Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6VCJ

Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
A	0003723	molecular_function	RNA binding
A	0003729	molecular_function	mRNA binding
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005515	molecular_function	protein binding
A	0005542	molecular_function	folic acid binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006729	biological_process	tetrahydrobiopterin biosynthetic process
A	0006730	biological_process	one-carbon metabolic process
A	0008144	molecular_function	obsolete drug binding
A	0016491	molecular_function	oxidoreductase activity
A	0017148	biological_process	negative regulation of translation
A	0031103	biological_process	axon regeneration
A	0031427	biological_process	response to methotrexate
A	0046452	biological_process	dihydrofolate metabolic process
A	0046653	biological_process	tetrahydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0050661	molecular_function	NADP binding
A	0060090	molecular_function	molecular adaptor activity
A	0070402	molecular_function	NADPH binding
A	1990825	molecular_function	sequence-specific mRNA binding
A	2000121	biological_process	regulation of removal of superoxide radicals
B	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
B	0003723	molecular_function	RNA binding
B	0003729	molecular_function	mRNA binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0005515	molecular_function	protein binding
B	0005542	molecular_function	folic acid binding
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0006729	biological_process	tetrahydrobiopterin biosynthetic process
B	0006730	biological_process	one-carbon metabolic process
B	0008144	molecular_function	obsolete drug binding
B	0016491	molecular_function	oxidoreductase activity
B	0017148	biological_process	negative regulation of translation
B	0031103	biological_process	axon regeneration
B	0031427	biological_process	response to methotrexate
B	0046452	biological_process	dihydrofolate metabolic process
B	0046653	biological_process	tetrahydrofolate metabolic process
B	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0046655	biological_process	folic acid metabolic process
B	0050661	molecular_function	NADP binding
B	0060090	molecular_function	molecular adaptor activity
B	0070402	molecular_function	NADPH binding
B	1990825	molecular_function	sequence-specific mRNA binding
B	2000121	biological_process	regulation of removal of superoxide radicals
C	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
C	0003723	molecular_function	RNA binding
C	0003729	molecular_function	mRNA binding
C	0004146	molecular_function	dihydrofolate reductase activity
C	0005515	molecular_function	protein binding
C	0005542	molecular_function	folic acid binding
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005829	cellular_component	cytosol
C	0006729	biological_process	tetrahydrobiopterin biosynthetic process
C	0006730	biological_process	one-carbon metabolic process
C	0008144	molecular_function	obsolete drug binding
C	0016491	molecular_function	oxidoreductase activity
C	0017148	biological_process	negative regulation of translation
C	0031103	biological_process	axon regeneration
C	0031427	biological_process	response to methotrexate
C	0046452	biological_process	dihydrofolate metabolic process
C	0046653	biological_process	tetrahydrofolate metabolic process
C	0046654	biological_process	tetrahydrofolate biosynthetic process
C	0046655	biological_process	folic acid metabolic process
C	0050661	molecular_function	NADP binding
C	0060090	molecular_function	molecular adaptor activity
C	0070402	molecular_function	NADPH binding
C	1990825	molecular_function	sequence-specific mRNA binding
C	2000121	biological_process	regulation of removal of superoxide radicals
D	0000900	molecular_function	mRNA regulatory element binding translation repressor activity
D	0003723	molecular_function	RNA binding
D	0003729	molecular_function	mRNA binding
D	0004146	molecular_function	dihydrofolate reductase activity
D	0005515	molecular_function	protein binding
D	0005542	molecular_function	folic acid binding
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005829	cellular_component	cytosol
D	0006729	biological_process	tetrahydrobiopterin biosynthetic process
D	0006730	biological_process	one-carbon metabolic process
D	0008144	molecular_function	obsolete drug binding
D	0016491	molecular_function	oxidoreductase activity
D	0017148	biological_process	negative regulation of translation
D	0031103	biological_process	axon regeneration
D	0031427	biological_process	response to methotrexate
D	0046452	biological_process	dihydrofolate metabolic process
D	0046653	biological_process	tetrahydrofolate metabolic process
D	0046654	biological_process	tetrahydrofolate biosynthetic process
D	0046655	biological_process	folic acid metabolic process
D	0050661	molecular_function	NADP binding
D	0060090	molecular_function	molecular adaptor activity
D	0070402	molecular_function	NADPH binding
D	1990825	molecular_function	sequence-specific mRNA binding
D	2000121	biological_process	regulation of removal of superoxide radicals

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue LG3 A 201

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLU30
A	PHE34
A	TYR121
A	NAP203
A	FOL204
A	HOH312

site_id	AC2
Number of Residues	7
Details	binding site for residue NPX A 202

Chain	Residue
A	PHE34
A	GLN35
A	SER59
A	ASN64
A	ARG70
A	NAP203
A	FOL204

site_id	AC3
Number of Residues	30
Details	binding site for residue NAP A 203

Chain	Residue
A	VAL8
A	ALA9
A	ILE16
A	GLY17
A	GLY20
A	ASP21
A	GLY53
A	LYS54
A	LYS55
A	THR56
A	SER59
A	LEU75
A	SER76
A	ARG77
A	GLU78
A	ARG91
A	SER92
A	VAL115
A	GLY117
A	SER118
A	SER119
A	VAL120
A	TYR121
A	THR146
A	LG3201
A	NPX202
A	FOL204
A	HOH302
A	HOH303
A	HOH310

