MolNFT v1 · #105839 · protein
Crystal structure of human carbonic anhydrase II in complex with 2-(6- hydroxy-3-oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1H-[1,2, 3]TRIAZOL-4-ylmethyl-thioureido}-benzoic acid
4RH2 · Carbonic anhydrase 2: “Crystal structure of human carbonic anhydrase II in complex with 2-(6…”. X-ray diffraction, 2 ligands (FC9, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #105839 on GenesisL1: 3D structure, binding sites…
- PDB
- 4RH2
- Type
- protein
- Length
- 257 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
- FC9, ZN
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 257 | 15% helix, 30% strand | P00918 |
Ligands and binding sites
- FC9 · 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid · 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 | 155 | 0.57 | 0.81 | 27 | 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 4RH2 · PDBe 4RH2 · UniProt P00918
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