MolNFT v1 · #175798 · protein
Crystal structure of ixodes scapularis glutaminyl cyclase with two zn ions bound to the active site
7D21 · Glutaminyl-peptide cyclotransferase: “Crystal structure of ixodes scapularis glutaminyl cyclase with two zn ions bound to the active site”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.47). MolNFT v1 #175798 on…
- 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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