 | empty |
| 5 | 96 | 0.41 | 0.78 | 18 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1008 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 378 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 370 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 242 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 35 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified, 1 disulfide (engineered, disulfide).
Compared structures
- 4MXN · Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from Parabacteroides… · 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 A7AB45
- Elsewhere: RCSB PDB 4MXN · PDBe 4MXN · UniProt A7AB45
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