MolNFT v1 · #36680 · protein
Structure of human urokinase plasminogen activator in complex with urokinase receptor and an anti-upar antibody at 1.9 a
2FD6 · Urokinase-type plasminogen activator: “Structure of human urokinase plasminogen activator in complex with urokinase receptor and an anti-upar…”. X-ray diffraction, 5 ligands (ETX, NAG, FUC), 8 pockets (best druggability 0.61).…
- PDB
- 2FD6
- Type
- protein
- Length
- 797 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urokinase-type plasminogen activator; L chain of Fab of atn-615 anti-upar antibody; H…
- EC
- 3.4.21.73
- UniProt
- P00749, Q52L64, Q4V9V8, Q03405
- Ligands
- ETX, NAG, FUC, NDG, SO4
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Urokinase-type plasminogen activator (EC 3.4.21.73) | protein | 122 | 6% helix, 26% strand | P00749 |
| L | L chain of Fab of atn-615 anti-upar antibody | protein | 214 | 6% helix, 50% strand | Q52L64 |
| H | H chain of Fab of atn-615 anti-upar antibody | protein | 212 | 8% helix, 50% strand | Q4V9V8 |
| U | Urokinase plasminogen activator surface receptor | protein | 249 | 4% helix, 51% strand | Q03405 |
Ligands and binding sites
- ETX · 2-ethoxyethanol · ligand · 3 copies · chains L, U, H
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains U
- FUC · alpha-L-fucopyranose · sugar
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains U
- SO4 · Sulfate ion · ion · chains A, U
- EDO · 1,2-ethanediol · additive · 2 copies · chains L, H
- PGE · Triethylene glycol · additive · chains H, U
- PG4 · Tetraethylene glycol · additive · chains H, U
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.61 | 0.78 | 45 | SO4 |
| 2 | 393 | 0.60 | 0.76 | 40 | PGE, PG4 |
| 3 | 248 | 0.50 | 0.74 | 41 | empty |
| 4 | 136 | 0.45 | 0.77 | 23 | empty |
| 5 | 129 | 0.42 | 0.76 | 23 | empty |
Interfaces
4 interfaces between chains.
- L–H · 1770 Ų buried · 20 hydrogen bonds · protein-protein
- A–U · 1125 Ų buried · 11 hydrogen bonds · protein-protein
- H–U · 433 Ų buried · 13 hydrogen bonds · protein-protein
- L–U · 261 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 2FD6 · Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q03405 · AlphaFold monomer V2.0 prediction for urokinase plasminogen activator surface receptor… · a predicted model of the same protein · chain U 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 P00749
- Every structure of UniProt Q52L64
- Every structure of UniProt Q4V9V8
- Every structure of UniProt Q03405
- Elsewhere: RCSB PDB 2FD6 · PDBe 2FD6 · UniProt P00749 · UniProt Q52L64 · UniProt Q4V9V8 · UniProt Q03405
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