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Structure of the thermostable alpha-carbonic anydrase from thiomicrospira crunogena xcl-2 gammaproteobacterium
Analyse Structure of the thermostable alpha-carbonic anydrase from thiomicrospira… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XZ5
- Type
- protein
- Length
- 920 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase, alpha family
- EC
- 4.2.1.1
- UniProt
- Q31FD6
- Ligands
- BCT, ZN
- Pockets
- 12 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Carbonic anhydrase, alpha family (EC 4.2.1.1) | protein | 230 | 17% helix, 36% strand | Q31FD6 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.49 | 0.76 | 27 | empty |
| 2 | 129 | 0.49 | 0.79 | 23 | BCT |
| 3 | 189 | 0.48 | 0.76 | 25 | empty |
| 4 | 162 | 0.48 | 0.77 | 19 | empty |
| 5 | 220 | 0.48 | 0.74 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 902 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 899 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 576 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4XZ5 · Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2… · 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 Q31FD6
- Elsewhere: RCSB PDB 4XZ5 · PDBe 4XZ5 · UniProt Q31FD6
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