MolNFT v1 · #161581 · protein
The crystal structure of trichuris muris P43
6QIX: “The crystal structure of trichuris muris P43”. X-ray diffraction, 2 ligands (NAG, CA), 9 pockets (best druggability 0.88). MolNFT v1 #161581 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QIX
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P43
- UniProt
- A0A0N5DW69
- Ligands
- NAG, CA
- Pockets
- 9 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P43 | protein | 347 | 23% helix, 23% strand | A0A0N5DW69 |
| B | P43 | protein | 347 | 22% helix, 23% strand | A0A0N5DW69 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- P6G · Hexaethylene glycol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.88 | 0.89 | 103 | ACT, PEG |
| 2 | 1024 | 0.87 | 0.88 | 111 | PEG, ACT |
| 3 | 327 | 0.80 | 0.90 | 38 | P6G |
| 4 | 277 | 0.78 | 0.90 | 39 | P6G |
| 5 | 264 | 0.78 | 0.90 | 29 | P6G |
Interfaces
1 interface between chains.
- A–B · 594 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 6QIX · The crystal structure of Trichuris muris p43 · 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 A0A0N5DW69
- Elsewhere: RCSB PDB 6QIX · PDBe 6QIX · UniProt A0A0N5DW69
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