Research workbench
Crystal structure of F65A/Y131C carbonic anhydrase V, covalently modified with 4-chloromethylimidazole
Analyse Crystal structure of F65A/Y131C carbonic anhydrase V, covalently modified with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1KEQ
- Type
- protein
- Length
- 476 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- F65A/Y131C-mi carbonic anhydrase V
- EC
- 4.2.1.1
- UniProt
- P23589
- Ligands
- 4MZ, ZN, K
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | F65A/Y131C-mi carbonic anhydrase V (EC 4.2.1.1) | protein | 238 | 13% helix, 34% strand | P23589 |
Ligands and binding sites
- 4MZ · 4-methylimidazole · ligand · 5 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · chains A
- ACY · Acetic acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.55 | 0.79 | 27 | ACY |
| 2 | 184 | 0.54 | 0.79 | 26 | 4MZ, ACY |
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 1KEQ · Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with… · the same entry in another collection · chain A against A, TM-score 1.00
- P23589 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 5A, mitochondrial (P23589) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P23589
- Elsewhere: RCSB PDB 1KEQ · PDBe 1KEQ · UniProt P23589
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