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

Analyse NMR data-driven model of KRAS-GMPPNP:RBD-crd complex tethered to a nanodisc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PTW
Type
protein
Length
713 residues
Chains
4
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P02647, P01116, P04049
Ligands
PCW, 17F, GNP, ZN, MG

Structure

solution nmr · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein198—P02647
B—protein185—P01116
D—protein132—P04049

Ligands and binding sites

  • PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 64 copies · chains A, C, D, B
  • 17F · O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine · ligand · 16 copies · chains 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.

Compared structures

  • 6PTW · NMR data-driven model of KRas-GMPPNP:RBD-CRD complex tethered to a nanodisc (state B) · the same entry in another collection · chain B against B, 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 0.59
  • 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 0.53

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