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Crystal structure of the putative glyoxylate induced protein from pseudomonas aeruginosa, northeast structural genomics target PAR14

Analyse Crystal structure of the putative glyoxylate induced protein from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1SQ4
Type
protein
Length
537 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glyoxylate-induced protein
UniProt
Q9I4J5
Ligands
SCN
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlyoxylate-induced proteinprotein2704% helix, 46% strandQ9I4J5
BGlyoxylate-induced proteinprotein2674% helix, 45% strandQ9I4J5

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 4 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12020.490.7529empty

Interfaces

1 interface between chains.

  • A–B · 487 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 1SQ4 · Crystal Structure of the Putative Glyoxylate Induced Protein from Pseudomonas aeruginosa… · the same entry in another collection · chain A against A, TM-score 1.00

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