MolNFT v1 · #162620 · protein
Crystal structure of PIZZA6-S with CU2+
6REH: “Crystal structure of PIZZA6-S with CU2+”. X-ray diffraction, 2 ligands (CU, SO4), 1 pocket (best druggability 0.88). MolNFT v1 #162620 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6REH
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PIZZA6-S
- Ligands
- CU, SO4
- Pockets
- 1 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | PIZZA6-S | protein | 251 | 7% helix, 37% strand | — |
Ligands and binding sites
- CU · Copper (II) ion · metal · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.88 | 0.89 | 94 | empty |
Interfaces
1 interface between chains.
- A–B · 925 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6REH · Crystal structure of Pizza6-S with Cu2+ · 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 6REH · PDBe 6REH
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