MolNFT v1 · #105594 · protein
CPMNBP1 with mannobiose bound
4R9F · MBP1: “CPMNBP1 with mannobiose bound”. X-ray diffraction, 1 ligand (BMA), 3 pockets (best druggability 0.74). MolNFT v1 #105594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R9F
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MBP1
- UniProt
- L0E2M2
- Ligands
- BMA
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MBP1 | protein | 402 | 44% helix, 19% strand | L0E2M2 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.74 | 0.82 | 55 | BMA |
| 2 | 117 | 0.46 | 0.79 | 25 | empty |
| 3 | 57 | 0.33 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4R9F · CpMnBP1 with Mannobiose Bound · 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 L0E2M2
- Elsewhere: RCSB PDB 4R9F · PDBe 4R9F · UniProt L0E2M2
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