Structure of PDB 5hf0 Chain X

Receptor sequence

>5hf0X (length=157) Species: 1280 (Staphylococcus aureus)

TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESI
GKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEE
MIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT
FLHLIRK

3D structure

• PDB: 5hf0 Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1106)
• Chain: X
• Resolution: 2.245 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L5
• Catalytic site (residue number reindexed from 1): L5
• Enzyme Commision number: 1.5.1.3: dihydrofolate reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	U06	X	L5 V6 A7 D27 L28 V31 S49 I50 F92	L5 V6 A7 D27 L28 V31 S49 I50 F92	BindingDB: Ki=4.8nM
BS02	XNP	X	N18 Q19 G43 R44 K45 T46 L62 T63 S64 G94 Q95 T96 E100 T121	N18 Q19 G43 R44 K45 T46 L62 T63 S64 G94 Q95 T96 E100 T121
BS03	NAP	X	V6 A7 I14 Q19 L20 G43 R44 K45 T46 L62 T63 S64 H77 F92 G94 Q95 T96 E100 T121	V6 A7 I14 Q19 L20 G43 R44 K45 T46 L62 T63 S64 H77 F92 G94 Q95 T96 E100 T121

Gene Ontology

Molecular Function

• GO:0004146 dihydrofolate reductase activity
• GO:0016491 oxidoreductase activity
• GO:0050661 NADP binding

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0046452 dihydrofolate metabolic process
• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046655 folic acid metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:5hf0, PDBe:5hf0, PDBj:5hf0
• PDBsum: 5hf0
• UniProt: P0A017|DYR_STAAU Dihydrofolate reductase (Gene Name=folA)