site_id	AC4
Number of Residues	15
Details	binding site for residue FOL A 204

Chain	Residue
A	ILE7
A	VAL8
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	GLN35
A	ASN64
A	LEU67
A	ARG70
A	VAL115
A	LG3201
A	NPX202
A	NAP203
A	HOH312

site_id	AC5
Number of Residues	8
Details	binding site for residue LG3 B 201

Chain	Residue
B	ILE7
B	VAL8
B	GLU30
B	PHE34
B	THR136
B	NPX202
B	NAP203
B	FOL204

site_id	AC6
Number of Residues	8
Details	binding site for residue NPX B 202

Chain	Residue
B	PHE31
B	PHE34
B	SER59
B	ASN64
B	ARG70
B	LG3201
B	NAP203
B	FOL204

site_id	AC7
Number of Residues	33
Details	binding site for residue NAP B 203

Chain	Residue
B	THR146
B	LG3201
B	NPX202
B	FOL204
B	HOH303
B	HOH305
B	HOH306
B	HOH307
B	HOH310
B	HOH311
D	ASN13
B	VAL8
B	ALA9
B	ILE16
B	GLY17
B	GLY20
B	ASP21
B	LEU22
B	GLY53
B	LYS54
B	LYS55
B	THR56
B	SER59
B	LEU75
B	SER76
B	ARG77
B	GLU78
B	ARG91
B	VAL115
B	GLY117
B	SER118
B	SER119
B	TYR121

site_id	AC8
Number of Residues	15
Details	binding site for residue FOL B 204

Chain	Residue
B	ILE7
B	VAL8
B	ALA9
B	GLU30
B	PHE31
B	PHE34
B	GLN35
B	ASN64
B	ARG70
B	VAL115
B	THR136
B	LG3201
B	NPX202
B	NAP203
B	HOH312

site_id	AC9
Number of Residues	9
Details	binding site for residue LG3 C 201

Chain	Residue
C	ILE7
C	VAL8
C	GLU30
C	PHE34
C	TYR121
C	THR136
C	NPX202
C	NAP203
C	FOL204

site_id	AD1
Number of Residues	9
Details	binding site for residue NPX C 202

Chain	Residue
C	PHE34
C	GLN35
C	SER59
C	ILE60
C	PRO61
C	ASN64
C	ARG70
C	LG3201
C	FOL204

site_id	AD2
Number of Residues	26
Details	binding site for residue NAP C 203

Chain	Residue
C	VAL8
C	ALA9
C	ILE16
C	GLY20
C	ASP21
C	GLY53
C	LYS54
C	LYS55
C	THR56
C	SER59
C	LEU75
C	SER76
C	ARG77
C	GLU78
C	ARG91
C	VAL115
C	GLY117
C	SER118
C	SER119
C	TYR121
C	THR146
C	LG3201
C	FOL204
C	HOH312
C	HOH314
C	HOH316

site_id	AD3
Number of Residues	15
Details	binding site for residue FOL C 204

Chain	Residue
C	ILE7
C	VAL8
C	ALA9
C	GLU30
C	PHE34
C	GLN35
C	ASN64
C	LEU67
C	LYS68
C	ARG70
C	VAL115
C	THR136
C	LG3201
C	NPX202
C	NAP203

site_id	AD4
Number of Residues	7
Details	binding site for residue LG3 D 201

Chain	Residue
D	ILE7
D	VAL8
D	GLU30
D	PHE34
D	NPX202
D	NAP203
D	FOL204

site_id	AD5
Number of Residues	10
Details	binding site for residue NPX D 202

Chain	Residue
D	PHE31
D	PHE34
D	GLN35
D	SER59
D	ASN64
D	LEU67
D	ARG70
D	LG3201
D	NAP203
D	FOL204

site_id	AD6
Number of Residues	28
Details	binding site for residue NAP D 203

Chain	Residue
D	VAL8
D	ALA9
D	ILE16
D	GLY17
D	GLY20
D	ASP21
D	LEU22
D	GLY53
D	LYS54
D	LYS55
D	THR56
D	SER59
D	LEU75
D	SER76
D	ARG77
D	GLU78
D	ARG91
D	VAL115
D	GLY117
D	SER118
D	SER119
D	VAL120
D	TYR121
D	THR146
D	LG3201
D	NPX202
D	FOL204
D	HOH309

site_id	AD7
Number of Residues	16
Details	binding site for residue FOL D 204

Chain	Residue
D	ILE7
D	VAL8
D	ALA9
D	LEU22
D	GLU30
D	PHE31
D	PHE34
D	GLN35
D	ASN64
D	LEU67
D	ARG70
D	VAL115
D	THR136
D	LG3201
D	NPX202
D	NAP203

Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	24
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGkngdLPWpplrnEfryFqrmT

Chain	Residue	Details
A	GLY15-THR38

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	543
Details	Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	72
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15039552","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16222560","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19478082","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"2248959","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	2
Details	M-CSA 490

Chain	Residue	Details
A	LEU22	electrostatic stabiliser
A	GLU30	electrostatic stabiliser

site_id	MCSA2
Number of Residues	2
Details	M-CSA 490

Chain	Residue	Details
B	LEU22	electrostatic stabiliser
B	GLU30	electrostatic stabiliser

site_id	MCSA3
Number of Residues	2
Details	M-CSA 490

Chain	Residue	Details
C	LEU22	electrostatic stabiliser
C	GLU30	electrostatic stabiliser

site_id	MCSA4
Number of Residues	2
Details	M-CSA 490

Chain	Residue	Details
D	LEU22	electrostatic stabiliser
D	GLU30	electrostatic stabiliser

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