Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5UIO

structure of DHFR with bound DAP, p-ABG and NADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005515	molecular_function	protein binding
A	0005542	molecular_function	folic acid binding
A	0005829	cellular_component	cytosol
A	0006730	biological_process	one-carbon metabolic process
A	0009257	biological_process	10-formyltetrahydrofolate biosynthetic process
A	0009410	biological_process	response to xenobiotic stimulus
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	0046656	biological_process	folic acid biosynthetic process
A	0046677	biological_process	response to antibiotic
A	0050661	molecular_function	NADP binding
A	0051870	molecular_function	methotrexate binding
A	0051871	molecular_function	dihydrofolic acid binding
A	0070401	molecular_function	NADP+ binding
A	0070402	molecular_function	NADPH binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0005515	molecular_function	protein binding
B	0005542	molecular_function	folic acid binding
B	0005829	cellular_component	cytosol
B	0006730	biological_process	one-carbon metabolic process
B	0009257	biological_process	10-formyltetrahydrofolate biosynthetic process
B	0009410	biological_process	response to xenobiotic stimulus
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	0046656	biological_process	folic acid biosynthetic process
B	0046677	biological_process	response to antibiotic
B	0050661	molecular_function	NADP binding
B	0051870	molecular_function	methotrexate binding
B	0051871	molecular_function	dihydrofolic acid binding
B	0070401	molecular_function	NADP+ binding
B	0070402	molecular_function	NADPH binding
C	0004146	molecular_function	dihydrofolate reductase activity
C	0005515	molecular_function	protein binding
C	0005542	molecular_function	folic acid binding
C	0005829	cellular_component	cytosol
C	0006730	biological_process	one-carbon metabolic process
C	0009257	biological_process	10-formyltetrahydrofolate biosynthetic process
C	0009410	biological_process	response to xenobiotic stimulus
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	0046656	biological_process	folic acid biosynthetic process
C	0046677	biological_process	response to antibiotic
C	0050661	molecular_function	NADP binding
C	0051870	molecular_function	methotrexate binding
C	0051871	molecular_function	dihydrofolic acid binding
C	0070401	molecular_function	NADP+ binding
C	0070402	molecular_function	NADPH binding
D	0004146	molecular_function	dihydrofolate reductase activity
D	0005515	molecular_function	protein binding
D	0005542	molecular_function	folic acid binding
D	0005829	cellular_component	cytosol
D	0006730	biological_process	one-carbon metabolic process
D	0009257	biological_process	10-formyltetrahydrofolate biosynthetic process
D	0009410	biological_process	response to xenobiotic stimulus
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	0046656	biological_process	folic acid biosynthetic process
D	0046677	biological_process	response to antibiotic
D	0050661	molecular_function	NADP binding
D	0051870	molecular_function	methotrexate binding
D	0051871	molecular_function	dihydrofolic acid binding
D	0070401	molecular_function	NADP+ binding
D	0070402	molecular_function	NADPH binding
E	0004146	molecular_function	dihydrofolate reductase activity
E	0005515	molecular_function	protein binding
E	0005542	molecular_function	folic acid binding
E	0005829	cellular_component	cytosol
E	0006730	biological_process	one-carbon metabolic process
E	0009257	biological_process	10-formyltetrahydrofolate biosynthetic process
E	0009410	biological_process	response to xenobiotic stimulus
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	0046656	biological_process	folic acid biosynthetic process
E	0046677	biological_process	response to antibiotic
E	0050661	molecular_function	NADP binding
E	0051870	molecular_function	methotrexate binding
E	0051871	molecular_function	dihydrofolic acid binding
E	0070401	molecular_function	NADP+ binding
E	0070402	molecular_function	NADPH binding

Functional Information from PDB Data

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

Chain	Residue
A	ILE5
A	ALA6
A	ALA7
A	ASP27
A	PHE31
A	ILE94
A	TYR100
A	THR113
A	HOH363

site_id	AC2
Number of Residues	8
Details	binding site for residue 8DM A 202

Chain	Residue
A	PHE31
A	LYS32
A	ILE50
A	ARG52
A	ARG57
A	HOH308
A	HOH314
A	HOH370

site_id	AC3
Number of Residues	21
Details	binding site for residue NAP A 203

Chain	Residue
A	MET16
A	GLY43
A	ARG44
A	HIS45
A	THR46
A	LEU62
A	SER63
A	SER64
A	LYS76
A	GLY96
A	GLY97
A	ARG98
A	VAL99
A	GLN102
A	ASP122
A	THR123
A	HOH326
A	HOH334
A	HOH338
A	HOH364
A	HOH400

site_id	AC4
Number of Residues	9
Details	binding site for residue LG3 B 201

Chain	Residue
B	ILE5
B	ALA6
B	ASP27
B	PHE31
B	ILE94
B	TYR100
B	THR113
B	HOH325
B	HOH346

site_id	AC5
Number of Residues	5
Details	binding site for residue FMT B 203

Chain	Residue
B	GLY43
B	ARG44
B	HIS45
B	THR46
B	GLY96

site_id	AC6
Number of Residues	11
Details	binding site for residue LG3 C 201

Chain	Residue
C	ILE5
C	ALA6
C	ALA7
C	ASP27
C	PHE31
C	ILE94
C	TYR100
C	THR113
C	8DM202
C	HOH325
C	HOH334

site_id	AC7
Number of Residues	9
Details	binding site for residue 8DM C 202

Chain	Residue
C	PHE31
C	LYS32
C	ARG52
C	ARG57
C	LG3201
C	HOH307
C	HOH310
C	HOH325
C	HOH337

