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MolNFT v1 · #168355 · protein

The external aldimine form of the salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. one of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the plp oxygen at the position 3 in the ring.

6WDU: “The external aldimine form of the salmonella thypi wild-type tryptophan synthase in open conformation showing…”. X-ray diffraction, 1 ligand (NA). MolNFT v1 #168355 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6WDU
Type
protein
Length
651 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00929, P0A2K1
Ligands
NA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein254—P00929
B—protein397—P0A2K1

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains B
  • DMS · Dimethyl sulfoxide · additive · 14 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains B

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

Compared structures

  • 6WDU · The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open… · the same entry in another collection · chain A against A, TM-score 1.00

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