MolNFT v1 · #166130 · protein
Human carbonic anhydrase IX-mimic complexed with SB4-205
6UGO: “Human carbonic anhydrase IX-mimic complexed with SB4-205”. X-ray diffraction, 2 ligands (Q77, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #166130 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UGO
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase IX-mimic
- UniProt
- P00918
- Ligands
- Q77, ZN
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase IX-mimic | protein | 257 | 16% helix, 31% strand | P00918 |
Ligands and binding sites
- Q77 · 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H, 4H)-trione · ligand · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- CIT · Citric acid · 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 | 161 | 0.57 | 0.82 | 24 | Q77 |
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 6UGO · PDBe 6UGO · UniProt P00918
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