Research workbench
Chitinase a from serratia marcescens ATCC990 in complex with chitobio- thiazoline.
Analyse Chitinase a from serratia marcescens ATCC990 in complex with chitobio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WLZ
- Type
- protein
- Length
- 538 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase a
- EC
- 3.2.1.14
- UniProt
- A6XFF7
- Ligands
- NGT, NAG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase a (EC 3.2.1.14) | protein | 538 | 28% helix, 27% strand | A6XFF7 |
Ligands and binding sites
- NGT · 3ar,5r,6s,7r,7ar-5-hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d]thiazole-6,7-diol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- DIO · 1,4-diethylene dioxide · additive · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.70 | 0.79 | 50 | DIO, PEG, NGT, NAG |
| 2 | 63 | 0.29 | 0.74 | 16 | empty |
| 3 | 58 | 0.27 | 0.73 | 18 | DIO |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2WLZ · Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline. · the same entry in another collection · 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 A6XFF7
- Elsewhere: RCSB PDB 2WLZ · PDBe 2WLZ · UniProt A6XFF7
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