Structure of PDB 3sh2 Chain A

Receptor sequence

>3sh2A (length=157) Species: 1280 (Staphylococcus aureus)

TLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESI
GKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEE
MIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHT
FLHLIRK

3D structure

• PDB: 3sh2 Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
• Chain: A
• Resolution: 2.999 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L5 L20 W22 D27 L28 V31 L54 V89 T111
• Catalytic site (residue number reindexed from 1): L5 L20 W22 D27 L28 V31 L54 V89 T111
• 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	NDP	A	V6 A7 I14 N18 Q19 L20 G43 R44 K45 T46 L62 T63 S64 F92 G94 Q95 T96 E100 T121	V6 A7 I14 N18 Q19 L20 G43 R44 K45 T46 L62 T63 S64 F92 G94 Q95 T96 E100 T121
BS02	5DR	A	L5 V6 A7 L20 D27 L28 V31 S49 I50 L54 F92	L5 V6 A7 L20 D27 L28 V31 S49 I50 L54 F92	BindingDB: IC50=2.4nM

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:3sh2, PDBe:3sh2, PDBj:3sh2
• PDBsum: 3sh2
• PubMed: 22347365
• UniProt: P0A017|DYR_STAAU Dihydrofolate reductase (Gene Name=folA)