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Crystal structure of TNMS3 in complex with riboflavin

Analyse Crystal structure of TNMS3 in complex with riboflavin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UMX
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GLYOXALASE/BLEOMYCIN resisance PROTEIN/DIOXYGENASE
UniProt
A0A125SA29
Ligands
RBF
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGLYOXALASE/BLEOMYCIN resisance PROTEIN/DIOXYGENASEprotein12117% helix, 41% strandA0A125SA29

Ligands and binding sites

  • RBF · Riboflavin · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12830.570.7727RBF
22570.550.7731RBF

Interfaces

1 interface between chains.

  • A–B · 1886 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 5UMX · Crystal structure of TnmS3 in complex with riboflavin · the same entry in another collection · chain A against A, TM-score 1.00

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