5OCT
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
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, E... | GTPase KRas | polymer | 187 | 21498.2 | 6 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A, B, C, D, E... | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 6 | Chemie (GNP) | |||
3 | F, A, B, C, D... | [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine | non-polymer | 199.6 | 9 | Chemie (9R5) | |||
4 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
5 | F, A, B, C, D... | MAGNESIUM ION | non-polymer | 24.3 | 6 | Chemie (MG) | |||
6 | F | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
7 | water | water | 18.0 | 370 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 169 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Met -17 | - | initiating methionine |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
Ser -10 | - | expression tag |
Ser -9 | - | expression tag |
Gly -8 | - | expression tag |
Arg -7 | - | expression tag |
Glu -6 | - | expression tag |
Asn -5 | - | expression tag |
Leu -4 | - | expression tag |
Tyr -3 | - | expression tag |
Phe -2 | - | expression tag |
Gln -1 | - | expression tag |
Gly 0 | - | expression tag |
His 61 | Gln 61 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 6 |
Total formula weight | 128989.0 | |
Non-Polymers* | Number of molecules | 23 |
Total formula weight | 5260.0 | |
All* | Total formula weight | 134248.9 |