MolNFT v1 · #100150 · protein
Crystal structure of a putative glucose 1-dehydrogenase from burkholderia cenocepacia J2315
4MOW: “Crystal structure of a putative glucose 1-dehydrogenase from burkholderia cenocepacia J2315”. X-ray diffraction, 1 ligand (NA), 10 pockets (best druggability 0.80). MolNFT v1 #100150 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4MOW
- Type
- protein
- Length
- 970 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose 1-dehydrogenase
- EC
- 1.1.1.47
- UniProt
- B4E6Z1
- Ligands
- NA
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose 1-dehydrogenase (EC 1.1.1.47) | protein | 248 | 49% helix, 16% strand | B4E6Z1 |
| B | Glucose 1-dehydrogenase (EC 1.1.1.47) | protein | 245 | 49% helix, 15% strand | B4E6Z1 |
| C | Glucose 1-dehydrogenase (EC 1.1.1.47) | protein | 237 | 49% helix, 16% strand | B4E6Z1 |
| D | Glucose 1-dehydrogenase (EC 1.1.1.47) | protein | 240 | 50% helix, 15% strand | B4E6Z1 |
Ligands and binding sites
- NA · Sodium ion · metal · 8 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 887 | 0.80 | 0.83 | 61 | empty |
| 2 | 1129 | 0.75 | 0.77 | 110 | NA |
| 3 | 239 | 0.66 | 0.83 | 42 | NA |
| 4 | 157 | 0.58 | 0.82 | 33 | empty |
| 5 | 146 | 0.45 | 0.77 | 29 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1565 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1549 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1524 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1513 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 56 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4MOW · Crystal structure of a putative glucose 1-dehydrogenase from Burkholderia cenocepacia… · 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 B4E6Z1
- Elsewhere: RCSB PDB 4MOW · PDBe 4MOW · UniProt B4E6Z1
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