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Structure of PDB 3r33 Chain A Binding Site BS07

Receptor Information >3r33 Chain A (length=159) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESI GRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVY EQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHS YCFEILERR

Ligand information Ligand ID CA InChI InChI=1S/Ca/q+2 InChIKey BHPQYMZQTOCNFJ-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 [Ca++] ACDLabs 10.04 OpenEye OEToolkits 1.5.0 [Ca+2] Formula Ca Name CALCIUM ION ChEMBL DrugBank DB14577 ZINC PDB chain 3r33 Chain A Residue 168 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3r33 Evidence for dynamics in proteins as a mechanism for ligand dissociation. Resolution 2.09 Å Binding residue (original residue number in PDB) D116 H149 Binding residue (residue number reindexed from 1) D116 H149 Annotation score 1

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.

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

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