MolNFT v1 · #162810 · protein
The X-ray structure of the GOLD/SERUM albumin adduct obtained upon reaction of the protein with AUL12, a GOLD(III) dithiocarbamate complex
6RJV: “The X-ray structure of the GOLD/SERUM albumin adduct obtained upon reaction of the protein with AUL12, a…”. X-ray diffraction, 2 ligands (MG, AU), 19 pockets (best druggability 0.79). MolNFT v1 #162810 on GenesisL1: 3D structure…
- PDB
- 6RJV
- Type
- protein
- Length
- 1,162 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02769
- Ligands
- MG, AU
- Pockets
- 19 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 581 | 74% helix, 0% strand | P02769 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 380 | 0.79 | 0.88 | 45 | empty |
| 2 | 622 | 0.79 | 0.84 | 56 | empty |
| 3 | 1054 | 0.78 | 0.79 | 84 | empty |
| 4 | 458 | 0.75 | 0.83 | 46 | empty |
| 5 | 198 | 0.71 | 0.88 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 448 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide (disulfide).
Compared structures
- 6RJV · The X-ray structure of the Gold/Serum Albumin adduct obtained upon reaction of the… · the same entry in another collection · chain A against A, TM-score 1.00
- P02769 · AlphaFold monomer V2.0 prediction for albumin (P02769) · 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 P02769
- Elsewhere: RCSB PDB 6RJV · PDBe 6RJV · UniProt P02769
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