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Crystal structure of the 'cab' type beta class carbonic anhydrase from methanobacterium thermoautotrophicum
Analyse Crystal structure of the 'cab' type beta class carbonic anhydrase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1G5C
- Type
- protein
- Length
- 978 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- Q50565
- Ligands
- ZN, CA
- Pockets
- 17 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Beta-carbonic anhydrase (EC 4.2.1.1) | protein | 169 | 41% helix, 18% strand | Q50565 |
| B, D | Beta-carbonic anhydrase (EC 4.2.1.1) | protein | 158 | 43% helix, 19% strand | Q50565 |
| F | Beta-carbonic anhydrase (EC 4.2.1.1) | protein | 155 | 44% helix, 19% strand | Q50565 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
- CA · Calcium ion · metal · 6 copies · chains A, B, C, E, F
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.64 | 0.84 | 29 | empty |
| 2 | 349 | 0.63 | 0.79 | 40 | CA |
| 3 | 211 | 0.63 | 0.83 | 42 | empty |
| 4 | 223 | 0.60 | 0.81 | 34 | empty |
| 5 | 199 | 0.60 | 0.81 | 27 | empty |
Interfaces
7 interfaces between chains.
- E–F · 2216 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 2158 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2150 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 718 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 251 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1G5C · Crystal structure of the 'cab' type beta class carbonic anhydrase from methanobacterium… · 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 Q50565
- Elsewhere: RCSB PDB 1G5C · PDBe 1G5C · UniProt Q50565
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