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 | Transmembrane protease serine 2 non-catalytic chain | polymer | 110 | 12264.6 | 2 | UniProt (O15393) Pfam (PF15494) In PDB | Homo sapiens (human) | |
2 | B, D | Transmembrane protease serine 2 | polymer | 249 | 27856.7 | 2 | UniProt (O15393) Pfam (PF00089) In PDB | Homo sapiens (human) | |
3 | 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 | 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 | D, A, B | TRIS(HYDROXYETHYL)AMINOMETHANE | non-polymer | 163.2 | 4 | Chemie (TAM) | |||
6 | D, A, C | UNKNOWN ATOM OR ION | non-polymer | 3 | Chemie (UNX) | ||||
7 | C, D, A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 20 | Chemie (EDO) | |||
8 | D, B | 6-oxidanylnaphthalene-2-carboximidamide | non-polymer | 186.2 | 2 | Chemie (7R8) | |||
9 | C | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
10 | C | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
11 | C, D | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 2 | Chemie (PG4) | |||
12 | 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 |