MolNFT v1 · #58638 · protein
Human serum albumin complexed with myristate, 3'-azido-3'- deoxythymidine (azt) and salicylic acid
3B9M: “Human serum albumin complexed with myristate, 3'-azido-3'- deoxythymidine (azt) and salicylic acid”. X-ray diffraction, 3 ligands (MYR, SAL, AZZ), 7 pockets (best druggability 0.88). MolNFT v1 #58638 on GenesisL1: 3D structure…
- PDB
- 3B9M
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin
- UniProt
- P02768
- Ligands
- MYR, SAL, AZZ
- Pockets
- 7 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 71% helix, 0% strand | P02768 |
Ligands and binding sites
- MYR · Myristic acid · ligand · 6 copies · chains A
- SAL · 2-hydroxybenzoic acid · ligand · 2 copies · chains A
- AZZ · 3'-azido-3'-deoxythymidine · ligand · 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 | 722 | 0.88 | 0.91 | 69 | MYR, AZZ, SAL |
| 2 | 654 | 0.87 | 0.92 | 80 | MYR |
| 3 | 310 | 0.73 | 0.85 | 28 | MYR, SAL |
| 4 | 268 | 0.70 | 0.84 | 31 | MYR |
| 5 | 272 | 0.61 | 0.80 | 29 | empty |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 3B9M · Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and… · 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 A against A, TM-score 0.85
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 3B9M · PDBe 3B9M · UniProt P02768
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