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Crystal structure of dihydrodipicolinate synthase from mycobacterium tuberculosis in complex with alpha-ketopimelic acid

Analyse Crystal structure of dihydrodipicolinate synthase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J5D
Type
protein
Length
297 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4-hydroxy-tetrahydrodipicolinate synthase
EC
4.3.3.7
UniProt
P9WP25
Ligands
6GT, NA
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4-hydroxy-tetrahydrodipicolinate synthase (EC 4.3.3.7)protein29752% helix, 13% strandP9WP25

Ligands and binding sites

  • 6GT · 2-oxoheptanedioic acid · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.620.80486GT

Compared structures

  • 5J5D · Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WP25 · AlphaFold monomer V2.0 prediction for 4-hydroxy- tetrahydrodipicolinate synthase (P9WP25) · a predicted model of the same protein · chain A against A, TM-score 1.00

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