Research workbench
Human carbonic anhydrase II in a doubled monoclinic cell: a re- determination
Analyse Human carbonic anhydrase II in a doubled monoclinic cell: a re- determination in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MWO
- Type
- protein
- Length
- 514 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 257 | 16% helix, 31% strand | P00918 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.58 | 0.77 | 47 | empty |
| 2 | 152 | 0.56 | 0.81 | 25 | empty |
| 3 | 152 | 0.56 | 0.81 | 25 | empty |
| 4 | 80 | 0.36 | 0.76 | 16 | empty |
| 5 | 57 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 398 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3MWO · Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination · the same entry in another collection · chain A against A, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · 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 P00918
- Elsewhere: RCSB PDB 3MWO · PDBe 3MWO · UniProt P00918
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