MolNFT v1 · #143817 · protein
Mus musculus BPIFA1
6BAQ · Bpi fold-containing family a member 1: “Mus musculus BPIFA1”. X-ray diffraction, 2 ligands (NA, CL), 18 pockets (best druggability 0.66). MolNFT v1 #143817 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BAQ
- Type
- protein
- Length
- 1,558 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bpi fold-containing family a member 1
- UniProt
- P97361
- Ligands
- NA, CL
- Pockets
- 18 · best druggability 0.66
Structure
x-ray diffraction · 8 distinct chains · 40% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bpi fold-containing family a member 1 | protein | 196 | 40% helix, 31% strand | P97361 |
| B | Bpi fold-containing family a member 1 | protein | 192 | 40% helix, 31% strand | P97361 |
| C | Bpi fold-containing family a member 1 | protein | 187 | 38% helix, 30% strand | P97361 |
| D | Bpi fold-containing family a member 1 | protein | 190 | 39% helix, 32% strand | P97361 |
| E | Bpi fold-containing family a member 1 | protein | 196 | 38% helix, 32% strand | P97361 |
| F | Bpi fold-containing family a member 1 | protein | 211 | 42% helix, 28% strand | P97361 |
| G | Bpi fold-containing family a member 1 | protein | 195 | 36% helix, 32% strand | P97361 |
| H | Bpi fold-containing family a member 1 | protein | 191 | 42% helix, 31% strand | P97361 |
Ligands and binding sites
- NA · Sodium ion · metal · 63 copies · chains A, B, E, F, C, G, D, H
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 4 copies · chains C, G, H, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 510 | 0.66 | 0.77 | 47 | NA |
| 2 | 409 | 0.64 | 0.78 | 37 | empty |
| 3 | 188 | 0.62 | 0.83 | 38 | empty |
| 4 | 406 | 0.62 | 0.77 | 50 | NA |
| 5 | 304 | 0.55 | 0.76 | 37 | empty |
Interfaces
13 interfaces between chains.
- E–H · 757 Ų buried · 7 hydrogen bonds · protein-protein
- C–G · 737 Ų buried · 6 hydrogen bonds · protein-protein
- D–F · 689 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 688 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 659 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
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 P97361
- Elsewhere: RCSB PDB 6BAQ · PDBe 6BAQ · UniProt P97361
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