MolNFT v1 · #58319 · protein
X-ray crystal structure of the two site-specific mutants HIS35GLN and HIS35LEU of azurin from pseudomonas aeruginosa
3AZU: “X-ray crystal structure of the two site-specific mutants HIS35GLN and HIS35LEU of azurin from pseudomonas…”. X-ray diffraction, 1 ligand (CU), 4 pockets (best druggability 0.75). MolNFT v1 #58319 on GenesisL1: 3D structure, binding…
- PDB
- 3AZU
- Type
- protein
- Length
- 512 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Azurin
- UniProt
- P00282
- Ligands
- CU
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Azurin | protein | 128 | 18% helix, 34% strand | P00282 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.75 | 0.87 | 29 | empty |
| 2 | 236 | 0.68 | 0.85 | 32 | empty |
| 3 | 240 | 0.63 | 0.82 | 46 | empty |
| 4 | 222 | 0.61 | 0.82 | 35 | empty |
Interfaces
6 interfaces between chains.
- B–D · 506 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 488 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 420 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 400 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 356 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3AZU · X-ray crystal structure of the two site-specific mutants HIS35GLN and HIS35LEU of azurin… · the same entry in another collection · chain D against D, TM-score 1.00
- P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain C 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 P00282
- Elsewhere: RCSB PDB 3AZU · PDBe 3AZU · UniProt P00282
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