9T0T
Crystal Structure of the correct enantiomer bound to the PH domain of Btk
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, C, G, J) | Tyrosine-protein kinase BTK | polymer | 169 | 19966.9 | 4 | UniProt (Q06187) Pfam (PF00169) Pfam (PF00779) | Homo sapiens (human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
| 2 | E (A) | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4-oxidanylidene-6,7-dihydro-5~{H}-1-benzofuran-3-carboxylic acid | non-polymer | 369.6 | 1 | Chemie (A1JS1) | |||
| 3 | F, G, J, M, P (A, C, G, J) | (6~{R})-6-(2-bromanyl-6-chloranyl-phenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid | non-polymer | 355.6 | 5 | Chemie (A1JS0) | |||
| 4 | H, K, O, Q (A, C, G, J) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) PubChem (888) | |||
| 5 | I, L, N, R (A, C, G, J) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) PubChem (32051) | |||
| 6 | S, T, U, V (A, C, G, J) | water | water | 18.0 | 265 | Chemie (HOH) |
Sequence modifications
A, C, G, J: 2 - 170 (UniProt: Q06187)
| PDB | External Database | Details |
|---|---|---|
| Ser 145 | Cys 179 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 79867.8 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2506.5 | |
| All* | Total formula weight | 82374.3 |
