MolNFT v1 · #90558 · protein
Crystal structure analysis of human serum albumin in complex with chloride anions at cryogenic temperature
4EMX: “Crystal structure analysis of human serum albumin in complex with chloride anions at cryogenic temperature”. X-ray diffraction, 1 ligand (CL), 17 pockets (best druggability 0.84). MolNFT v1 #90558 on GenesisL1: 3D structure, binding…
- PDB
- 4EMX
- Type
- protein
- Length
- 1,160 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- CL
- Pockets
- 17 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 581 | 73% helix, 0% strand | P02768 |
| B | Serum albumin | protein | 579 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- CL · Chloride ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.84 | 0.85 | 106 | CL |
| 2 | 733 | 0.83 | 0.87 | 96 | CL |
| 3 | 1001 | 0.74 | 0.77 | 86 | empty |
| 4 | 85 | 0.71 | 0.94 | 19 | empty |
| 5 | 89 | 0.69 | 0.92 | 21 | CL |
Interfaces
1 interface between chains.
- A–B · 699 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide (disulfide).
Compared structures
- 4EMX · Crystal structure analysis of Human Serum Albumin in complex with chloride anions at… · the same entry in another collection · chain A against A, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P02768
- Elsewhere: RCSB PDB 4EMX · PDBe 4EMX · UniProt P02768
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