MolNFT v1 · #170138 · protein
The crystal structure of hca II in complex with a 4-(4- aroylpiperazine-1-CARBONYL)BENZENESULFONAMIDE derivative.
6XXT · Carbonic anhydrase 2: “The crystal structure of hca II in complex with a 4-(4- aroylpiperazine-1-CARBONYL)BENZENESULFONAMIDE…”. X-ray diffraction, 2 ligands (O42, ZN), 1 pocket (best druggability 0.59). MolNFT v1 #170138 on…
- PDB
- 6XXT
- Type
- protein
- Length
- 260 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- O42, ZN
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 260 | 15% helix, 31% strand | P00918 |
Ligands and binding sites
- O42 · 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide · ligand · chains X
- ZN · Zinc ion · metal · chains X
- GOL · Glycerol · additive · chains X
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 | 191 | 0.59 | 0.81 | 28 | ZN, O42, GOL |
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 P00918
- Elsewhere: RCSB PDB 6XXT · PDBe 6XXT · UniProt P00918
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