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The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
Analyse The crystal structure of human carbonic anhydrase VII in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H38
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Homo sapiens
- Molecule
- Carbonic anhydrase 7
- EC
- 4.2.1.1
- UniProt
- P43166
- Ligands
- FKK, ZN
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · resolution 1.7 · 1 distinct chain · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 7 (EC 4.2.1.1) | protein | 259 | 15% helix, 31% strand | P43166 |
Ligands and binding sites
- FKK · 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.56 | 0.81 | 25 | FKK, GOL |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6H38 · The crystal structure of human carbonic anhydrase VII in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P43166 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 7 (P43166) · 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 P43166
- Elsewhere: RCSB PDB 6H38 · PDBe 6H38 · UniProt P43166
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