MolNFT v1 · #32669 · protein
Human serum albumin complexed with warfarin
2BXD: “Human serum albumin complexed with warfarin”. X-ray diffraction, 1 ligand (RWF), 18 pockets (best druggability 0.82). MolNFT v1 #32669 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BXD
- Type
- protein
- Length
- 1,156 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- RWF
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serum albumin | protein | 578 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- RWF · R-warfarin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.82 | 0.86 | 76 | RWF |
| 2 | 1133 | 0.82 | 0.83 | 107 | RWF |
| 3 | 416 | 0.73 | 0.83 | 39 | empty |
| 4 | 604 | 0.71 | 0.79 | 52 | empty |
| 5 | 387 | 0.71 | 0.82 | 53 | empty |
Modifications
Observed in the structure: 34 disulfide (disulfide).
Compared structures
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 2BXD · PDBe 2BXD · UniProt P02768
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