6ED6
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Rho-associated protein kinase 2 | polymer | 415 | 48059.5 | 2 | UniProt (O75116) Pfam (PF00069) In PDB | Homo sapiens (Human) | Rho kinase 2,Rho-associated,coiled-coil-containing protein kinase 2,coiled-coil-containing protein kinase II,ROCK-II,p164 ROCK-2 |
2 | A, B | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide | non-polymer | 346.4 | 2 | Chemie (J0P) | |||
3 | water | water | 18.0 | 110 | Chemie (HOH) |
Sequence modifications
A, B: 27 - 417 (UniProt: O75116)
PDB | External Database | Details |
---|---|---|
Met 3 | - | expression tag |
Ser 4 | - | expression tag |
Tyr 5 | - | expression tag |
Tyr 6 | - | expression tag |
His 7 | - | expression tag |
His 8 | - | expression tag |
His 9 | - | expression tag |
His 10 | - | expression tag |
His 11 | - | expression tag |
His 12 | - | expression tag |
Asp 13 | - | expression tag |
Tyr 14 | - | expression tag |
Asp 15 | - | expression tag |
Ile 16 | - | expression tag |
Pro 17 | - | expression tag |
Thr 18 | - | expression tag |
Thr 19 | - | expression tag |
Glu 20 | - | expression tag |
Asn 21 | - | expression tag |
Leu 22 | - | expression tag |
Tyr 23 | - | expression tag |
Phe 24 | - | expression tag |
Gln 25 | - | expression tag |
Gly 26 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 96118.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 692.8 | |
All* | Total formula weight | 96811.7 |