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MolNFT v1 · #24845 · protein

Crystal structure of human glcat-P in complex with udp and MN2+

1V83 · Galactosylgalactosylxylosylprotein 3-beta…: “Crystal structure of human glcat-P in complex with udp and MN2+”. X-ray diffraction, 2 ligands (UDP, MN), 4 pockets (best druggability 0.65). MolNFT v1 #24845 on GenesisL1: 3D structure…

PDB
1V83
Type
protein
Length
486 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galactosylgalactosylxylosylprotein 3-beta- glucuronosyltransferase 1
EC
2.4.1.135
UniProt
Q9P2W7
Ligands
UDP, MN
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGalactosylgalactosylxylosylprotein 3-beta- glucuronosyltransferase 1 (EC 2.4.1.135)protein24530% helix, 22% strandQ9P2W7
BGalactosylgalactosylxylosylprotein 3-beta- glucuronosyltransferase 1 (EC 2.4.1.135)protein24130% helix, 22% strandQ9P2W7

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • TLA · L(+)-tartaric acid · additive · 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
14410.650.7846MN, UDP
24490.630.7747MN, UDP
32070.540.7822empty
41740.530.7921empty

Interfaces

1 interface between chains.

  • A–B · 2090 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 1V83 · Crystal structure of human GlcAT-P in complex with Udp and Mn2+ · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9P2W7 · AlphaFold monomer V2.0 prediction for galactosylgalactosylxylosylprotein… · a predicted model of the same protein · chain B against A, TM-score 1.00

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