7M1V
Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the super-open conformation
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Core protein | polymer | 221 | 23132.7 | 2 | UniProt (A0A219YLK5) Pfam (PF01002) Pfam (PF00949) UniProt (by SIFTS) (A0A024B7W1) In PDB | Zika virus (ZIKV) | Envelope protein E,Flavivirin protease NS2B regulatory subunit,Flavivirin protease NS3 catalytic subunit,Genome polyprotein,Matrix protein,Non-structural protein 1,Non-structural protein 2A,Non-structural protein 2B,Non-structural protein 3,Non-structural protein 4A,Non-structural protein 4B,Peptide 2k,Peptide pr,Protein prM,RNA-directed RNA polymerase NS5,Serine protease NS3,Serine protease subunit NS2B,Small envelope protein M,Envelope protein E,Flavivirin protease NS2B regulatory subunit,Flavivirin protease NS3 catalytic subunit,Genome polyprotein,Matrix protein,Non-structural protein 1,Non-structural protein 2A,Non-structural protein 2B,Non-structural protein 3,Non-structural protein 4A,Non-structural protein 4B,Peptide 2k,Peptide pr,Protein prM,RNA-directed RNA polymerase NS5,Serine protease NS3,Serine protease subunit NS2B,Small envelope protein M |
| 2 | A | 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide | non-polymer | 640.7 | 1 | Chemie (YO1) | |||
| 3 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | water | water | 18.0 | 300 | Chemie (HOH) |
Sequence modifications
A, B: 48 - 990 (UniProt: A0A219YLK5)
A, B: 1002 - 1159 (UniProt: A0A219YLK5)
| PDB | External Database | Details |
|---|---|---|
| Gly 43 | - | expression tag |
| Pro 44 | - | expression tag |
| Leu 45 | - | expression tag |
| Gly 46 | - | expression tag |
| Ser 47 | - | expression tag |
| Val 67 | Ile 1435 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ala 991 | - | linker |
| Gly 992 | - | linker |
| Gly 993 | - | linker |
| Gly 994 | - | linker |
| Gly 995 | - | linker |
| Ser 996 | - | linker |
| Gly 997 | - | linker |
| Gly 998 | - | linker |
| Gly 999 | - | linker |
| Gly 1000 | - | linker |
| Ser 1001 | - | linker |
| Thr 1030 | Leu 1528 | conflict |
| Ser 1031 | Leu 1529 | conflict |
| Ser 1080 | Cys 1578 | conflict |
| Cys 1088 | Ala 1586 | conflict |
| Ser 1143 | Cys 1641 | conflict |
| Cys 1157 | Lys 1655 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46265.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 940.5 | |
| All* | Total formula weight | 47205.9 |
