Research workbench
Crystal structure of a putative catalytic domain of a chitinase-like protein (HBCLP1) from hevea brasiliensis
Analyse Crystal structure of a putative catalytic domain of a chitinase-like protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MST
- Type
- protein
- Length
- 481 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class I chitinase
- EC
- 3.2.1.14
- UniProt
- Q949H3
- Ligands
- CL
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Class I chitinase (EC 3.2.1.14) | protein | 241 | 44% helix, 2% strand | Q949H3 |
| B | Class I chitinase (EC 3.2.1.14) | protein | 240 | 44% helix, 2% strand | Q949H3 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.63 | 0.80 | 36 | empty |
| 2 | 339 | 0.58 | 0.76 | 46 | empty |
| 3 | 313 | 0.56 | 0.76 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 249 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4MST · Crystal Structure of a putative catalytic domain of a chitinase-like protein (HbCLP1)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q949H3 · AlphaFold monomer V2.0 prediction for inactive chitinase-like protein 1 (Q949H3) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q949H3
- Elsewhere: RCSB PDB 4MST · PDBe 4MST · UniProt Q949H3
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