MolNFT v1 · #170920 · protein
Structure of D169A/E171A double mutant of chitinase CHIT42 from trichoderma harzianum complexed with chitintetraose.
6YN4 · Endochitinase 42: “Structure of D169A/E171A double mutant of chitinase CHIT42 from trichoderma harzianum complexed with…”. X-ray diffraction, 2 ligands (NAG, ZN), 2 pockets (best druggability 0.68). MolNFT v1 #170920 on GenesisL1…
- PDB
- 6YN4
- Type
- protein
- Length
- 389 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endochitinase 42
- EC
- 3.2.1.14
- UniProt
- P48827
- Ligands
- NAG, ZN
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endochitinase 42 (EC 3.2.1.14) | protein | 389 | 36% helix, 21% strand | P48827 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- ZN · Zinc ion · metal · 5 copies · chains A
- ACT · Acetate ion · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.68 | 0.80 | 44 | NAG |
| 2 | 63 | 0.30 | 0.75 | 17 | empty |
Compared structures
- 6YN4 · Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum… · the same entry in another collection · chain A against A, TM-score 1.00
- P48827 · AlphaFold monomer V2.0 prediction for endochitinase 42 (P48827) · a predicted model of the same protein · 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 P48827
- Elsewhere: RCSB PDB 6YN4 · PDBe 6YN4 · UniProt P48827
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