MolNFT v1 · #12694 · protein
Neisseria gonorrhoeae carbonic anhydrase
1KOQ: “Neisseria gonorrhoeae carbonic anhydrase”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.47). MolNFT v1 #12694 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KOQ
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- Q50940
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase (EC 4.2.1.1) | protein | 222 | 18% helix, 34% strand | Q50940 |
| B | Carbonic anhydrase (EC 4.2.1.1) | protein | 221 | 15% helix, 35% strand | Q50940 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.47 | 0.78 | 19 | empty |
| 2 | 159 | 0.46 | 0.76 | 21 | empty |
| 3 | 129 | 0.46 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 223 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 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 Q50940
- Elsewhere: RCSB PDB 1KOQ · PDBe 1KOQ · UniProt Q50940
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