Research workbench
Crystal structure HPIC1 F138S
Analyse Crystal structure HPIC1 F138S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AL7
- Type
- protein
- Length
- 776 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 12-epi-hapalindole C/U synthase
- UniProt
- A0A076NBW8
- Ligands
- CA
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | 12-epi-hapalindole C/U synthase | protein | 198 | 0% helix, 45% strand | A0A076NBW8 |
| B | 12-epi-hapalindole C/U synthase | protein | 200 | 0% helix, 45% strand | A0A076NBW8 |
| E | 12-epi-hapalindole C/U synthase | protein | 180 | 0% helix, 33% strand | A0A076NBW8 |
Ligands and binding sites
- CA · Calcium ion · metal · 9 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.82 | 0.97 | 26 | empty |
| 2 | 186 | 0.82 | 0.96 | 24 | empty |
| 3 | 178 | 0.81 | 0.95 | 25 | empty |
| 4 | 156 | 0.80 | 0.96 | 23 | empty |
| 5 | 128 | 0.68 | 0.90 | 26 | empty |
Interfaces
3 interfaces between chains.
- D–E · 910 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 877 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 150 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6AL7 · Crystal structure HpiC1 F138S · 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 A0A076NBW8
- Elsewhere: RCSB PDB 6AL7 · PDBe 6AL7 · UniProt A0A076NBW8
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