MolNFT v1 · #120420 · protein
Crystal structure of chitinase chiw from paenibacillus sp. str. fpu-7 reveals a novel type of bacterial cell-surface-expressed multi- modular enzyme machinery
5GZV: “Crystal structure of chitinase chiw from paenibacillus sp. str. fpu-7 reveals a novel type of bacterial…”. X-ray diffraction, 2 ligands (NAG, PO4), 15 pockets (best druggability 0.73). MolNFT v1 #120420 on GenesisL1: 3D structure…
- PDB
- 5GZV
- Type
- protein
- Length
- 1,719 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase
- UniProt
- K7ZLW6
- Ligands
- NAG, PO4
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase | protein | 860 | 32% helix, 25% strand | K7ZLW6 |
| B | Chitinase | protein | 859 | 33% helix, 22% strand | K7ZLW6 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.73 | 0.76 | 88 | empty |
| 2 | 787 | 0.72 | 0.77 | 63 | empty |
| 3 | 655 | 0.65 | 0.75 | 57 | empty |
| 4 | 424 | 0.62 | 0.76 | 41 | NAG |
| 5 | 431 | 0.61 | 0.76 | 41 | NAG |
Interfaces
1 interface between chains.
- A–B · 1247 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5GZV · Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel… · 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 K7ZLW6
- Elsewhere: RCSB PDB 5GZV · PDBe 5GZV · UniProt K7ZLW6
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