MolNFT v1 · #146286 · protein
Crystal structure of selaginella moellendorffii hct
6DD2 · Probable hydroxycinnamoyl transferase: “Crystal structure of selaginella moellendorffii hct”. X-ray diffraction, 9 pockets (best druggability 0.82). MolNFT v1 #146286 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DD2
- Type
- protein
- Length
- 827 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable hydroxycinnamoyl transferase
- EC
- 2.3.1.-, 2.3.1.133
- UniProt
- D8T7G0
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable hydroxycinnamoyl transferase (EC 2.3.1.-, 2.3.1.133) | protein | 413 | 27% helix, 21% strand | D8T7G0 |
| B | Probable hydroxycinnamoyl transferase (EC 2.3.1.-, 2.3.1.133) | protein | 414 | 24% helix, 23% strand | D8T7G0 |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 852 | 0.82 | 0.84 | 81 | empty |
| 2 | 798 | 0.81 | 0.84 | 86 | empty |
| 3 | 296 | 0.64 | 0.81 | 42 | empty |
| 4 | 61 | 0.60 | 0.91 | 21 | empty |
| 5 | 141 | 0.56 | 0.82 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 680 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6DD2 · Crystal structure of Selaginella moellendorffii HCT · 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 D8T7G0
- Elsewhere: RCSB PDB 6DD2 · PDBe 6DD2 · UniProt D8T7G0
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