MolNFT v1 · #107022 · protein
SCCTS1 in complex with compound 5
4TXE · Endochitinase: “SCCTS1 in complex with compound 5”. X-ray diffraction, 1 ligand (38F), 1 pocket (best druggability 0.47). MolNFT v1 #107022 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TXE
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endochitinase
- EC
- 3.2.1.14
- UniProt
- P29029
- Ligands
- 38F
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endochitinase (EC 3.2.1.14) | protein | 288 | 32% helix, 20% strand | P29029 |
Ligands and binding sites
- 38F · (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.47 | 0.80 | 28 | 38F |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P29029
- Elsewhere: RCSB PDB 4TXE · PDBe 4TXE · UniProt P29029
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