MolNFT v1 · #87304 · protein
Three-dimensional structure of the K109A mutant of paracoccus pantotrophus pseudoazurin at pH 5.5
4BWU: “Three-dimensional structure of the K109A mutant of paracoccus pantotrophus pseudoazurin at pH 5.5”. X-ray diffraction, 2 ligands (CU, SO4), 1 pocket (best druggability 0.74). MolNFT v1 #87304 on GenesisL1: 3D structure, binding…
- PDB
- 4BWU
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pseudoazurin
- UniProt
- P80401
- Ligands
- CU, SO4
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pseudoazurin | protein | 123 | 19% helix, 37% strand | P80401 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
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 | 404 | 0.74 | 0.84 | 51 | empty |
Interfaces
1 interface between chains.
- A–B · 469 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4BWU · Three-dimensional structure of the K109A mutant of Paracoccus pantotrophus pseudoazurin… · the same entry in another collection · chain A against A, TM-score 1.00
- P80401 · AlphaFold monomer V2.0 prediction for pseudoazurin (P80401) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P80401
- Elsewhere: RCSB PDB 4BWU · PDBe 4BWU · UniProt P80401
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