MolNFT v1 · #142575 · protein
The crystal structure of mupain-1-ig-2 in complex with mupa-spd at PH8.5
6A8N · Urokinase-type plasminogen activator B: “The crystal structure of mupain-1-ig-2 in complex with mupa-spd at PH8.5”. X-ray diffraction, 4 pockets (best druggability 0.49). MolNFT v1 #142575 on GenesisL1: 3D structure, binding sites…
- PDB
- 6A8N
- Type
- protein
- Length
- 510 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Urokinase-type plasminogen activator B; Cys-pro-ala-tyr-ser-arg-tyr-ile-gly-cys
- EC
- 3.4.21.73
- UniProt
- P06869
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Urokinase-type plasminogen activator B (EC 3.4.21.73) | protein | 245 | 11% helix, 38% strand | P06869 |
| P, C | Cys-pro-ala-tyr-ser-arg-tyr-ile-gly-cys | protein | 10 | 0% helix, 10% strand | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.49 | 0.83 | 24 | empty |
| 2 | 136 | 0.45 | 0.77 | 24 | empty |
| 3 | 135 | 0.44 | 0.76 | 23 | empty |
| 4 | 55 | 0.30 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 833 Ų buried · 11 hydrogen bonds · protein-protein
- A–P · 823 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 812 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 6A8N · The crystal structure of muPAin-1-IG-2 in complex with muPA-SPD at pH8.5 · the same entry in another collection · chain A against A, TM-score 1.00
- P06869 · AlphaFold monomer V2.0 prediction for urokinase-type plasminogen activator (P06869) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P06869
- Elsewhere: RCSB PDB 6A8N · PDBe 6A8N · UniProt P06869
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