MolNFT v1 · #39548 · protein
Crystal structure of CU(I) azurin with the metal-binding loop sequence "ctfpghsalm" replaced with "csphqgagm", at PH3.5
2HXA: “Crystal structure of CU(I) azurin with the metal-binding loop sequence "ctfpghsalm" replaced with…”. X-ray diffraction, 1 ligand (CU1), 1 pocket (best druggability 0.44). MolNFT v1 #39548 on GenesisL1: 3D structure, binding sites…
- PDB
- 2HXA
- Type
- protein
- Length
- 252 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Azurin
- UniProt
- P00282
- Ligands
- CU1
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Azurin | protein | 125 | 22% helix, 34% strand | P00282 |
| B | Azurin | protein | 127 | 19% helix, 35% strand | P00282 |
Ligands and binding sites
- CU1 · Copper (I) ion · metal · 2 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.44 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 419 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2HXA · Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM"… · the same entry in another collection · chain A against A, TM-score 1.00
- P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 2HXA · PDBe 2HXA · UniProt P00282
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