4A5S
CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 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 | DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM | polymer | 740 | 85831.2 | 2 | UniProt (P27487) Pfam (PF00930) Pfam (PF00326) In PDB | HOMO SAPIENS (HUMAN) | DIPEPTIDYL PEPTIDASE IV SOLUBLE FORM, DIPEPTIDYL PEPTIDASE 4, ADABP, ADENOSINE DEAMINASE COMPLEXING PROTEIN 2, ADCP-2, DIPEPTIDYL PEPTIDASE IV, DPP IV, T-CELL ACTIVATION ANTIGEN CD26, TP103, CD_ANTIGEN=CD26 |
2 | C | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G21381MC) | |||
3 | A, B | 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE | non-polymer | 489.6 | 2 | Chemie (N7F) | |||
4 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 12 | Chemie (NAG) | |||
5 | A, B | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
6 | water | water | 18.0 | 1590 | Chemie (HOH) |
Sequence modifications
A, B: 39 - 766 (UniProt: P27487)
PDB | External Database | Details |
---|---|---|
Ala 767 | - | expression tag |
Ala 768 | - | expression tag |
Ala 769 | - | expression tag |
Ser 770 | - | expression tag |
Trp 771 | - | expression tag |
Ser 772 | - | expression tag |
His 773 | - | expression tag |
Pro 774 | - | expression tag |
Gln 775 | - | expression tag |
Phe 776 | - | expression tag |
Glu 777 | - | expression tag |
Lys 778 | - | expression tag |
Ile 437 | Ser 437 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 171662.3 | |
Branched | Number of molecules | 1 |
Total formula weight | 910.8 | |
Non-Polymers* | Number of molecules | 20 |
Total formula weight | 4210.0 | |
All* | Total formula weight | 176783.2 |