site_id	AC8
Number of Residues	21
Details	binding site for residue NAP C 203

Chain	Residue
B	GLY121
C	GLY43
C	ARG44
C	HIS45
C	THR46
C	LEU62
C	SER63
C	SER64
C	LYS76
C	GLY96
C	GLY97
C	ARG98
C	VAL99
C	GLN102
C	ASP122
C	THR123
C	HOH309
C	HOH339
C	HOH347
C	HOH386
C	HOH411

site_id	AC9
Number of Residues	4
Details	binding site for residue FMT C 205

Chain	Residue
C	ARG12
C	ASP127
C	TYR128
C	HOH398

site_id	AD1
Number of Residues	10
Details	binding site for residue LG3 D 201

Chain	Residue
D	ASP27
D	PHE31
D	ILE94
D	TYR100
D	THR113
D	8DM202
D	NAP203
D	HOH351
D	ILE5
D	ALA6

site_id	AD2
Number of Residues	8
Details	binding site for residue 8DM D 202

Chain	Residue
D	MET20
D	LEU28
D	PHE31
D	LYS32
D	ILE50
D	LEU54
D	ARG57
D	LG3201

site_id	AD3
Number of Residues	29
Details	binding site for residue NAP D 203

Chain	Residue
D	ALA6
D	ALA7
D	ILE14
D	GLY15
D	MET16
D	ASN18
D	ALA19
D	GLY43
D	ARG44
D	HIS45
D	THR46
D	LEU62
D	SER63
D	SER64
D	LYS76
D	ILE94
D	GLY96
D	GLY97
D	ARG98
D	VAL99
D	TYR100
D	GLN102
D	LG3201
D	HOH305
D	HOH326
D	HOH331
D	HOH344
D	HOH350
D	HOH370

site_id	AD4
Number of Residues	9
Details	binding site for residue LG3 E 201

Chain	Residue
E	ILE5
E	ALA6
E	ALA7
E	ASP27
E	PHE31
E	ILE94
E	TYR100
E	THR113
E	HOH347

site_id	AD5
Number of Residues	6
Details	binding site for residue 8DM E 202

Chain	Residue
E	PHE31
E	LYS32
E	ILE50
E	ARG52
E	ARG57
E	HOH358

site_id	AD6
Number of Residues	24
Details	binding site for residue NAP E 203

Chain	Residue
E	MET16
E	GLU17
E	GLY43
E	ARG44
E	HIS45
E	THR46
E	LEU62
E	SER63
E	SER64
E	LYS76
E	GLY96
E	GLY97
E	ARG98
E	VAL99
E	GLN102
E	ASP122
E	THR123
E	HOH307
E	HOH308
E	HOH328
E	HOH346
E	HOH348
E	HOH365
E	HOH380

site_id	AD7
Number of Residues	6
Details	binding site for Di-peptide BME B 202 and CYS B 152

Chain	Residue
B	LEU112
B	THR113
B	HIS114
B	GLU139
B	TYR151
B	PHE153

site_id	AD8
Number of Residues	7
Details	binding site for Di-peptide BME C 204 and CYS C 152

Chain	Residue
C	LEU112
C	THR113
C	HIS114
C	GLU139
C	TYR151
C	PHE153
C	GLU154

site_id	AD9
Number of Residues	6
Details	binding site for Di-peptide BME D 204 and CYS D 152

Chain	Residue
D	LEU112
D	THR113
D	HIS114
D	GLU139
D	TYR151
D	PHE153

site_id	AE1
Number of Residues	7
Details	binding site for Di-peptide BME E 204 and CYS E 152

Chain	Residue
E	LEU112
E	THR113
E	HIS114
E	SER138
E	GLU139
E	TYR151
E	PHE153

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL13-THR35

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	25
Details	BINDING: BINDING => ECO:0000305\|PubMed:9012674

Chain	Residue	Details
A	ILE5
B	THR113
C	ILE5
C	ASP27
C	ARG52
C	ARG57
C	THR113
D	ILE5
D	ASP27
D	ARG52
D	ARG57
A	ASP27
D	THR113
E	ILE5
E	ASP27
E	ARG52
E	ARG57
E	THR113
A	ARG52
A	ARG57
A	THR113
B	ILE5
B	ASP27
B	ARG52
B	ARG57

site_id	SWS_FT_FI2
Number of Residues	30
Details	BINDING: BINDING => ECO:0000269\|PubMed:19374017

Chain	Residue	Details
A	ALA7
B	SER63
B	LYS76
B	GLY95
C	ALA7
C	VAL13
C	HIS45
C	SER63
C	LYS76
C	GLY95
D	ALA7
A	VAL13
D	VAL13
D	HIS45
D	SER63
D	LYS76
D	GLY95
E	ALA7
E	VAL13
E	HIS45
E	SER63
E	LYS76
A	HIS45
E	GLY95
A	SER63
A	LYS76
A	GLY95
B	ALA7
B	VAL13
B	HIS45

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