4YWY
Crystal Structure of double mutant Y115E Y117E human Glutaminyl Cyclase in complex with inhibitor PBD-150
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | Glutaminyl-peptide cyclotransferase | polymer | 361 | 40856.3 | 3 | UniProt (Q16769) Pfam (PF04389) | Homo sapiens (Human) | Glutaminyl cyclase,sQC,Glutaminyl-tRNA cyclotransferase,Glutamyl cyclase,EC |
| 2 | D, O, Z (A, B, C) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 3 | AA, E, P (C, A, B) | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea | non-polymer | 320.4 | 3 | Chemie (PBD) | |||
| 4 | BA, CA, DA, EA, F... (C, A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 20 | Chemie (EDO) | |||
| 5 | HA, IA, M, X, Y (C, A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 6 | N (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | JA, KA, LA (A, B, C) | water | water | 18.0 | 1301 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 361 (UniProt: Q16769)
| PDB | External Database | Details |
|---|---|---|
| Glu 115 | Tyr 115 | engineered mutation |
| Glu 117 | Tyr 117 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 122568.9 | |
| Non-Polymers* | Number of molecules | 32 |
| Total formula weight | 2914.6 | |
| All* | Total formula weight | 125483.4 |
