NMR data-driven model of KRAS-GMPPNP:RBD-crd complex tethered to a nanodisc (state a)

Structure

solution nmr · 3 distinct chains · 55% helix, 15% strand (DSSP).

Ligands and binding sites

• PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 64 copies · chains A, B, C, D
• 17F · O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine · ligand · 16 copies · chains B, A, C, D
• GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains B
• ZN · Zinc ion · metal · 2 copies · chains D
• MG · Magnesium ion · metal · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

4 interfaces between chains.

• A–C · 3709 Ų buried · 67 hydrogen bonds · protein-protein
• B–D · 1151 Ų buried · 19 hydrogen bonds · protein-protein
• A–B · 259 Ų buried · 6 hydrogen bonds · protein-protein
• C–B · 31 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 6PTS · NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state A) · the same entry in another collection · chain A against A, TM-score 1.00
• P02647 · AlphaFold monomer V2.0 prediction for apolipoprotein a-I (P02647) · a predicted model of the same protein · chain A against A, TM-score 0.58
• P04049 · AlphaFold monomer V2.0 prediction for RAF proto-oncogene SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain D against A, TM-score 0.56

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P02647
• Every structure of UniProt P01116
• Every structure of UniProt P04049
• Elsewhere: RCSB PDB 6PTS · PDBe 6PTS · UniProt P02647 · UniProt P01116 · UniProt P04049