7K4Z
Crystal structure of Kemp Eliminase HG3.17 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 | 308 | 33176.4 | 1 | UniProt (P23360) Pfam (PF00331) | Thermoascus aurantiacus | Xylanase,1,4-beta-D-xylan xylanohydrolase,TAXI |
| 2 | B (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 3 | C (A) | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 1 | Chemie (6NT) | |||
| 4 | D (A) | water | water | 18.0 | 277 | Chemie (HOH) |
Sequence modifications
A: 2 - 303 (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 |
| Ile 6 | Val 32 | conflict |
| Lys 37 | Gln 63 | conflict |
| Met 42 | Gln 68 | conflict |
| Trp 44 | Thr 70 | conflict |
| Gln 50 | Lys 76 | conflict |
| Gly 81 | Arg 107 | conflict |
| Ala 82 | Gly 108 | conflict |
| Gly 83 | His 109 | conflict |
| Cys 84 | Thr 110 | conflict |
| Asn 89 | Ser 115 | conflict |
| Phe 90 | Gln 116 | conflict |
| Ile 105 | Thr 131 | conflict |
| Thr 125 | Ala 151 | conflict |
| Gly 130 | Asn 156 | conflict |
| Asn 142 | Thr 168 | conflict |
| Met 172 | Asn 198 | conflict |
| Met 208 | Thr 234 | conflict |
| Ser 234 | Ala 260 | conflict |
| Leu 236 | Thr 262 | conflict |
| Met 237 | Glu 263 | conflict |
| Met 267 | Trp 293 | conflict |
| Ala 275 | Trp 301 | conflict |
| Phe 276 | Arg 302 | conflict |
| Ser 279 | Thr 305 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33176.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 402.4 | |
| All* | Total formula weight | 33578.8 |
