MolNFT v1 · #156468 · protein
Crystal structure of a complex between human serum albumin and the antibody Fab SL335
6M58: “Crystal structure of a complex between human serum albumin and the antibody Fab SL335”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #156468 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6M58
- Type
- protein
- Length
- 1,956 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin; Heavy chain of the SL335 antibody Fab; Light chain of the SL335 antibody…
- UniProt
- P02768
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 561 | 74% helix, 0% strand | P02768 |
| H | Heavy chain of the SL335 antibody Fab | protein | 212 | 6% helix, 53% strand | — |
| L, D | Light chain of the SL335 antibody Fab | protein | 211 | 7% helix, 50% strand | — |
| B | Serum albumin | protein | 550 | 73% helix, 0% strand | P02768 |
| C | Heavy chain of the SL335 antibody Fab | protein | 211 | 7% helix, 53% strand | — |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.84 | 0.88 | 66 | empty |
| 2 | 1189 | 0.84 | 0.84 | 118 | empty |
| 3 | 1112 | 0.82 | 0.84 | 139 | empty |
| 4 | 92 | 0.77 | 0.98 | 24 | empty |
| 5 | 94 | 0.76 | 0.98 | 26 | empty |
Interfaces
10 interfaces between chains.
- C–D · 1629 Ų buried · 16 hydrogen bonds · protein-protein
- H–L · 1596 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 823 Ų buried · 9 hydrogen bonds · protein-protein
- A–H · 780 Ų buried · 9 hydrogen bonds · protein-protein
- L–B · 580 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide (disulfide).
Compared structures
- 6M58 · Crystal structure of a complex between human serum albumin and the antibody Fab SL335 · the same entry in another collection · chain D against D, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A 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 6M58 · PDBe 6M58 · UniProt P02768
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