5M4H
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Heat shock protein HSP 90-alpha | polymer | 252 | 28523.9 | 1 | UniProt (P07900) Pfam (PF13589) In PDB | Homo sapiens (Human) | Heat shock 86 kDa,HSP86,Lipopolysaccharide-associated protein 2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38 |
2 | A | [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone | non-polymer | 327.3 | 1 | Chemie (7FX) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
4 | water | water | 18.0 | 271 | Chemie (HOH) |
Sequence modifications
A: 9 - 236 (UniProt: P07900)
PDB | External Database | Details |
---|---|---|
Met -15 | - | initiating methionine |
Gly -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
Ser -3 | - | expression tag |
Ser -2 | - | expression tag |
Gly -1 | - | expression tag |
His 0 | - | expression tag |
Ile 1 | - | expression tag |
Asp 2 | - | expression tag |
Asp 3 | - | expression tag |
Ala 4 | - | expression tag |
Asp 5 | - | expression tag |
Lys 6 | - | expression tag |
His 7 | - | expression tag |
Met 8 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 28523.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 423.3 | |
All* | Total formula weight | 28947.2 |