MolNFT v1 · #135540 · protein
Structure of N2152 from neocallimastix frontalis
5U22: “Structure of N2152 from neocallimastix frontalis”. X-ray diffraction, 1 ligand (IOD), 1 pocket (best druggability 0.48). MolNFT v1 #135540 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5U22
- Type
- protein
- Length
- 403 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N2152
- Ligands
- IOD
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N2152 | protein | 403 | 29% helix, 29% strand | — |
Ligands and binding sites
- IOD · Iodide ion · ion · 13 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.48 | 0.80 | 16 | BTB |
Compared structures
- 5U22 · Structure of N2152 from Neocallimastix frontalis · 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
- Elsewhere: RCSB PDB 5U22 · PDBe 5U22
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