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Crystal structure of uncharacterized conserved protein from thermotoga maritima

Analyse Crystal structure of uncharacterized conserved protein from thermotoga maritima in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2YZO
Type
protein
Length
447 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable 2-phosphosulfolactate phosphatase
EC
3.1.3.71
UniProt
Q9WZQ4
Ligands
MLT
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable 2-phosphosulfolactate phosphatase (EC 3.1.3.71)protein22339% helix, 22% strandQ9WZQ4
BProbable 2-phosphosulfolactate phosphatase (EC 3.1.3.71)protein22439% helix, 23% strandQ9WZQ4

Ligands and binding sites

  • MLT · D-malate · ligand · 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
12650.710.8650MLT
21670.650.8639MLT

Interfaces

1 interface between chains.

  • A–B · 1152 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2YZO · Crystal structure of uncharacterized conserved protein from Thermotoga maritima · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9WZQ4 · AlphaFold monomer V2.0 prediction for probable 2-phosphosulfolactate phosphatase (Q9WZQ4) · a predicted model of the same protein · chain B against A, TM-score 0.99

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