GL1X · GenesisL1 explorer

MolNFT v1 · #167692 · protein

Mycobacterium tuberculosis dihydrofolate reductase in complex with 4- (3,4-dihydro-2H-BENZO[B][1,4]DIOXEPIN-7-yl)-4-oxobutanoic ACID(FRAGMENT 16)

6VSF: “Mycobacterium tuberculosis dihydrofolate reductase in complex with 4…”. X-ray diffraction, 4 ligands (RKY, NAP, CO). MolNFT v1 #167692 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VSF
Type
protein
Length
318 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P9WNX1
Ligands
RKY, NAP, CO, PO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein159—P9WNX1

Ligands and binding sites

  • RKY · 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid · ligand · 3 copies · chains A, B
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
  • CO · Cobalt (II) ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Compared structures

  • 6VSF · Mycobacterium tuberculosis dihydrofolate reductase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WNX1 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P9WNX1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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