MolNFT v1 · #22827 · protein
Carbonic anhydrase from methanosarcina
1THJ: “Carbonic anhydrase from methanosarcina”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.77). MolNFT v1 #22827 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1THJ
- Type
- protein
- Length
- 639 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbonic anhydrase
- EC
- 4.2.1.1
- UniProt
- P40881
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Carbonic anhydrase (EC 4.2.1.1) | protein | 213 | 14% helix, 33% strand | P40881 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, C, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.77 | 0.97 | 30 | empty |
| 2 | 335 | 0.52 | 0.73 | 36 | empty |
| 3 | 92 | 0.44 | 0.79 | 24 | ZN |
| 4 | 79 | 0.34 | 0.75 | 15 | empty |
| 5 | 53 | 0.31 | 0.76 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1444 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 1439 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 1425 Ų buried · 25 hydrogen bonds · protein-protein
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 P40881
- Elsewhere: RCSB PDB 1THJ · PDBe 1THJ · UniProt P40881
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