Structure of PDB 3cd2 Chain A

Receptor sequence

>3cd2A (length=206) Species: 4754 (Pneumocystis carinii)

MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFE
SMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDH
ALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDI
HCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFE
MWTRDL

3D structure

• PDB: 3cd2 Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
• Chain: A
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L25 E32
• Catalytic site (residue number reindexed from 1): L25 E32
• 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	A12 I19 G20 S24 L25 G58 R59 K60 T61 I80 T81 R82 K96 I123 G125 A126 Q127	A12 I19 G20 S24 L25 G58 R59 K60 T61 I80 T81 R82 K96 I123 G125 A126 Q127
BS02	MTX	A	I10 L25 E32 I33 F36 F69 R75 I123	I10 L25 E32 I33 F36 F69 R75 I123	BindingDB: IC50=1nM,Ki=0.008000nM

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:0005739 mitochondrion

External links

• PDB: RCSB:3cd2, PDBe:3cd2, PDBj:3cd2
• PDBsum: 3cd2
• PubMed: 10194348
• UniProt: P16184|DYR_PNECA Dihydrofolate reductase