MolNFT v1 · #156732 · protein
Crystal structure of equine serum albumin in complex with testosterone
6MDQ: “Crystal structure of equine serum albumin in complex with testosterone”. X-ray diffraction, 1 ligand (TES), 7 pockets (best druggability 0.79). MolNFT v1 #156732 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MDQ
- Type
- protein
- Length
- 580 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P35747
- Ligands
- TES
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 580 | 73% helix, 0% strand | P35747 |
Ligands and binding sites
- TES · Testosterone · ligand · 2 copies · chains A
- FLC · Citrate anion · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.79 | 0.86 | 62 | FLC |
| 2 | 804 | 0.76 | 0.80 | 62 | FLC |
| 3 | 212 | 0.65 | 0.83 | 42 | empty |
| 4 | 60 | 0.60 | 0.91 | 20 | empty |
| 5 | 320 | 0.59 | 0.77 | 27 | TES |
Modifications
Observed in the structure: 17 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 P35747
- Elsewhere: RCSB PDB 6MDQ · PDBe 6MDQ · UniProt P35747
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