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MolNFT v1 · #160261 · protein

Crystal structure of ts-DHFR from cryptosporidium hominis in complex with NADPH, fdump and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-PYRROLO[2, 3-D]PYRIMIDIN-5-YL)METHYL)BENZAMIDO)METHYL)BENZOIC acid.

6PFA: “Crystal structure of ts-DHFR from cryptosporidium hominis in complex with NADPH, fdump and…”. X-ray diffraction, 4 ligands (NDP, UFP, OF4). MolNFT v1 #160261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6PFA
Type
protein
Length
2,534 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A0A0S4TER9
Ligands
NDP, UFP, OF4, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, E—protein507—A0A0S4TER9
C—protein506—A0A0S4TER9

Ligands and binding sites

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 5 copies · chains A, B, C, D, E
  • UFP · 5-fluoro-2'-deoxyuridine-5'-monophosphate · ligand · 5 copies · chains A, B, C, D, E
  • OF4 · 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino) methyl]benzoic acid · ligand · 5 copies · chains A, B, C, D, E
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D, E

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

Compared structures

  • 6PFA · Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP… · the same entry in another collection · chain A against A, TM-score 1.00

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