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MolNFT v1 · #116579 · protein

Crystal structure of ARL13B in complex with ARL3 of chlamydomonas reinhardtii

5DI3 · ADP-ribosylation factor-like protein 13B: “Crystal structure of ARL13B in complex with ARL3 of chlamydomonas reinhardtii”. X-ray diffraction, 2 ligands (GNP, MG), 5 pockets (best druggability 0.57). MolNFT v1 #116579 on GenesisL1…

PDB
5DI3
Type
protein
Length
368 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor-like protein 13B; ADP-ribosylation factor-like protein 3
UniProt
A8INQ0, A8ISN6
Ligands
GNP, MG
Pockets
5 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BADP-ribosylation factor-like protein 13Bprotein20441% helix, 20% strandA8INQ0
AADP-ribosylation factor-like protein 3protein16434% helix, 26% strandA8ISN6

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.570.8331empty
21030.460.8023GNP, MG
31220.440.7726GNP, MG
4890.390.7717empty
5550.350.789empty

Interfaces

1 interface between chains.

  • B–A · 1043 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 5DI3 · Crystal structure of Arl13B in complex with Arl3 of Chlamydomonas reinhardtii · the same entry in another collection · chain B against B, TM-score 1.00
  • A8INQ0 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-like protein 13B (A8INQ0) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • A8ISN6 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor-like protein 3 (A8ISN6) · a predicted model of the same protein · chain A against A, TM-score 0.95

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