7NEX
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Carbonic anhydrase | polymer | 332 | 37931.5 | 2 | UniProt (A0A3Q0KSG2) Pfam (PF00194) | Schistosoma mansoni (Blood fluke) | |
| 2 | C, D, E (G, C, D) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 3 | F, J (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | G, K (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | H (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | I, L (A, B) | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide | non-polymer | 325.4 | 2 | Chemie (8JS) | |||
| 7 | M, N (A, B) | water | water | 18.0 | 280 | Chemie (HOH) |
Sequence modifications
A, B: 21 - 298 (UniProt: A0A3Q0KSG2)
| PDB | External Database | Details |
|---|---|---|
| Met -8 | - | initiating methionine |
| Glu -7 | - | expression tag |
| Thr -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Thr -4 | - | expression tag |
| Leu -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Trp 0 | - | expression tag |
| Val 1 | - | expression tag |
| Leu 2 | - | expression tag |
| Leu 3 | - | expression tag |
| Leu 4 | - | expression tag |
| Trp 5 | - | expression tag |
| Val 6 | - | expression tag |
| Pro 7 | - | expression tag |
| Gly 8 | - | expression tag |
| Ser 9 | - | expression tag |
| Thr 10 | - | expression tag |
| Gly 11 | - | expression tag |
| Asp 12 | - | expression tag |
| Ala 13 | - | expression tag |
| Ala 14 | - | expression tag |
| Gln 15 | - | expression tag |
| Pro 16 | - | expression tag |
| Ala 17 | - | expression tag |
| Arg 18 | - | expression tag |
| Arg 19 | - | expression tag |
| Ala 20 | - | expression tag |
| Arg 299 | - | expression tag |
| Gly 300 | - | expression tag |
| Gly 301 | - | expression tag |
| Pro 302 | - | expression tag |
| Glu 303 | - | expression tag |
| Gln 304 | - | expression tag |
| Lys 305 | - | expression tag |
| Leu 306 | - | expression tag |
| Ile 307 | - | expression tag |
| Ser 308 | - | expression tag |
| Glu 309 | - | expression tag |
| Glu 310 | - | expression tag |
| Asp 311 | - | expression tag |
| Leu 312 | - | expression tag |
| Asn 313 | - | expression tag |
| Ser 314 | - | expression tag |
| Ala 315 | - | expression tag |
| Val 316 | - | expression tag |
| Asp 317 | - | expression tag |
| His 318 | - | expression tag |
| His 319 | - | expression tag |
| His 320 | - | expression tag |
| His 321 | - | expression tag |
| His 322 | - | expression tag |
| His 323 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75863.0 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1273.2 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1316.1 | |
| All* | Total formula weight | 78452.3 |
