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Monobody 12VC1 bound to HRAS(G12C)

Analyse Monobody 12VC1 bound to HRAS(G12C) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7L0G
Type
protein
Length
1,034 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase HRAS; Monobody 12VC1
EC
3.6.5.2
UniProt
P01112
Ligands
GSP, MG
Pockets
12 · best druggability 0.88

Structure

x-ray diffraction · 4 distinct chains · 24% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, GGTPase HRAS (EC 3.6.5.2)protein16637% helix, 27% strandP01112
C, D, FMonobody 12VC1protein930% helix, 55% strand—
EGTPase HRAS (EC 3.6.5.2)protein16537% helix, 25% strandP01112
HMonobody 12VC1protein920% helix, 58% strand—

Ligands and binding sites

  • GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 4 copies · chains A, C, B, D, E, F, G, H
  • MG · Magnesium ion · metal · 4 copies · chains A, B, E, G

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110610.880.90130GSP, MG
27280.770.8278GSP, MG
33020.720.8552GSP, MG
43870.700.8266empty
52470.700.8646GSP, MG

Interfaces

12 interfaces between chains.

  • A–C · 924 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 909 Ų buried · 14 hydrogen bonds · protein-protein
  • G–H · 896 Ų buried · 10 hydrogen bonds · protein-protein
  • E–F · 893 Ų buried · 11 hydrogen bonds · protein-protein
  • B–G · 791 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 7L0G · Monobody 12VC1 Bound to HRAS(G12C) · the same entry in another collection · chain A against A, TM-score 1.00

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