4BS0
Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with 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 | KEMP ELIMINASE HG3.17 | polymer | 318 | 34461.8 | 2 | UniProt (P23360) Pfam (PF00331) In PDB | THERMOASCUS AURANTIACUS | ENDO-1,4-BETA-XYLANASE, XYLANASE, 1\,4-BETA-D-XYLAN XYLANOHYDROLASE |
| 2 | A, B | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | A, B | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 2 | Chemie (6NT) | |||
| 4 | water | water | 18.0 | 832 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 303 (UniProt: P23360)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | expression tag |
| Ala 0 | - | expression tag |
| Glu 1 | - | expression tag |
| 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 |
| Ile 6 | Val 32 | engineered mutation |
| Lys 37 | Gln 63 | engineered mutation |
| Met 42 | Gln 68 | engineered mutation |
| Trp 44 | Thr 70 | engineered mutation |
| Gln 50 | Lys 76 | engineered mutation |
| Gly 81 | Arg 107 | engineered mutation |
| Ala 82 | Gly 108 | engineered mutation |
| Gly 83 | His 109 | engineered mutation |
| Cys 84 | Thr 110 | engineered mutation |
| Asn 89 | Ser 115 | engineered mutation |
| Phe 90 | Gln 116 | engineered mutation |
| Ile 105 | Thr 131 | engineered mutation |
| Thr 125 | Ala 151 | engineered mutation |
| Gly 130 | Asn 156 | engineered mutation |
| Asn 142 | Thr 168 | engineered mutation |
| Met 172 | Asn 198 | engineered mutation |
| Met 208 | Thr 234 | engineered mutation |
| Ser 234 | Ala 260 | engineered mutation |
| Leu 236 | Thr 262 | engineered mutation |
| Met 237 | Glu 263 | engineered mutation |
| Met 267 | Trp 293 | engineered mutation |
| Ala 275 | Trp 301 | engineered mutation |
| Phe 276 | Arg 302 | engineered mutation |
| Ser 279 | Thr 305 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68923.6 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 712.5 | |
| All* | Total formula weight | 69636.1 |
