9GUC
Adhiron-mediated Identification of a Novel and Selective Allosteric Pocket in Aurora Kinase A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Aurora kinase A | polymer | 285 | 32884.7 | 1 | UniProt (O14965) Pfam (PF00069) | Homo sapiens (human) | Aurora 2,Aurora/IPL1-related kinase 1,ARK-1,Aurora-related kinase 1,Breast tumor-amplified kinase,Ipl1- and aurora-related kinase 1,Serine/threonine-protein kinase 15,Serine/threonine-protein kinase 6,Serine/threonine-protein kinase Ayk1,Serine/threonine-protein kinase aurora-A |
| 2 | B (B) | Affimer (JR-Aff7) | polymer | 100 | 11779.5 | 1 | synthetic construct | ||
| 3 | C (A) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 1 | Chemie (ADP) | |||
| 4 | D (A) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) PubChem (23831) | |||
| 5 | E (A) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 1 | Chemie (AMP) PubChem (224) PubChem (34768) PubChem (83862) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (5316444) PubChem (5742864) PubChem (12163610) PubChem (12358355) PubChem (16397049) PubChem (16760266) PubChem (40467049) PubChem (40469468) PubChem (44348067) PubChem (45358029) PubChem (46874558) PubChem (40459109) PubChem (46875232) PubChem (177678969) PubChem (6083) PubChem (1549371) PubChem (92144436) PubChem (57358045) PubChem (57879893) PubChem (57879902) PubChem (12358354) PubChem (122197642) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 6 | F (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 7 | G, H (A, B) | water | water | 18.0 | 95 | Chemie (HOH) |
Sequence modifications
A: 122 - 403 (UniProt: O14965)
| PDB | External Database | Details |
|---|---|---|
| Gly 119 | - | expression tag |
| Ala 120 | - | expression tag |
| Met 121 | - | expression tag |
| Ala 290 | Cys 290 | engineered mutation |
| Ala 393 | Cys 393 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 44664.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1037.0 | |
| All* | Total formula weight | 45701.1 |
