MolNFT v1 · #159797 · protein
Cu-bound PMOF1 pcuac domain (dimer)
6P1E: “Cu-bound PMOF1 pcuac domain (dimer)”. X-ray diffraction, 2 ligands (CU, SCN), 2 pockets (best druggability 0.37). MolNFT v1 #159797 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6P1E
- Type
- protein
- Length
- 241 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PMOF1
- Ligands
- CU, SCN
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PMOF1 | protein | 120 | 0% helix, 58% strand | — |
| B | PMOF1 | protein | 121 | 0% helix, 58% strand | — |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- SCN · Thiocyanate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.37 | 0.77 | 19 | empty |
| 2 | 81 | 0.34 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 710 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6P1E · Cu-bound PmoF1 PCuAC domain (dimer) · 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
- Elsewhere: RCSB PDB 6P1E · PDBe 6P1E
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