6E9W
Crystal structure of Rock1 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 1 | polymer | 443 | 51455.0 | 2 | UniProt (Q13464) Pfam (PF00069) In PDB | Homo sapiens (Human) | Renal carcinoma antigen NY-REN-35,Rho-associated,coiled-coil-containing protein kinase 1,coiled-coil-containing protein kinase I,ROCK-I,p160 ROCK-1,p160ROCK |
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 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
4 | water | water | 18.0 | 173 | Chemie (HOH) |
Sequence modifications
A, B: 6 - 415 (UniProt: Q13464)
PDB | External Database | Details |
---|---|---|
Met -27 | - | expression tag |
Ser -26 | - | expression tag |
Tyr -25 | - | expression tag |
Tyr -24 | - | expression tag |
His -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
Asp -17 | - | expression tag |
Tyr -16 | - | expression tag |
Asp -15 | - | expression tag |
Ile -14 | - | expression tag |
Pro -13 | - | expression tag |
Thr -12 | - | expression tag |
Thr -11 | - | expression tag |
Glu -10 | - | expression tag |
Asn -9 | - | expression tag |
Leu -8 | - | expression tag |
Tyr -7 | - | expression tag |
Phe -6 | - | expression tag |
Gln -5 | - | expression tag |
Gly -4 | - | expression tag |
Ala -3 | - | expression tag |
Met -2 | - | expression tag |
Asp -1 | - | expression tag |
Pro 0 | - | expression tag |
Leu 1 | - | expression tag |
Val 2 | - | expression tag |
Pro 3 | - | expression tag |
Arg 4 | - | expression tag |
Gly 5 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 102910.0 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 788.8 | |
All* | Total formula weight | 103698.8 |