MolNFT v1 · #92200 · protein
Structure of native hct from coffea canephora
4G0B · Hydroxycinnamoyl-CoA SHIKIMATE/QUINATE…: “Structure of native hct from coffea canephora”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.83). MolNFT v1 #92200 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4G0B
- Type
- protein
- Length
- 844 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxycinnamoyl-CoA SHIKIMATE/QUINATE hydroxycinnamoyltransferase
- EC
- 2.3.1.133
- UniProt
- A4ZKE4
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxycinnamoyl-CoA SHIKIMATE/QUINATE hydroxycinnamoyltransferase (EC 2.3.1.133) | protein | 421 | 32% helix, 24% strand | A4ZKE4 |
| B | Hydroxycinnamoyl-CoA SHIKIMATE/QUINATE hydroxycinnamoyltransferase (EC 2.3.1.133) | protein | 423 | 31% helix, 24% strand | A4ZKE4 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.83 | 0.85 | 65 | empty |
| 2 | 703 | 0.81 | 0.85 | 74 | empty |
| 3 | 733 | 0.81 | 0.85 | 61 | empty |
| 4 | 97 | 0.72 | 0.94 | 22 | empty |
| 5 | 123 | 0.44 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 745 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4G0B · Structure of native HCT from Coffea canephora · 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 A4ZKE4
- Elsewhere: RCSB PDB 4G0B · PDBe 4G0B · UniProt A4ZKE4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.