Research workbench
Expression tag modified N-terminus of human carbonic anhydrase II covalently linked to fragment
Analyse Expression tag modified N-terminus of human carbonic anhydrase II covalently… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6S9Z
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase 2
- EC
- 4.2.1.1
- UniProt
- P00918
- Ligands
- BE7, L2K, NA, HG, ZN, FOR
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbonic anhydrase 2 (EC 4.2.1.1) | protein | 265 | 16% helix, 29% strand | P00918 |
Ligands and binding sites
- BE7 · (4-carboxyphenyl)(chloro)mercury · ligand · chains A
- L2K · 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- HG · Mercury (II) ion · metal · chains A
- ZN · Zinc ion · metal · chains A
- FOR · Formyl group · ion · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
- PG4 · Tetraethylene glycol · additive · 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 | 125 | 0.51 | 0.80 | 25 | empty |
| 2 | 140 | 0.45 | 0.76 | 24 | empty |
Compared structures
- 6S9Z · Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to… · the same entry in another collection · chain A against A, TM-score 1.00
- P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 6S9Z · PDBe 6S9Z · UniProt P00918
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