MolNFT v1 · #173287 · protein
Inhibitory complex of human meprin beta with mouse fetuin-B.
7AUW · Meprin a subunit beta: “Inhibitory complex of human meprin beta with mouse fetuin-B.”. X-ray diffraction, 8 ligands (NAG, MAN, FUC), 20 pockets (best druggability 0.80). MolNFT v1 #173287 on GenesisL1: 3D structure, binding sites…
- PDB
- 7AUW
- Type
- protein
- Length
- 1,676 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Meprin a subunit beta; Fetuin-B
- EC
- 3.4.24.63
- UniProt
- Q16820, Q9QXC1
- Ligands
- NAG, MAN, FUC, BMA, GLC, NA, ZN, SO4
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Meprin a subunit beta (EC 3.4.24.63) | protein | 532 | 15% helix, 33% strand | Q16820 |
| B | Fetuin-B | protein | 314 | 16% helix, 37% strand | Q9QXC1 |
| D | Fetuin-B | protein | 298 | 17% helix, 35% strand | Q9QXC1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 33 copies · chains A, B, C, D
- MAN · alpha-D-mannopyranose · sugar · 26 copies · chains A, C
- FUC · alpha-L-fucopyranose · sugar · 20 copies · chains A, B, C, D
- BMA · beta-D-mannopyranose · sugar · 12 copies · chains A, C
- GLC · alpha-D-glucopyranose · sugar · 2 copies
- NA · Sodium ion · metal · 2 copies · chains A, C
- ZN · Zinc ion · metal · 2 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 447 | 0.80 | 0.88 | 38 | empty |
| 2 | 476 | 0.79 | 0.87 | 41 | empty |
| 3 | 753 | 0.79 | 0.83 | 100 | empty |
| 4 | 354 | 0.77 | 0.88 | 43 | SO4 |
| 5 | 406 | 0.75 | 0.85 | 49 | SO4 |
Interfaces
3 interfaces between chains.
- A–B · 1616 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 1583 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1369 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide, 18 glycan (disulfide, N-glycosylation).
Compared structures
- 7AUW · Inhibitory complex of human meprin beta with mouse fetuin-B. · the same entry in another collection · chain A against A, TM-score 1.00
- Q16820 · AlphaFold monomer V2.0 prediction for meprin a subunit beta (Q16820) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9QXC1 · AlphaFold monomer V2.0 prediction for fetuin-B (Q9QXC1) · a predicted model of the same protein · chain D against A, TM-score 0.94
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 Q16820
- Every structure of UniProt Q9QXC1
- Elsewhere: RCSB PDB 7AUW · PDBe 7AUW · UniProt Q16820 · UniProt Q9QXC1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.