MolNFT v1 · #182305 · protein
Cutn from type I cut mcp
7MMX · Propanediol utilization protein pdua: “Cutn from type I cut mcp”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.57). MolNFT v1 #182305 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MMX
- Type
- protein
- Length
- 522 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Propanediol utilization protein pdua
- UniProt
- A0A0E2J8H5
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Propanediol utilization protein pdua | protein | 86 | 44% helix, 36% strand | A0A0E2J8H5 |
| B | Propanediol utilization protein pdua | protein | 88 | 43% helix, 35% strand | A0A0E2J8H5 |
| C | Propanediol utilization protein pdua | protein | 90 | 42% helix, 37% strand | A0A0E2J8H5 |
| E | Propanediol utilization protein pdua | protein | 87 | 44% helix, 36% strand | A0A0E2J8H5 |
| F | Propanediol utilization protein pdua | protein | 85 | 45% helix, 39% strand | A0A0E2J8H5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 340 | 0.57 | 0.75 | 39 | empty |
| 2 | 121 | 0.38 | 0.74 | 16 | empty |
Interfaces
6 interfaces between chains.
- B–C · 877 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 877 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 875 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 868 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 206 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7MMX · CutN from Type I Cut MCP · 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 A0A0E2J8H5
- Elsewhere: RCSB PDB 7MMX · PDBe 7MMX · UniProt A0A0E2J8H5
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