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MolNFT v1 · #37792 · protein

Crystal structure of the human rhoc-gppnhp complex

2GCO · Rho-related GTP-binding protein rhoc: “Crystal structure of the human rhoc-gppnhp complex”. X-ray diffraction, 2 ligands (GNP, MG), 4 pockets (best druggability 0.57). MolNFT v1 #37792 on GenesisL1: 3D structure, binding sites and…

PDB
2GCO
Type
protein
Length
370 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rho-related GTP-binding protein rhoc
UniProt
P08134
Ligands
GNP, MG
Pockets
4 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARho-related GTP-binding protein rhocprotein18837% helix, 21% strandP08134
BRho-related GTP-binding protein rhocprotein18238% helix, 22% strandP08134

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.570.8422empty
22060.470.7436empty
31220.410.7526MG, GNP
4910.380.7627MG, GNP

Interfaces

1 interface between chains.

  • A–B · 394 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 2GCO · Crystal structure of the human RhoC-GppNHp complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P08134 · AlphaFold monomer V2.0 prediction for rho-related GTP-binding protein rhoc (P08134) · a predicted model of the same protein · chain B against A, TM-score 0.93

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