MolNFT v1 · #2542 · protein
Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I
1BZM: “Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic anhydrase I”. X-ray diffraction, 2 ligands (MZM, ZN), 2 pockets (best druggability 0.55). MolNFT v1 #2542 on GenesisL1: 3D structure, binding…
- PDB
- 1BZM
- Type
- protein
- Length
- 260 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase I
- EC
- 4.2.1.1
- UniProt
- P00915
- Ligands
- MZM, ZN
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase I (EC 4.2.1.1) | protein | 260 | 17% helix, 30% strand | P00915 |
Ligands and binding sites
- MZM · N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 183 | 0.55 | 0.79 | 23 | MZM |
| 2 | 120 | 0.43 | 0.77 | 19 | empty |
Compared structures
- 1BZM · Drug-protein interactions: structure of sulfonamide drug complexed with human carbonic… · the same entry in another collection · chain A against A, TM-score 1.00
- P00915 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 1 (P00915) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00915
- Elsewhere: RCSB PDB 1BZM · PDBe 1BZM · UniProt P00915
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