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MolNFT v1 · #134287 · protein

Structure of human N-terminally engineered RAB1B in complex with the bmerb domain of mical-cl

5SZK · Mical C-terminal-like protein: “Structure of human N-terminally engineered RAB1B in complex with the bmerb domain of mical-cl”. X-ray diffraction, 2 ligands (GNP, MG), 1 pocket (best druggability 0.77). MolNFT v1 #134287 on…

PDB
5SZK
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mical C-terminal-like protein; RAS-related protein rab-1B
UniProt
Q6ZW33, Q9H0U4
Ligands
GNP, MG
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMical C-terminal-like proteinprotein14085% helix, 0% strandQ6ZW33
BRAS-related protein rab-1Bprotein17334% helix, 27% strandQ9H0U4

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains B
  • MG · Magnesium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19310.770.7984MG, GNP

Interfaces

1 interface between chains.

  • A–B · 923 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5SZK · Structure of human N-terminally engineered Rab1b in complex with the bMERB domain of… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H0U4 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-1B (Q9H0U4) · a predicted model of the same protein · chain B against A, TM-score 0.97

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