MolNFT v1 · #86925 · protein
Crystal structure of a human suppressor of fused (sufu)-GLI3P complex
4BLD · Maltose-binding periplasmic protein, suppressor of fused…: “Crystal structure of a human suppressor of fused (sufu)-GLI3P complex”. X-ray diffraction, 2 ligands (GLC, ZN), 20 pockets (best druggability 0.83). MolNFT v1 #86925 on…
- PDB
- 4BLD
- Type
- protein
- Length
- 2,938 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic protein, suppressor of fused homolog; Transcriptional…
- UniProt
- P0AEX9, Q9UMX1, P10071
- Ligands
- GLC, ZN
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic protein, suppressor of fused homolog | protein | 734 | 37% helix, 24% strand | P0AEX9, Q9UMX1 |
| B | Maltose-binding periplasmic protein, suppressor of fused homolog | protein | 717 | 37% helix, 23% strand | P0AEX9, Q9UMX1 |
| C | Maltose-binding periplasmic protein, suppressor of fused homolog | protein | 725 | 37% helix, 25% strand | P0AEX9, Q9UMX1 |
| D | Maltose-binding periplasmic protein, suppressor of fused homolog | protein | 730 | 37% helix, 24% strand | P0AEX9, Q9UMX1 |
| E, F, G, H | Transcriptional activator GLI3 | protein | 8 | 0% helix, 50% strand | P10071 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 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, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.83 | 0.84 | 105 | GLC |
| 2 | 510 | 0.82 | 0.88 | 60 | GLC |
| 3 | 880 | 0.81 | 0.83 | 107 | GLC |
| 4 | 1067 | 0.80 | 0.81 | 130 | GLC |
| 5 | 323 | 0.67 | 0.82 | 44 | empty |
Interfaces
8 interfaces between chains.
- A–D · 776 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 759 Ų buried · 10 hydrogen bonds · protein-protein
- C–G · 731 Ų buried · 19 hydrogen bonds · protein-protein
- D–H · 730 Ų buried · 19 hydrogen bonds · protein-protein
- A–E · 722 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4BLD · Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex · the same entry in another collection · chain G against G, TM-score 1.00
- P10071 · AlphaFold monomer V2.0 prediction for transcriptional activator GLI3 (P10071) · a predicted model of the same protein · chain E against A, TM-score 0.49
- Q9UMX1 · AlphaFold monomer V2.0 prediction for suppressor of fused homolog (Q9UMX1) · a predicted model of the same protein · chain D against A, TM-score 0.41
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 P0AEX9
- Every structure of UniProt Q9UMX1
- Every structure of UniProt P10071
- Elsewhere: RCSB PDB 4BLD · PDBe 4BLD · UniProt P0AEX9 · UniProt Q9UMX1 · UniProt P10071
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