Research workbench
Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4 ångström resolution
Analyse Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LAS
- Type
- protein
- Length
- 332 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- Q8DVY1
- Ligands
- GAI, ZN, MG
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative carbonic anhydrase (EC 4.2.1.1) | protein | 166 | 40% helix, 17% strand | Q8DVY1 |
Ligands and binding sites
- GAI · Guanidine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
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 | 89 | 0.34 | 0.74 | 19 | GAI |
Interfaces
1 interface between chains.
- A–B · 3864 Ų buried · 59 hydrogen bonds · protein-protein
Compared structures
- 3LAS · Crystal structure of carbonic anhydrase from streptococcus mutans to 1.4 angstrom… · 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 Q8DVY1
- Elsewhere: RCSB PDB 3LAS · PDBe 3LAS · UniProt Q8DVY1
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