Research workbench
Crystal structure of the E257A mutant of BLMAN5B in complex with glcnac (soaking)
Analyse Crystal structure of the E257A mutant of BLMAN5B in complex with glcnac… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MP7
- Type
- protein
- Length
- 847 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BLMAN5B
- UniProt
- B3DQP5
- Ligands
- NAG, NA
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BLMAN5B | protein | 426 | 42% helix, 15% strand | B3DQP5 |
| B | BLMAN5B | protein | 421 | 42% helix, 15% strand | B3DQP5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- NA · Sodium ion · metal · chains A
- FLC · Citrate anion · additive · chains A
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 | 185 | 0.82 | 0.97 | 31 | NAG |
| 2 | 188 | 0.82 | 0.96 | 43 | empty |
| 3 | 253 | 0.76 | 0.89 | 29 | NAG |
| 4 | 61 | 0.70 | 0.96 | 22 | empty |
| 5 | 93 | 0.41 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1811 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 6MP7 · Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (soaking) · 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 B3DQP5
- Elsewhere: RCSB PDB 6MP7 · PDBe 6MP7 · UniProt B3DQP5
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