Structure of PDB 4elh Chain D

Receptor sequence

>4elhD (length=166) Species: 260799 (Bacillus anthracis str. Sterne)

MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEA
IGRPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQ
IYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNP
YTYYYHVYEKQQLVPR

3D structure

• PDB: 4elh Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
• Chain: D
• Resolution: 2.103 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): M6 L21 W23 E28 L29 V32 L55 I93 T115
• 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	53I	D	M6 V7 A8 L21 E28 L29 V32 K33 A50 I51 R53 F96	M6 V7 A8 L21 E28 L29 V32 K33 A50 I51 R53 F96	MOAD: Ki=8.2nM
BS02	CA	D	Y108 D110	Y108 D110
BS03	53J	D	M6 V7 A8 N20 L21 E28 L29 V32 K33 A50 I51 L55 F96	M6 V7 A8 N20 L21 E28 L29 V32 K33 A50 I51 L55 F96	MOAD: Ki=8.2nM

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:4elh, PDBe:4elh, PDBj:4elh
• PDBsum: 4elh
• PubMed: 22999981
• UniProt: Q81R22