GL1X · GenesisL1 explorer

MolNFT v1 · #120188 · protein

Crystal structure of CASTOR1-arginine

5GS9 · Gats-like protein 3: “Crystal structure of CASTOR1-arginine”. X-ray diffraction, 1 ligand (ARG), 15 pockets (best druggability 0.79). MolNFT v1 #120188 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5GS9
Type
protein
Length
1,175 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gats-like protein 3
UniProt
Q8WTX7
Ligands
ARG
Pockets
15 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 29% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGats-like protein 3protein30929% helix, 31% strandQ8WTX7
BGats-like protein 3protein28631% helix, 34% strandQ8WTX7
CGats-like protein 3protein29428% helix, 32% strandQ8WTX7
DGats-like protein 3protein28628% helix, 34% strandQ8WTX7

Ligands and binding sites

  • ARG · Arginine · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111480.790.80103empty
2500.660.9622ARG
31540.480.7728empty
42220.460.7427empty
51390.430.7526empty

Interfaces

5 interfaces between chains.

  • C–D · 992 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 943 Ų buried · 16 hydrogen bonds · protein-protein
  • A–D · 758 Ų buried · 18 hydrogen bonds · protein-protein
  • B–C · 90 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 50 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • Q8WTX7 · AlphaFold monomer V2.0 prediction for cytosolic arginine sensor for MTORC1 subunit 1… · a predicted model of the same protein · chain B against A, TM-score 0.99

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