7K4U
Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endo-1,4-beta-xylanase | polymer | 307 | 33071.2 | 1 | UniProt (P23360) Pfam (PF00331) | Thermoascus aurantiacus | Xylanase,1,4-beta-D-xylan xylanohydrolase,TAXI |
| 2 | B (A) | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 1 | Chemie (6NT) | |||
| 3 | C (A) | water | water | 18.0 | 278 | Chemie (HOH) |
Sequence modifications
A: 2 - 302 (UniProt: P23360)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Ser -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Met -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Glu 1 | - | expression tag |
| Met 42 | Gln 68 | conflict |
| Trp 44 | Thr 70 | conflict |
| Gln 50 | Lys 76 | engineered mutation |
| Gly 81 | Arg 107 | conflict |
| Gly 83 | His 109 | conflict |
| Met 84 | Thr 110 | conflict |
| Gly 130 | Asn 156 | conflict |
| Met 172 | Asn 198 | conflict |
| Ser 234 | Ala 260 | conflict |
| Leu 236 | Thr 262 | conflict |
| Met 237 | Glu 263 | conflict |
| Phe 267 | Trp 293 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33071.2 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 164.1 | |
| All* | Total formula weight | 33235.3 |
