MolNFT v1 · #83053 · protein
Crystal structure of catalytic domain of chitinase from ralstonia sp. a-471
3W6B · Lysozyme-like chitinolytic enzyme: “Crystal structure of catalytic domain of chitinase from ralstonia sp. a-471”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #83053 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3W6B
- Type
- protein
- Length
- 619 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysozyme-like chitinolytic enzyme
- EC
- 3.2.1.14
- UniProt
- B7XCV4
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme-like chitinolytic enzyme (EC 3.2.1.14) | protein | 160 | 57% helix, 2% strand | B7XCV4 |
| B, C, D | Lysozyme-like chitinolytic enzyme (EC 3.2.1.14) | protein | 153 | 58% helix, 2% strand | B7XCV4 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, C, D
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 | 423 | 0.72 | 0.83 | 44 | GOL |
| 2 | 534 | 0.68 | 0.78 | 49 | empty |
| 3 | 188 | 0.63 | 0.84 | 30 | empty |
| 4 | 251 | 0.58 | 0.78 | 33 | GOL |
| 5 | 142 | 0.57 | 0.83 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 667 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 491 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 476 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3W6B · Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 · 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 B7XCV4
- Elsewhere: RCSB PDB 3W6B · PDBe 3W6B · UniProt B7XCV4
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