MolNFT v1 · #188023 · protein

R-27 in complex with S. aureus DHFR and tricyclic-NADPH (tnadph)

7T7S: “R-27 in complex with S. aureus DHFR and tricyclic-NADPH (tnadph)”. X-ray diffraction, 2 ligands (XNP, 06U). MolNFT v1 #188023 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7T7S
Type: protein
Length: 157 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P0A017
Ligands: XNP, 06U

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	—	protein	157	—	P0A017

Ligands and binding sites

XNP · Tricyclic NADPH · ligand · chains X
06U · 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl) phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine · ligand · chains X
ACT · Acetate ion · additive · chains X

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

Compared structures

7T7S · R-27 in Complex with S. aureus DHFR and tricyclic-NADPH (tNADPH) · the same entry in another collection · chain X against X, TM-score 1.00
P0A017 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P0A017) · a predicted model of the same protein · chain X against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0A017
Elsewhere: RCSB PDB 7T7S · PDBe 7T7S · UniProt P0A017

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