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Crystal structure of ixodes scapularis glutaminyl cyclase with two zn ions bound to the active site
Analyse Crystal structure of ixodes scapularis glutaminyl cyclase with two zn ions… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7D21
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaminyl-peptide cyclotransferase
- EC
- 2.3.2.5
- UniProt
- B7QK46
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaminyl-peptide cyclotransferase (EC 2.3.2.5) | protein | 328 | 36% helix, 19% strand | B7QK46 |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.47 | 0.76 | 20 | empty |
| 2 | 90 | 0.39 | 0.77 | 22 | EPE |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7D21 · Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the… · the same entry in another collection · chain A against A, TM-score 1.00
- B7QK46 · AlphaFold monomer V2.0 prediction for glutaminyl-peptide cyclotransferase (B7QK46) · a predicted model of the same protein · 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 B7QK46
- Elsewhere: RCSB PDB 7D21 · PDBe 7D21 · UniProt B7QK46
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