Research workbench
Amcase in complex with compound 1
Analyse Amcase in complex with compound 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RM4
- Type
- protein
- Length
- 750 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acidic mammalian chitinase
- EC
- 3.2.1.14
- UniProt
- Q9BZP6
- Ligands
- 3RM
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acidic mammalian chitinase (EC 3.2.1.14) | protein | 373 | 38% helix, 23% strand | Q9BZP6 |
| B | Acidic mammalian chitinase (EC 3.2.1.14) | protein | 377 | 37% helix, 22% strand | Q9BZP6 |
Ligands and binding sites
- 3RM · 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine · ligand · 2 copies · chains A, B
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 | 781 | 0.81 | 0.83 | 92 | 3RM |
| 2 | 77 | 0.47 | 0.83 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 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 Q9BZP6
- Elsewhere: RCSB PDB 3RM4 · PDBe 3RM4 · UniProt Q9BZP6
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