9GJ2
Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Cathepsin S | polymer | 242 | 26760.9 | 2 | UniProt (P25774) Pfam (PF00112) In PDB | Homo sapiens (human) | |
2 | A, B | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | non-polymer | 595.7 | 2 | Chemie (KH0) | |||
3 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
5 | B | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
6 | water | water | 18.0 | 446 | Chemie (HOH) |
Sequence modifications
A, B: 0 - 217 (UniProt: P25774)
PDB | External Database | Details |
---|---|---|
Ala 218 | - | expression tag |
Ala 219 | - | expression tag |
Ala 220 | - | expression tag |
Glu 221 | - | expression tag |
Asn 222 | - | expression tag |
Leu 223 | - | expression tag |
Tyr 224 | - | expression tag |
Phe 225 | - | expression tag |
Gln 226 | - | expression tag |
Ser 227 | - | expression tag |
Ser 228 | - | expression tag |
Ser 229 | - | expression tag |
Gly 230 | - | expression tag |
Val 231 | - | expression tag |
Asp 232 | - | expression tag |
Leu 233 | - | expression tag |
Gly 234 | - | expression tag |
Thr 235 | - | expression tag |
His 236 | - | expression tag |
His 237 | - | expression tag |
His 238 | - | expression tag |
His 239 | - | expression tag |
His 240 | - | expression tag |
His 241 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 53521.8 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 1788.0 | |
All* | Total formula weight | 55309.8 |