9FXI
Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with SEN177
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 | 341 | 38894.8 | 3 | UniProt (Q16769) Pfam (PF04389) | Homo sapiens (human) | Glutaminyl cyclase,QC,sQC,Glutaminyl-tRNA cyclotransferase,Glutamyl cyclase,EC |
| 2 | D, H, I (A, B, C) | COBALT (II) ION | non-polymer | 58.9 | 3 | Chemie (CO) | |||
| 3 | E, G, J (A, B, C) | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | non-polymer | 338.4 | 3 | Chemie (S77) | |||
| 4 | F, K, L (A, C) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | M, N, O (A, B, C) | water | water | 18.0 | 278 | Chemie (HOH) |
Sequence modifications
A, B, C: 32 - 361 (UniProt: Q16769)
| PDB | External Database | Details |
|---|---|---|
| Met 21 | - | initiating methionine |
| Arg 22 | - | expression tag |
| Gly 23 | - | expression tag |
| Ser 24 | - | expression tag |
| His 25 | - | expression tag |
| His 26 | - | expression tag |
| His 27 | - | expression tag |
| His 28 | - | expression tag |
| His 29 | - | expression tag |
| His 30 | - | expression tag |
| Gly 31 | - | expression tag |
| 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 | 116684.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1480.1 | |
| All* | Total formula weight | 118164.5 |
