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 | Endo-1,4-beta-xylanase | polymer | 318 | 34314.5 | 2 | UniProt (P23360) Pfam (PF00331) In PDB | Thermoascus aurantiacus | |
2 | A, B | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 2 | Chemie (6NT) | |||
3 | A, B | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
4 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
5 | 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 |