Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2W9S

Staphylococcus aureus S1:DHFR in complex with trimethoprim

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005829	cellular_component	cytosol
A	0006545	biological_process	glycine biosynthetic process
A	0006730	biological_process	one-carbon metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0031427	biological_process	response to methotrexate
A	0046452	biological_process	dihydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0046677	biological_process	response to antibiotic
A	0050661	molecular_function	NADP binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0005829	cellular_component	cytosol
B	0006545	biological_process	glycine biosynthetic process
B	0006730	biological_process	one-carbon metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0031427	biological_process	response to methotrexate
B	0046452	biological_process	dihydrofolate metabolic process
B	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0046655	biological_process	folic acid metabolic process
B	0046677	biological_process	response to antibiotic
B	0050661	molecular_function	NADP binding
C	0004146	molecular_function	dihydrofolate reductase activity
C	0005829	cellular_component	cytosol
C	0006545	biological_process	glycine biosynthetic process
C	0006730	biological_process	one-carbon metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0031427	biological_process	response to methotrexate
C	0046452	biological_process	dihydrofolate metabolic process
C	0046654	biological_process	tetrahydrofolate biosynthetic process
C	0046655	biological_process	folic acid metabolic process
C	0046677	biological_process	response to antibiotic
C	0050661	molecular_function	NADP binding
D	0004146	molecular_function	dihydrofolate reductase activity
D	0005829	cellular_component	cytosol
D	0006545	biological_process	glycine biosynthetic process
D	0006730	biological_process	one-carbon metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0031427	biological_process	response to methotrexate
D	0046452	biological_process	dihydrofolate metabolic process
D	0046654	biological_process	tetrahydrofolate biosynthetic process
D	0046655	biological_process	folic acid metabolic process
D	0046677	biological_process	response to antibiotic
D	0050661	molecular_function	NADP binding
E	0004146	molecular_function	dihydrofolate reductase activity
E	0005829	cellular_component	cytosol
E	0006545	biological_process	glycine biosynthetic process
E	0006730	biological_process	one-carbon metabolic process
E	0016491	molecular_function	oxidoreductase activity
E	0031427	biological_process	response to methotrexate
E	0046452	biological_process	dihydrofolate metabolic process
E	0046654	biological_process	tetrahydrofolate biosynthetic process
E	0046655	biological_process	folic acid metabolic process
E	0046677	biological_process	response to antibiotic
E	0050661	molecular_function	NADP binding
F	0004146	molecular_function	dihydrofolate reductase activity
F	0005829	cellular_component	cytosol
F	0006545	biological_process	glycine biosynthetic process
F	0006730	biological_process	one-carbon metabolic process
F	0016491	molecular_function	oxidoreductase activity
F	0031427	biological_process	response to methotrexate
F	0046452	biological_process	dihydrofolate metabolic process
F	0046654	biological_process	tetrahydrofolate biosynthetic process
F	0046655	biological_process	folic acid metabolic process
F	0046677	biological_process	response to antibiotic
F	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1158

Chain	Residue
A	ARG12
A	TYR126
D	GLN118

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL E 1158

Chain	Residue
E	ARG44
E	THR63
E	ASN64

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 1158

Chain	Residue
B	ARG12
B	TYR126
F	GLN118

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1158

Chain	Residue
C	ARG12
C	TYR126
E	GLN118

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 1159

Chain	Residue
E	ASN18
E	ALA43
E	GLY94
E	GLN95
E	THR96
E	THR121

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL F 1158

Chain	Residue
F	ASN18
F	ALA43
F	GLY94
F	GLN95
F	THR96

site_id	AC7
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP A 1159

Chain	Residue
A	VAL6
A	ALA7
A	ILE14
A	GLY15
A	TYR16
A	ASN18
A	GLN19
A	LEU20
A	ALA43
A	ARG44
A	LYS45
A	THR46
A	LEU62
A	THR63
A	ASN64
A	GLN65
A	ASN77
A	PHE92
A	GLY94
A	GLN95
A	THR96
A	TYR98
A	TOP1160
A	HOH2005
A	HOH2022
A	HOH2038
A	HOH2039
A	HOH2040

