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MolNFT v1 · #184425 · protein

RAB27A fusion with SLP2A-RBDA1 effector covalent adduct with CA1 in C188

7OPQ · Synaptotagmin-like protein 2,RAS-related protein rab-27A: “RAB27A fusion with SLP2A-RBDA1 effector covalent adduct with CA1 in C188”. X-ray diffraction, 3 ligands (06D, GNP, MG), 4 pockets (best druggability 0.72). MolNFT v1 #184425…

PDB
7OPQ
Type
protein
Length
416 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Synaptotagmin-like protein 2,RAS-related protein rab-27A
EC
3.6.5.2
UniProt
Q9HCH5, P51159
Ligands
06D, GNP, MG
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASynaptotagmin-like protein 2,RAS-related protein rab-27A (EC 3.6.5.2)protein21242% helix, 22% strandQ9HCH5, P51159
BSynaptotagmin-like protein 2,RAS-related protein rab-27A (EC 3.6.5.2)protein20444% helix, 23% strandQ9HCH5, P51159

Ligands and binding sites

  • 06D · 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one · ligand · 2 copies · chains A, B
  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 8 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1640.720.9717GOL
22330.580.7938GNP, MG, GOL
32200.560.7938GNP, MG, GOL
43280.550.753406D

Interfaces

1 interface between chains.

  • A–B · 1415 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 7OPQ · Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 · the same entry in another collection · chain A against A, TM-score 1.00
  • P51159 · AlphaFold monomer V2.0 prediction for RAS-related protein rab-27A (P51159) · a predicted model of the same protein · chain B against A, TM-score 0.86
  • Q9HCH5 · AlphaFold monomer V2.0 prediction for synaptotagmin-like protein 2 (Q9HCH5) · a predicted model of the same protein · chain B against A, TM-score 0.28

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