Structure of PDB 4kjj Chain A

Receptor sequence

>4kjjA (length=159) Species: 83333 (Escherichia coli K-12)

MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESI
GRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVY
EQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHS
YCFEILERR

3D structure

• PDB: 4kjj Automated identification of functional dynamic contact networks from X-ray crystallography.
• Chain: A
• Resolution: 1.15 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): I5 M20 W22 D27 L28 F31 L54 I91 T113
• Catalytic site (residue number reindexed from 1): I5 M20 W22 D27 L28 F31 L54 I91 T113
• 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	A7 I14 N18 A19 M20 W22 G43 R44 H45 T46 S49 L62 S63 S64 K76 I94 G96 G97 R98 V99 Q102 T123	A7 I14 N18 A19 M20 W22 G43 R44 H45 T46 S49 L62 S63 S64 K76 I94 G96 G97 R98 V99 Q102 T123

Gene Ontology

Molecular Function

• GO:0004146 dihydrofolate reductase activity
• GO:0005515 protein binding
• GO:0005542 folic acid binding
• GO:0016491 oxidoreductase activity
• GO:0050661 NADP binding
• GO:0051870 methotrexate binding
• GO:0051871 dihydrofolic acid binding
• GO:0070401 NADP+ binding
• GO:0070402 NADPH binding

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0009257 10-formyltetrahydrofolate biosynthetic process
• GO:0009410 response to xenobiotic stimulus
• GO:0031427 response to methotrexate
• GO:0046452 dihydrofolate metabolic process
• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046655 folic acid metabolic process
• GO:0046656 folic acid biosynthetic process
• GO:0046677 response to antibiotic

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4kjj, PDBe:4kjj, PDBj:4kjj
• PDBsum: 4kjj
• PubMed: 23913260
• UniProt: P0ABQ4|DYR_ECOLI Dihydrofolate reductase (Gene Name=folA)