site_id	AC8
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP B 1159

Chain	Residue
B	VAL6
B	ALA7
B	ILE14
B	GLY15
B	TYR16
B	ASN18
B	GLN19
B	LEU20
B	ALA43
B	ARG44
B	LYS45
B	THR46
B	LEU62
B	THR63
B	ASN64
B	GLN65
B	ASN77
B	PHE92
B	GLY94
B	GLN95
B	THR96
B	TYR98
B	THR121
B	TOP1160
B	HOH2041
B	HOH2042
B	HOH2043
B	HOH2044
B	HOH2045

site_id	AC9
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP C 1159

Chain	Residue
C	GLN95
C	THR96
C	TYR98
C	TOP1160
C	HOH2004
C	HOH2022
C	HOH2041
C	HOH2043
C	HOH2044
C	VAL6
C	ALA7
C	ILE14
C	GLY15
C	TYR16
C	ASN18
C	GLN19
C	LEU20
C	ALA43
C	ARG44
C	LYS45
C	THR46
C	LEU62
C	THR63
C	ASN64
C	GLN65
C	ASN77
C	PHE92
C	GLY94

site_id	BC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE TOP A 1160

Chain	Residue
A	ILE5
A	VAL6
A	ALA7
A	LEU20
A	ASP27
A	ILE31
A	SER49
A	ILE50
A	PHE92
A	TYR98
A	NDP1159
A	HOH2016
A	HOH2029
A	HOH2041

site_id	BC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE TOP B 1160

Chain	Residue
B	ILE5
B	VAL6
B	ALA7
B	LEU20
B	ASP27
B	ILE31
B	SER49
B	ILE50
B	PHE92
B	TYR98
B	NDP1159
B	HOH2019
B	HOH2030
B	HOH2047

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE TOP C 1160

Chain	Residue
C	ILE5
C	VAL6
C	ALA7
C	LEU20
C	ASP27
C	ILE31
C	SER49
C	ILE50
C	PHE92
C	TYR98
C	NDP1159
C	HOH2030
C	HOH2045
C	HOH2046

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TOP D 1158

Chain	Residue
D	ILE5
D	VAL6
D	ALA7
D	ASN18
D	LEU20
D	ASP27
D	ILE31
D	PHE92
D	TYR98
D	HOH2001
D	HOH2020

site_id	BC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TOP E 1160

Chain	Residue
E	ILE5
E	VAL6
E	ALA7
E	ASN18
E	LEU20
E	ASP27
E	ILE31
E	PHE92
E	TYR98
E	THR111
E	HOH2001
E	HOH2005

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TOP F 1159

Chain	Residue
F	ILE5
F	VAL6
F	ALA7
F	ASN18
F	LEU20
F	ASP27
F	ILE31
F	PHE92
F	TYR98

Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	23
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGyqnqLPWhlpn.DlkhIkqlT

Chain	Residue	Details
A	VAL13-THR35

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000305\|PubMed:19280600

Chain	Residue	Details
A	ILE5
C	ASP27
C	ARG57
C	THR111
D	ILE5
D	ASP27
D	ARG57
D	THR111
E	ILE5
E	ASP27
E	ARG57
A	ASP27
E	THR111
F	ILE5
F	ASP27
F	ARG57
F	THR111
A	ARG57
A	THR111
B	ILE5
B	ASP27
B	ARG57
B	THR111
C	ILE5

site_id	SWS_FT_FI2
Number of Residues	30
Details	BINDING: BINDING => ECO:0000269\|PubMed:19280600

Chain	Residue	Details
A	VAL6
B	PHE92
C	VAL6
C	ILE14
C	ALA43
C	LEU62
C	PHE92
D	VAL6
D	ILE14
D	ALA43
D	LEU62
A	ILE14
D	PHE92
E	VAL6
E	ILE14
E	ALA43
E	LEU62
E	PHE92
F	VAL6
F	ILE14
F	ALA43
F	LEU62
A	ALA43
F	PHE92
A	LEU62
A	PHE92
B	VAL6
B	ILE14
B	ALA43
B	LEU62

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)