5ISM
Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Dipeptidyl peptidase 4 | polymer | 728 | 84476.6 | 2 | UniProt (P27487) Pfam (PF00930) Pfam (PF00326) | Homo sapiens (Human) | ADABP,Adenosine deaminase complexing protein 2,ADCP-2,Dipeptidyl peptidase IV,DPP IV,T-cell activation antigen CD26,TP103 |
| 2 | C, D, E, F, G... (C, D, E, F, G...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 7 | In PDB GlyTouCan (G42666HT) | |||
| 3 | J, K, L, O (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 4 | M (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | N, P (A, B) | (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine | non-polymer | 371.4 | 2 | Chemie (6DG) | |||
| 6 | Q, R (A, B) | water | water | 18.0 | 1665 | Chemie (HOH) |
Sequence modifications
A, B: 39 - 766 (UniProt: P27487)
| PDB | External Database | Details |
|---|---|---|
| Thr 39 | Ser 39 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 168953.3 | |
| Branched | Number of molecules | 7 |
| Total formula weight | 2970.8 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1650.6 | |
| All* | Total formula weight | 173574.7 |
