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MolNFT v1 · #179694 · protein

The complex between rhod and the plexin B2 rbd

7KDC · Rho-related GTP-binding protein rhod: “The complex between rhod and the plexin B2 rbd”. X-ray diffraction, 2 ligands (GNP, MG), 2 pockets (best druggability 0.55). MolNFT v1 #179694 on GenesisL1: 3D structure, binding sites and…

PDB
7KDC
Type
protein
Length
566 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rho-related GTP-binding protein rhod; Plexin-B2
UniProt
O00212, B2RXS4
Ligands
GNP, MG
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRho-related GTP-binding protein rhodprotein18042% helix, 26% strandO00212
C, DPlexin-B2protein10315% helix, 28% strandB2RXS4

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 4 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.550.8231GNP, MG
21300.530.8130GNP, MG

Interfaces

3 interfaces between chains.

  • C–D · 2358 Ų buried · 39 hydrogen bonds · protein-protein
  • B–D · 715 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 707 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7KDC · The complex between RhoD and the Plexin B2 RBD · the same entry in another collection · chain A against A, TM-score 1.00
  • O00212 · AlphaFold monomer V2.0 prediction for rho-related GTP-binding protein rhod (O00212) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • B2RXS4 · AlphaFold monomer V2.0 prediction for plexin-B2 (B2RXS4) · a predicted model of the same protein · chain C against A, TM-score 0.54

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