Research workbench
Crystal structure of S. marcescens chitinase a mutant W167A in complex with allosamidin
Analyse Crystal structure of S. marcescens chitinase a mutant W167A in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X6N
- Type
- protein
- Length
- 539 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase a
- EC
- 3.2.1.14
- UniProt
- P07254
- Ligands
- AMI, NAA
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase a (EC 3.2.1.14) | protein | 539 | 28% helix, 26% strand | P07254 |
Ligands and binding sites
- AMI · Allosamizoline · ligand · chains A
- NAA · 2-acetamido-2-deoxy-beta-D-allopyranose · sugar · 2 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 | 689 | 0.73 | 0.79 | 66 | NAA, AMI |
| 2 | 53 | 0.25 | 0.73 | 14 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1X6N · Crystal structure of S. marcescens chitinase A mutant W167A in complex with allosamidin · the same entry in another collection · chain A against A, TM-score 1.00
- P07254 · AlphaFold monomer V2.0 prediction for chitinase a (P07254) · 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 P07254
- Elsewhere: RCSB PDB 1X6N · PDBe 1X6N · UniProt P07254
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