MolNFT v1 · #71362 · protein
Crystal structure of the murine inhibitor of carbonic anhydrase
3MC2: “Crystal structure of the murine inhibitor of carbonic anhydrase”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #71362 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MC2
- Type
- protein
- Length
- 2,700 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inhibitor of carbonic anhydrase
- UniProt
- Q9DBD0
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Inhibitor of carbonic anhydrase | protein | 675 | 28% helix, 19% strand | Q9DBD0 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.82 | 0.97 | 29 | empty |
| 2 | 289 | 0.78 | 0.90 | 47 | empty |
| 3 | 289 | 0.78 | 0.90 | 50 | empty |
| 4 | 234 | 0.77 | 0.91 | 37 | empty |
| 5 | 250 | 0.77 | 0.90 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–C · 450 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 440 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 419 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 64 disulfide (disulfide).
Compared structures
- 3MC2 · Crystal Structure of the Murine Inhibitor of Carbonic Anhydrase · the same entry in another collection · chain A against A, TM-score 1.00
- Q9DBD0 · AlphaFold monomer V2.0 prediction for inhibitor of carbonic anhydrase (Q9DBD0) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9DBD0
- Elsewhere: RCSB PDB 3MC2 · PDBe 3MC2 · UniProt Q9DBD0
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