1T31
A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chymase | polymer | 226 | 24991.9 | 1 | UniProt (P23946) Pfam (PF00089) | Homo sapiens (human) | Mast cell protease I |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | D, E, F, G, H... (A) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 5 | K (A) | COBALT (II) ION | non-polymer | 58.9 | 1 | Chemie (CO) | |||
| 6 | L (A) | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | non-polymer | 670.7 | 1 | Chemie (OHH) | |||
| 7 | M (A) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 8 | N (A) | water | water | 18.0 | 219 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P23946)
| PDB | External Database | Details |
|---|---|---|
| Phe 129 | Lys 135 | engineered mutation |
| Ala 208 | Val 212 | engineered mutation |
| Gln 235 | Arg 237 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24991.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1818.5 | |
| All* | Total formula weight | 27234.8 |
