MolNFT v1 · #184751 · protein
Carbonic anhydrase VII sultam based inhibitors
7P1A · Carbonic anhydrase 7: “Carbonic anhydrase VII sultam based inhibitors”. X-ray diffraction, 2 ligands (4IQ, ZN), 1 pocket (best druggability 0.54). MolNFT v1 #184751 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7P1A
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 7
- EC
- 4.2.1.1
- UniProt
- P43166
- Ligands
- 4IQ, ZN
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 7 (EC 4.2.1.1) | protein | 258 | 15% helix, 29% strand | P43166 |
Ligands and binding sites
- 4IQ · 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · 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 | 172 | 0.54 | 0.79 | 25 | 4IQ |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 7P1A · PDBe 7P1A · UniProt P43166
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