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Crystal structure of a putative mutarotase (yead) from salmonella typhimurium in monoclinic form

Analyse Crystal structure of a putative mutarotase (yead) from salmonella typhimurium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2HTB
Type
protein
Length
1,183 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative enzyme related to aldose 1-epimerase
EC
5.1.3.-
UniProt
Q8ZPV9
Pockets
7 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, DPutative enzyme related to aldose 1-epimerase (EC 5.1.3.-)protein2969% helix, 49% strandQ8ZPV9
CPutative enzyme related to aldose 1-epimerase (EC 5.1.3.-)protein2959% helix, 51% strandQ8ZPV9

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110820.820.8387empty
22960.530.7448empty
33010.520.7445empty
41170.430.7721empty
51230.430.7625empty

Interfaces

4 interfaces between chains.

  • A–C · 626 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 508 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 504 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 141 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2HTB · Crystal Structure of a putative mutarotase (YeaD) from Salmonella typhimurium in… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZPV9 · AlphaFold monomer V2.0 prediction for putative glucose-6-phosphate 1-epimerase (Q8ZPV9) · a predicted model of the same protein · chain C against A, TM-score 0.99

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