6EEH
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Carbonic anhydrase 2 | polymer | 257 | 28844.5 | 1 | UniProt (P00918) Pfam (PF00194) | Homo sapiens (Human) | Carbonate dehydratase II,Carbonic anhydrase C,CAC,Carbonic anhydrase II,CA-II |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D, E (A) | N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea | non-polymer | 472.3 | 3 | Chemie (J4D) | |||
| 4 | F (A) | water | water | 18.0 | 81 | Chemie (HOH) |
Sequence modifications
A: 4 - 261 (UniProt: P00918)
| PDB | External Database | Details |
|---|---|---|
| Ser 65 | Ala 65 | engineered mutation |
| Gln 67 | Asn 67 | engineered mutation |
| Thr 69 | Glu 69 | engineered mutation |
| Leu 91 | Ile 91 | engineered mutation |
| Val 131 | Phe 130 | engineered mutation |
| Glu 170 | Lys 169 | engineered mutation |
| Ala 204 | Leu 203 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28844.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1482.2 | |
| All* | Total formula weight | 30326.6 |
