8V1F
TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Transmembrane protease serine 2 non-catalytic chain | polymer | 110 | 12264.6 | 2 | UniProt (O15393) Pfam (PF15494) | Homo sapiens (human) | |
| 2 | B, D (B, D) | Transmembrane protease serine 2 | polymer | 249 | 27856.7 | 2 | UniProt (O15393) Pfam (PF00089) | Homo sapiens (human) | |
| 3 | E (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | F (F) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 5 | EA, G, N, P (D, A, B) | TRIS(HYDROXYETHYL)AMINOMETHANE | non-polymer | 163.2 | 4 | Chemie (TAM) | |||
| 6 | DA, H, Z (D, A, C) | UNKNOWN ATOM OR ION | non-polymer | 3 | Chemie (UNX) | ||||
| 7 | AA, GA, HA, I, IA... (C, D, A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 20 | Chemie (EDO) | |||
| 8 | FA, O (D, B) | 6-oxidanylnaphthalene-2-carboximidamide | non-polymer | 186.2 | 2 | Chemie (7R8) | |||
| 9 | X (C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 10 | CA, Y (C) | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
| 11 | BA, JA (C, D) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
| 12 | OA, PA, QA, RA (A, B, C, D) | water | water | 18.0 | 310 | Chemie (HOH) |
Sequence modifications
A, C: 148 - 255 (UniProt: O15393)
B, D: 256 - 492 (UniProt: O15393)
| PDB | External Database | Details |
|---|---|---|
| Ala 146 | - | expression tag |
| Ala 147 | - | expression tag |
| Asp 251 | Ser 251 | engineered mutation |
| Asp 252 | Arg 252 | engineered mutation |
| Asp 253 | Gln 253 | engineered mutation |
| Asp 254 | Ser 254 | engineered mutation |
| Lys 255 | Arg 255 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Glu 493 | - | expression tag |
| Phe 494 | - | expression tag |
| Val 495 | - | expression tag |
| Glu 496 | - | expression tag |
| His 497 | - | expression tag |
| His 498 | - | expression tag |
| His 499 | - | expression tag |
| His 500 | - | expression tag |
| His 501 | - | expression tag |
| His 502 | - | expression tag |
| His 503 | - | expression tag |
| His 504 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 80242.7 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 994.9 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 3145.5 | |
| All* | Total formula weight | 84383.1 |
