MolNFT v1 · #175788 · protein
Crystal structure of ixodes scapularis glutaminyl cyclase with three cu ions bound to the active site
7D1N · Glutaminyl-peptide cyclotransferase: “Crystal structure of ixodes scapularis glutaminyl cyclase with three cu ions bound to the active site”. X-ray diffraction, 2 ligands (BCT, CU), 3 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 7D1N
- Type
- protein
- Length
- 325 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
- BCT, CU
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaminyl-peptide cyclotransferase (EC 2.3.2.5) | protein | 325 | 34% helix, 17% strand | B7QK46 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.68 | 0.82 | 35 | BCT |
| 2 | 71 | 0.51 | 0.85 | 14 | empty |
| 3 | 166 | 0.47 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7D1N · Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu 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 0.99
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 7D1N · PDBe 7D1N · UniProt B7QK46
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