7THN
Crystal structure of PigI trapped with PigG using a proline adenosine vinylsulfonamide inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B | L-proline--[L-prolyl-carrier protein] ligase | polymer | 499 | 54823.8 | 1 | UniProt (Q5W263) Pfam (PF00501) Pfam (PF13193) In PDB | Serratia sp. ATCC 39006 | L-prolyl-AMP ligase |
2 | E | Probable acyl carrier protein PigG | polymer | 95 | 10689.0 | 1 | UniProt (Q5W265) In PDB | Serratia sp. ATCC 39006 | Peptidyl carrier protein,PCP |
3 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | B, E | AZIDE ION | non-polymer | 42.0 | 16 | Chemie (AZI) | |||
5 | B | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
6 | E | 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine | non-polymer | 765.8 | 1 | Chemie (I5M) | |||
7 | water | water | 18.0 | 620 | Chemie (HOH) |
Sequence modifications
B: 1 - 492 (UniProt: Q5W263)
E: 1 - 87 (UniProt: Q5W265)
PDB | External Database | Details |
---|---|---|
Leu 493 | - | expression tag |
Glu 494 | - | expression tag |
His 495 | - | expression tag |
His 496 | - | expression tag |
His 497 | - | expression tag |
His 498 | - | expression tag |
His 499 | - | expression tag |
His 500 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Trp 88 | - | expression tag |
Glu 89 | - | expression tag |
His 90 | - | expression tag |
His 91 | - | expression tag |
His 92 | - | expression tag |
His 93 | - | expression tag |
His 94 | - | expression tag |
His 95 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 65512.9 | |
Non-Polymers* | Number of molecules | 19 |
Total formula weight | 1554.5 | |
All* | Total formula weight | 67067.4 |