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MolNFT v1 · #115489 · protein

Structure of pure (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium acetobacter aceti, at pH 8.5

5CLF: “Structure of pure (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic bacterium acetobacter…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.31). MolNFT v1 #115489 on GenesisL1: 3D structure…

PDB
5CLF
Type
protein
Length
323 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N5-carboxyaminoimidazole ribonucleotide mutase
EC
5.4.99.18
UniProt
A0A063X4U8
Ligands
SO4
Pockets
2 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AN5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18)protein16046% helix, 16% strandA0A063X4U8
BN5-carboxyaminoimidazole ribonucleotide mutase (EC 5.4.99.18)protein16345% helix, 15% strandA0A063X4U8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
  • ACT · Acetate ion · additive · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1580.310.7516empty
2780.300.7317empty

Interfaces

1 interface between chains.

  • A–B · 1707 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 5CLF · Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) from the acidophilic… · the same entry in another collection · chain A against A, TM-score 1.00

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