6NW4
Evolution of a computationally designed Kemp eliminase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Indole-3-glycerol phosphate synthase | polymer | 247 | 28523.9 | 1 | UniProt (Q06121) Pfam (PF00218) | Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) | IGPS |
| 2 | B, C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | F (A) | 6-NITROBENZOTRIAZOLE | non-polymer | 164.1 | 1 | Chemie (6NT) | |||
| 4 | G (A) | water | water | 18.0 | 21 | Chemie (HOH) |
Sequence modifications
A: 2 - 248 (UniProt: Q06121)
| PDB | External Database | Details |
|---|---|---|
| Ala 51 | Glu 51 | conflict |
| Arg 53 | Lys 53 | conflict |
| Cys 58 | Ser 58 | conflict |
| Ala 81 | Ser 81 | conflict |
| Ala 83 | Leu 83 | conflict |
| Trp 110 | Lys 110 | conflict |
| Ala 131 | Leu 131 | conflict |
| Tyr 157 | Leu 157 | conflict |
| Val 159 | Glu 159 | conflict |
| Glu 178 | Gly 178 | conflict |
| Cys 180 | Asn 180 | conflict |
| Phe 184 | Leu 184 | conflict |
| Trp 210 | Glu 210 | conflict |
| Gly 211 | Ser 211 | conflict |
| Gly 231 | Leu 231 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28523.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 548.4 | |
| All* | Total formula weight | 29072.3 |
