8RD5
Crystal structure of Kemp Eliminase HG3.R5 with bound 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, B (A, B) | Endo-1,4-beta-xylanase | polymer | 318 | 34314.5 | 2 | UniProt (P23360) Pfam (PF00331) | Thermoascus aurantiacus | |
| 2 | C, H (A, B) | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 2 | Chemie (6NT) | |||
| 3 | D, E, F, G, I... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 4 | L (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 507 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 303 (UniProt: P23360)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | initiating methionine |
| Ala 0 | - | expression tag |
| Glu 1 | Gln 27 | engineered mutation |
| Met 10 | Ile 36 | engineered mutation |
| Met 42 | Gln 68 | engineered mutation |
| Trp 44 | Thr 70 | engineered mutation |
| Leu 49 | Met 75 | engineered mutation |
| Gln 50 | Lys 76 | engineered mutation |
| Val 54 | Thr 80 | engineered mutation |
| Val 69 | Leu 95 | engineered mutation |
| Gly 81 | Arg 107 | engineered mutation |
| Gly 83 | His 109 | engineered mutation |
| Met 84 | Thr 110 | engineered mutation |
| His 90 | Gln 116 | engineered mutation |
| Glu 102 | Asn 128 | engineered mutation |
| Val 125 | Ala 151 | engineered mutation |
| Gly 130 | Asn 156 | engineered mutation |
| Ser 131 | Glu 157 | engineered mutation |
| Lys 154 | Pro 180 | engineered mutation |
| Ala 172 | Asn 198 | engineered mutation |
| Ser 174 | Tyr 200 | engineered mutation |
| Lys 190 | Arg 216 | engineered mutation |
| Met 207 | Gln 233 | engineered mutation |
| Asn 209 | His 235 | engineered mutation |
| Ser 234 | Ala 260 | engineered mutation |
| Leu 236 | Thr 262 | engineered mutation |
| Met 237 | Glu 263 | engineered mutation |
| Ser 266 | Val 292 | engineered mutation |
| Phe 267 | Trp 293 | engineered mutation |
| Gly 304 | - | expression tag |
| Ser 305 | - | expression tag |
| Ile 306 | - | expression tag |
| Glu 307 | - | expression tag |
| Gly 308 | - | expression tag |
| Arg 309 | - | expression tag |
| Gly 310 | - | expression tag |
| His 311 | - | expression tag |
| His 312 | - | expression tag |
| His 313 | - | expression tag |
| His 314 | - | expression tag |
| His 315 | - | expression tag |
| His 316 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68629.1 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1031.9 | |
| All* | Total formula weight | 69661.0 |
