7K4X
Crystal structure of Kemp Eliminase HG3.7 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, B (A, B) | Endo-1,4-beta-xylanase | polymer | 308 | 33309.5 | 2 | UniProt (P23360) Pfam (PF00331) | Thermoascus aurantiacus | Xylanase,1,4-beta-D-xylan xylanohydrolase,TAXI |
| 2 | C, K (A, B) | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 2 | Chemie (6NT) | |||
| 3 | D, E, F, L (A, B) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 4 | G, H, I, J, M... (A, B) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 5 | O, P (A, B) | water | water | 18.0 | 512 | Chemie (HOH) |
Sequence modifications
A, B: 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 | engineered mutation |
| Gly 81 | Arg 107 | conflict |
| Gly 83 | His 109 | conflict |
| Cys 84 | Thr 110 | conflict |
| Arg 89 | Ser 115 | conflict |
| His 90 | Gln 116 | conflict |
| Asn 125 | Ala 151 | 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 | 2 |
| Total formula weight | 66619.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1140.8 | |
| All* | Total formula weight | 67759.8 |
