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Crystal structure of D-cycloserine-bound form of cysteine desulfurase nifs from helicobacter pylori

Analyse Crystal structure of D-cycloserine-bound form of cysteine desulfurase nifs from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7CET
Type
protein
Length
359 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine desulfurase iscs
EC
2.8.1.7
UniProt
O25008
Ligands
7TS, CL
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine desulfurase iscs (EC 2.8.1.7)protein35942% helix, 15% strandO25008

Ligands and binding sites

  • 7TS · (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • IPA · Isopropyl alcohol · additive · chains A

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
1510.440.84167TS

Compared structures

  • 7CET · Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from… · the same entry in another collection · chain A against A, TM-score 1.00
  • O25008 · AlphaFold monomer V2.0 prediction for cysteine desulfurase iscs (O25008) · a predicted model of the same protein · chain A against A, TM-score 0.99

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