MolNFT v1 · #122465 · protein
Crystal structure of human carbonic anhydrase isozyme IV with 5-(2- amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide
5IPZ · Carbonic anhydrase 4: “Crystal structure of human carbonic anhydrase isozyme IV with 5-(2…”. X-ray diffraction, 2 ligands (6CC, ZN), 14 pockets (best druggability 0.74). MolNFT v1 #122465 on GenesisL1: 3D structure, binding sites…
- PDB
- 5IPZ
- Type
- protein
- Length
- 1,025 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 4
- EC
- 4.2.1.1
- UniProt
- P22748
- Ligands
- 6CC, ZN
- Pockets
- 14 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 13% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 4 (EC 4.2.1.1) | protein | 261 | 15% helix, 31% strand | P22748 |
| B | Carbonic anhydrase 4 (EC 4.2.1.1) | protein | 256 | 15% helix, 32% strand | P22748 |
| C | Carbonic anhydrase 4 (EC 4.2.1.1) | protein | 255 | 12% helix, 32% strand | P22748 |
| D | Carbonic anhydrase 4 (EC 4.2.1.1) | protein | 253 | 10% helix, 31% strand | P22748 |
Ligands and binding sites
- 6CC · 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.74 | 0.78 | 69 | 6CC |
| 2 | 714 | 0.70 | 0.77 | 51 | empty |
| 3 | 780 | 0.67 | 0.75 | 67 | empty |
| 4 | 139 | 0.52 | 0.80 | 23 | 6CC |
| 5 | 99 | 0.49 | 0.81 | 24 | 6CC |
Interfaces
3 interfaces between chains.
- C–D · 462 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 411 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 99 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 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 P22748
- Elsewhere: RCSB PDB 5IPZ · PDBe 5IPZ · UniProt P22748
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.