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MolNFT v1 · #102872 · protein

Structure of the branched intermediate in protein splicing

4OZ6 · Mxe gyra intein: “Structure of the branched intermediate in protein splicing”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.27). MolNFT v1 #102872 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4OZ6
Type
protein
Length
176 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mxe gyra intein; Ala-met-arg-tyr
EC
5.99.1.3
UniProt
P72065
Ligands
MG
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMxe gyra intein (EC 5.99.1.3)protein1724% helix, 51% strandP72065
BAla-met-arg-tyr (EC 5.99.1.3)protein40% helix, 0% strandP72065

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.270.7320empty

Interfaces

1 interface between chains.

  • A–B · 232 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 4OZ6 · Structure of the Branched Intermediate in Protein Splicing · the same entry in another collection · chain A against A, TM-score 1.00
  • P72065 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit a (P72065) · a predicted model of the same protein · chain B against A, TM-score 0.98

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