6NXZ

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	6
Details	binding site for residue D49 A 101

Chain	Residue
A	VAL66
A	GLN67
A	GLN67
A	ILE68
A	ILE68
A	HOH249

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site_id	AC2
Number of Residues	4
Details	binding site for residue MRD A 102

Chain	Residue
A	LEU50
A	GLY35
A	ASN49
A	LEU50

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

Chain	Residue
A	ALA22
A	GLY25
A	ASP28
A	ARG76
A	ILE77

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site_id	AC4
Number of Residues	8
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	HOH205

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:17473013, ECO:0000269|PubMed:18052202, ECO:0007744|PDB:2P4T, ECO:0007744|PDB:2RK1, ECO:0007744|PDB:2RK2

Chain	Residue	Details
A	LYS32
A	VAL66

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site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:18052202, ECO:0007744|PDB:2RK1

Chain	Residue	Details
A	ILE68

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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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