MolNFT v1 · #63088 · protein
Crystal structure of carbonic anhydrase NCE103 from saccharomyces cerevisiae
3EYX: “Crystal structure of carbonic anhydrase NCE103 from saccharomyces cerevisiae”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.61). MolNFT v1 #63088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EYX
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- P53615
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carbonic anhydrase (EC 4.2.1.1) | protein | 197 | 52% helix, 17% strand | P53615 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 325 | 0.61 | 0.78 | 43 | empty |
| 2 | 100 | 0.48 | 0.80 | 20 | empty |
| 3 | 114 | 0.46 | 0.78 | 27 | ACT |
| 4 | 126 | 0.43 | 0.76 | 27 | ACT |
| 5 | 57 | 0.28 | 0.75 | 14 | EDO |
Interfaces
1 interface between chains.
- A–B · 2726 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 3EYX · Crystal structure of Carbonic Anhydrase Nce103 from Saccharomyces cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
- P53615 · AlphaFold monomer V2.0 prediction for carbonic anhydrase (P53615) · a predicted model of the same protein · chain B 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 P53615
- Elsewhere: RCSB PDB 3EYX · PDBe 3EYX · UniProt P53615
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