Research workbench
Crystal structure of tannerella forsythia glutaminyl cyclase
Analyse Crystal structure of tannerella forsythia glutaminyl cyclase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QRO
- Type
- protein
- Length
- 1,164 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine cyclotransferase
- EC
- 3.4.-.-
- UniProt
- G8UMP8
- Ligands
- ZN, SO4
- Pockets
- 15 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutamine cyclotransferase (EC 3.4.-.-) | protein | 291 | 37% helix, 19% strand | G8UMP8 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.54 | 0.83 | 21 | empty |
| 2 | 92 | 0.52 | 0.83 | 22 | empty |
| 3 | 137 | 0.51 | 0.80 | 21 | empty |
| 4 | 154 | 0.49 | 0.78 | 30 | SO4 |
| 5 | 131 | 0.46 | 0.78 | 28 | SO4 |
Interfaces
4 interfaces between chains.
- A–B · 817 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 780 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 646 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 80 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6QRO · Crystal structure of Tannerella forsythia glutaminyl cyclase · 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 G8UMP8
- Elsewhere: RCSB PDB 6QRO · PDBe 6QRO · UniProt G8UMP8
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