MolNFT v1 · #161142 · protein
Structure of mpt-2, a GDP-man-dependent mannosyltransferase from leishmania mexicana, in complex with mannose
6Q4Y · Lmxm mpt-2: “Structure of mpt-2, a GDP-man-dependent mannosyltransferase from leishmania mexicana, in complex with mannose”. X-ray diffraction, 2 ligands (MAN, BMA), 8 pockets (best druggability 0.70). MolNFT v1 #161142 on…
- PDB
- 6Q4Y
- Type
- protein
- Length
- 611 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lmxm mpt-2
- UniProt
- E9AND8
- Ligands
- MAN, BMA
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lmxm mpt-2 | protein | 317 | 9% helix, 50% strand | E9AND8 |
| B | Lmxm mpt-2 | protein | 294 | 6% helix, 55% strand | E9AND8 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.70 | 0.89 | 33 | empty |
| 2 | 142 | 0.70 | 0.90 | 30 | empty |
| 3 | 300 | 0.60 | 0.78 | 34 | BMA, MAN |
| 4 | 255 | 0.56 | 0.77 | 32 | BMA |
| 5 | 50 | 0.48 | 0.87 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1351 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6Q4Y · Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in… · 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 E9AND8
- Elsewhere: RCSB PDB 6Q4Y · PDBe 6Q4Y · UniProt E9AND8
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