MolNFT v1 · #75764 · protein
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
3Q03 · Plasminogen activator inhibitor 1: “Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.”. X-ray diffraction, 2 ligands (ZN, CL), 9 pockets (best druggability 0.59). MolNFT v1 #75764 on…
- PDB
- 3Q03
- Type
- protein
- Length
- 724 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasminogen activator inhibitor 1
- UniProt
- P05121
- Ligands
- ZN, CL
- Pockets
- 9 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plasminogen activator inhibitor 1 | protein | 360 | 30% helix, 32% strand | P05121 |
| B | Plasminogen activator inhibitor 1 | protein | 364 | 29% helix, 32% strand | P05121 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.59 | 0.84 | 31 | empty |
| 2 | 171 | 0.59 | 0.82 | 33 | ZN |
| 3 | 120 | 0.53 | 0.82 | 25 | empty |
| 4 | 144 | 0.52 | 0.80 | 23 | empty |
| 5 | 80 | 0.46 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 908 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3Q03 · Crystal structure of plasminogen activator inhibitor-1 in a metastable active… · the same entry in another collection · chain A against A, TM-score 1.00
- P05121 · AlphaFold monomer V2.0 prediction for plasminogen activator inhibitor 1 (P05121) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P05121
- Elsewhere: RCSB PDB 3Q03 · PDBe 3Q03 · UniProt P05121
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