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Crystal structure of putative bacterial protein of unknown function (DUF885, PF05960.1, ) from arthrobacter aurescens TC1, reveals fold similar to that of M32 carboxypeptidases

Analyse Crystal structure of putative bacterial protein of unknown function (DUF885… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IUK
Type
protein
Length
1,102 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
A1R4M8
Ligands
MG
Pockets
11 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein55265% helix, 5% strandA1R4M8
BUncharacterized proteinprotein55066% helix, 5% strandA1R4M8

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110980.780.8071empty
211340.780.8072empty
35660.630.7543empty
44480.600.7530MG
54410.590.7543empty

Interfaces

1 interface between chains.

  • A–B · 253 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified (engineered).

Compared structures

  • 3IUK · Crystal structure of putative bacterial protein of unknown function (DUF885, PF05960.1, )… · the same entry in another collection · chain A against A, TM-score 1.00

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