6NY0

Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0009410	biological_process	response to xenobiotic stimulus

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue LBA A 101

Chain	Residue
A	VAL66
A	GLN67
A	GLN67
A	ILE68
A	ILE68

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site_id	AC2
Number of Residues	3
Details	binding site for residue MRD A 102

Chain	Residue
A	PHE24
A	GLY25
A	TRP45

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site_id	AC3
Number of Residues	5
Details	binding site for residue MRD A 103

Chain	Residue
A	GLY25
A	ARG76
A	ILE77
A	HOH233
A	ALA22

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site_id	AC4
Number of Residues	9
Details	binding site for residue PO4 A 104

Chain	Residue
A	ARG31
A	LYS32
A	LYS33
A	CYS47
A	THR48
A	ASN49
A	GLU75
A	HOH207
A	HOH220

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site_id	AC5
Number of Residues	3
Details	binding site for residue PO4 A 105

Chain	Residue
A	GLY35
A	LEU50
A	HOH201

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17473013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18052202","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2P4T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2RK1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2RK2","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18052202","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2RK1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 752

Chain	Residue	Details
A	LYS32	electrostatic stabiliser
A	GLN67	electrostatic stabiliser
A	ILE68	electrostatic stabiliser
A	TYR69	electrostatic stabiliser

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