MolNFT v1 · #141444 · protein
Smchia sliding-intermediate with chitopentaose
5Z7N · Chitinase a: “Smchia sliding-intermediate with chitopentaose”. X-ray diffraction, 2 ligands (NAG, NDG), 3 pockets (best druggability 0.70). MolNFT v1 #141444 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5Z7N
- Type
- protein
- Length
- 540 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase a
- Ligands
- NAG, NDG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase a | protein | 540 | 28% helix, 26% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- GOL · Glycerol · additive · 10 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 621 | 0.70 | 0.78 | 58 | NAG, GOL, NDG |
| 2 | 89 | 0.36 | 0.75 | 22 | GOL |
| 3 | 97 | 0.35 | 0.74 | 24 | GOL |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5Z7N · SmChiA sliding-intermediate with chitopentaose · 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 5Z7N · PDBe 5Z7N
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