2IIT
Human dipeptidyl peptidase 4 in complex with a diazepan-2-one 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 soluble form | polymer | 728 | 84476.6 | 2 | UniProt (P27487) Pfam (PF00930) Pfam (PF00326) | Homo sapiens (human) | Dipeptidyl peptidase IV soluble form |
| 2 | C, F (C, F) | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G07375KG) | |||
| 3 | D, E, G, H, I... (D, E, G, H, I...) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 7 | In PDB GlyTouCan (G42666HT) | |||
| 4 | L, M, N, Q, R... (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 5 | O (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | P, T (A, B) | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE | non-polymer | 411.3 | 2 | Chemie (872) | |||
| 7 | U, V (A, B) | water | water | 18.0 | 760 | 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 | 9 |
| Total formula weight | 3819.6 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2172.9 | |
| All* | Total formula weight | 174945.8 |
