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MolNFT v1 · #15102 · protein

Structure of muconate lactonizing enzyme at 1.85 ångströms resolution

1MUC: “Structure of muconate lactonizing enzyme at 1.85 ångströms resolution”. X-ray diffraction, 1 ligand (MN), 2 pockets (best druggability 0.82). MolNFT v1 #15102 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1MUC
Type
protein
Length
720 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Muconate lactonizing enzyme
EC
5.5.1.1
UniProt
P08310
Ligands
MN
Pockets
2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMuconate lactonizing enzyme (EC 5.5.1.1)protein36043% helix, 22% strandP08310

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 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
19820.820.83109empty
22020.580.8033empty

Interfaces

1 interface between chains.

  • A–B · 913 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1MUC · Structure of muconate lactonizing enzyme at 1.85 ångströms resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P08310 · AlphaFold monomer V2.0 prediction for muconate cycloisomerase 1 (P08310) · a predicted model of the same protein · chain A against A, TM-score 1.00

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