MolNFT v1 · #7990 · protein
Human serum albumin complexed with cis-5,8,11,14-eicosatetraenoic acid (arachidonic acid)
1GNJ: “Human serum albumin complexed with cis-5,8,11,14-eicosatetraenoic acid (arachidonic acid)”. X-ray diffraction, 1 ligand (ACD), 9 pockets (best druggability 0.87). MolNFT v1 #7990 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1GNJ
- 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
- ACD
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 582 | 73% helix, 0% strand | P02768 |
Ligands and binding sites
- ACD · Arachidonic acid · ligand · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 771 | 0.87 | 0.90 | 70 | ACD |
| 2 | 427 | 0.83 | 0.90 | 42 | ACD |
| 3 | 387 | 0.81 | 0.89 | 45 | ACD |
| 4 | 314 | 0.74 | 0.85 | 25 | ACD |
| 5 | 315 | 0.71 | 0.83 | 40 | ACD |
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 1GNJ · HUMAN SERUM ALBUMIN COMPLEXED WITH cis-5,8,11,14-EICOSATETRAENOIC ACID (ARACHIDONIC ACID) · 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 0.84
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 1GNJ · PDBe 1GNJ · UniProt P02768
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