Structure of PDB 3sa1 Chain A

Receptor sequence

>3sa1A (length=164) Species: 1392 (Bacillus anthracis)

HHMRVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNY
EAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGG
AQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEK
NPYTYYYHVYEKQQ

3D structure

• PDB: 3sa1 SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
• Chain: A
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): M6 L21 W23 E28 L29 V32 L55 I93 T115
• Catalytic site (residue number reindexed from 1): M8 L23 W25 E30 L31 V34 L57 I95 T117
• 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	NAP	A	V7 A8 I15 N19 N20 L21 G44 R45 K46 N47 V63 T64 R65 H78 F96 G97 G98 A99 Q100 I101 L104	V9 A10 I17 N21 N22 L23 G46 R47 K48 N49 V65 T66 R67 H80 F98 G99 G100 A101 Q102 I103 L106
BS02	6DR	A	M6 V7 A8 L21 E28 V32 K33 A50 I51 R53 L55 F96	M8 V9 A10 L23 E30 V34 K35 A52 I53 R55 L57 F98

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004146 dihydrofolate reductase activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• 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:3sa1, PDBe:3sa1, PDBj:3sa1
• PDBsum: 3sa1
• UniProt: Q81R22