MolNFT v1 · #172405 · protein
Crystal structure of the BILBO2/FPC4 complex
7A1I · BILBO1_N domain-containing protein: “Crystal structure of the BILBO2/FPC4 complex”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.45). MolNFT v1 #172405 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7A1I
- Type
- protein
- Length
- 225 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BILBO1_N domain-containing protein; FPC4
- UniProt
- A0A3L6L5Q1, A0A3L6LBE5
- Ligands
- NA
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BILBO1_N domain-containing protein | protein | 107 | 23% helix, 35% strand | A0A3L6L5Q1 |
| B, D | FPC4 | protein | 7 | 0% helix, 14% strand | A0A3L6LBE5 |
| C | BILBO1_N domain-containing protein | protein | 104 | 25% helix, 33% strand | A0A3L6L5Q1 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, C
- EDO · 1,2-ethanediol · additive · chains A
- HEZ · Hexane-1,6-diol · additive · chains A
- GOL · Glycerol · additive · chains C, D
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.45 | 0.80 | 21 | NA |
| 2 | 87 | 0.36 | 0.76 | 17 | NA |
| 3 | 72 | 0.30 | 0.74 | 20 | NA |
Interfaces
4 interfaces between chains.
- C–D · 430 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 422 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 235 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 69 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7A1I · Crystal structure of the BILBO2/FPC4 complex · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A3L6L5Q1
- Every structure of UniProt A0A3L6LBE5
- Elsewhere: RCSB PDB 7A1I · PDBe 7A1I · UniProt A0A3L6L5Q1 · UniProt A0A3L6LBE5
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