MolNFT v1 · #161838 · protein
Crystal structure of the alpha carbonic anhydrase from schistosoma mansoni
6QQM · Putative carbonic anhydrase: “Crystal structure of the alpha carbonic anhydrase from schistosoma mansoni”. X-ray diffraction, 2 ligands (NAG, ZN), 3 pockets (best druggability 0.71). MolNFT v1 #161838 on GenesisL1: 3D structure…
- PDB
- 6QQM
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- G4VLX3
- Ligands
- NAG, ZN
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative carbonic anhydrase (EC 4.2.1.1) | protein | 277 | 15% helix, 29% strand | G4VLX3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.71 | 0.80 | 92 | GOL |
| 2 | 147 | 0.52 | 0.80 | 24 | empty |
| 3 | 144 | 0.52 | 0.79 | 26 | GOL |
Interfaces
1 interface between chains.
- A–B · 1143 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 glycan, 2 disulfide (glycosylation, disulfide, N-glycosylation).
Compared structures
- 6QQM · Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni · the same entry in another collection · chain A against A, TM-score 1.00
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 G4VLX3
- Elsewhere: RCSB PDB 6QQM · PDBe 6QQM · UniProt G4VLX3
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