MolNFT v1 · #163747 · protein
Gamma-carbonic anhydrase from the haloarchaeon halobacterium sp.
6SC4 · Uncharacterized protein: “Gamma-carbonic anhydrase from the haloarchaeon halobacterium sp.”. X-ray diffraction, 4 ligands (CD, NA, ZN), 6 pockets (best druggability 0.79). MolNFT v1 #163747 on GenesisL1: 3D structure, binding sites…
- PDB
- 6SC4
- Type
- protein
- Length
- 889 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A0A133ULQ3
- Ligands
- CD, NA, ZN, SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 177 | 12% helix, 41% strand | A0A133ULQ3 |
| B, C, D, E | Uncharacterized protein | protein | 178 | 12% helix, 40% strand | A0A133ULQ3 |
Ligands and binding sites
- CD · Cadmium ion · metal · 13 copies · chains A, E, C, B, D
- NA · Sodium ion · metal · 7 copies · chains A, B, C, D, E
- ZN · Zinc ion · metal · 5 copies · chains A, B, C, D, E
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D, E
- ACT · Acetate ion · additive · 3 copies · chains A, E, B, D
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.79 | 0.81 | 90 | CD |
| 2 | 95 | 0.75 | 0.97 | 28 | SO4 |
| 3 | 444 | 0.72 | 0.82 | 39 | empty |
| 4 | 449 | 0.72 | 0.82 | 39 | empty |
| 5 | 56 | 0.67 | 0.96 | 21 | empty |
Interfaces
7 interfaces between chains.
- B–C · 1345 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 1302 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1287 Ų buried · 26 hydrogen bonds · protein-protein
- B–D · 554 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 248 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6SC4 · Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. · 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 A0A133ULQ3
- Elsewhere: RCSB PDB 6SC4 · PDBe 6SC4 · UniProt A0A133ULQ3
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