MolNFT v1 · #171923 · protein
Crystal structure of human serum albumin in complex with the mcl-1 neutralizing alphabody cmpx-383B
6ZL1: “Crystal structure of human serum albumin in complex with the mcl-1 neutralizing alphabody cmpx-383B”. X-ray diffraction, 12 pockets (best druggability 0.87). MolNFT v1 #171923 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6ZL1
- Type
- protein
- Length
- 1,339 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Albumin; Cmpx-383B
- UniProt
- P02768
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Albumin | protein | 555 | 72% helix, 0% strand | P02768 |
| B | Albumin | protein | 542 | 72% helix, 0% strand | P02768 |
| C | Cmpx-383B | protein | 122 | 80% helix, 0% strand | — |
| D | Cmpx-383B | protein | 120 | 84% helix, 0% strand | — |
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.87 | 0.88 | 125 | empty |
| 2 | 1172 | 0.87 | 0.88 | 125 | empty |
| 3 | 290 | 0.79 | 0.90 | 60 | empty |
| 4 | 306 | 0.79 | 0.89 | 63 | empty |
| 5 | 685 | 0.69 | 0.77 | 69 | empty |
Interfaces
3 interfaces between chains.
- B–D · 865 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 836 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 70 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 disulfide (disulfide).
Compared structures
- 6ZL1 · Crystal structure of human serum albumin in complex with the MCL-1 neutralizing Alphabody… · 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 0.96
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 6ZL1 · PDBe 6ZL1 · UniProt P02768
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