Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5HSR

Fluorine substituted 5-methyl-6-(3',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	36
Details	binding site for residue NDP A 201

Chain	Residue
A	VAL8
A	LYS55
A	THR56
A	SER59
A	LEU75
A	SER76
A	ARG77
A	GLU78
A	ARG91
A	SER92
A	VAL115
A	ALA9
A	GLY117
A	SER118
A	SER119
A	TYR121
A	THR146
A	63Y202
A	63Y203
A	HOH303
A	HOH304
A	HOH305
A	ILE16
A	HOH328
A	HOH330
A	HOH338
A	HOH398
A	HOH399
A	HOH409
A	HOH427
A	GLY17
A	GLY20
A	ASP21
A	LEU22
A	GLY53
A	LYS54

site_id	AC2
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC3
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC4
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC5
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34

site_id	AC6
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC7
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC8
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AC9
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD1
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD2
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD3
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD4
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD5
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD6
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD7
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD8
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AD9
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE1
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE2
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE3
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE4
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE5
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE6
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE7
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE8
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

site_id	AE9
Number of Residues	18
Details	binding site for residues 63Y A 202 and 63Y A 203

Chain	Residue
A	ILE7
A	VAL8
A	ALA9
A	GLY20
A	ASP21
A	LEU22
A	GLU30
A	PHE31
A	PHE34
A	SER59
A	ILE60
A	PRO61
A	ASN64
A	VAL115
A	TYR121
A	THR136
A	NDP201
A	HOH391

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	181
Details	Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	18
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	7
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

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