3R33

Evidence for dynamic motion in proteins as a mechanism for ligand dissociation

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	0044281	biological_process	small molecule metabolic process
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 6ME A 161

Chain	Residue
A	ILE5
A	ALA6
A	ASP27
A	PHE31
A	ILE94
A	TYR100
A	THR113
A	HOH214

---

site_id	AC2
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NDP A 1160

Chain	Residue
A	ALA7
A	ILE14
A	GLY15
A	ASN18
A	ALA19
A	MET20
A	TRP22
A	GLY43
A	ARG44
A	HIS45
A	THR46
A	LEU62
A	SER63
A	SER64
A	LYS76
A	ILE94
A	GLY96
A	GLY97
A	ARG98
A	VAL99
A	TYR100
A	GLN102
A	THR123
A	ASP131
A	CA163
A	CA165
A	HOH212
A	HOH228
A	HOH241
A	HOH252
A	HOH257
A	HOH286
A	HOH311
A	ALA6

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 160

Chain	Residue
A	VAL10
A	ASP116
A	HOH307
A	HOH356

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CL A 162

Chain	Residue
A	ASP116
A	HIS149
A	SER150
A	CA168
A	CL177
A	HOH181
A	HOH204
A	HOH247

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 163

Chain	Residue
A	ARG44
A	GLN65
A	NDP1160

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 164

Chain	Residue
A	ARG52
A	PRO53
A	GLU80
A	HOH305

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 165

Chain	Residue
A	MET20
A	SER49
A	NDP1160

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 166

Chain	Residue
A	GLU134
A	GLU157
A	HOH247

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 167

Chain	Residue
A	PRO105
A	LYS106
A	HOH278
A	HOH326

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 168

Chain	Residue
A	ASP116
A	HIS149
A	ARG159
A	CL162
A	CL177
A	HOH247
A	HOH258

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 169

Chain	Residue
A	ILE82
A	GLY86
A	HOH226

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 170

Chain	Residue
A	GLU101
A	ARG159
A	CL177
A	HOH225
A	HOH258

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA A 171

Chain	Residue
A	ALA19
A	MET20

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 172

Chain	Residue
A	GLY121
A	HIS124
A	PHE140
A	CYS152
A	HOH249

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA A 173

Chain	Residue
A	ASP11
A	HOH253

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 174

Chain	Residue
A	VAL78
A	ASP79
A	ASP131
A	HOH327

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 175

Chain	Residue
A	ARG12
A	ASP127
A	TYR128

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 176

Chain	Residue
A	LYS32
A	PRO55
A	ARG57

---

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CL A 177

Chain	Residue
A	GLU101
A	ASP116
A	ARG159
A	CL162
A	CA168
A	CA170
A	HOH258
A	HOH307

---

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 178

Chain	Residue
A	ASP116
A	ASP122
A	HOH259
A	HOH301
A	HOH318

---

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CA A 179

Chain	Residue
A	HOH285

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA A 180

Chain	Residue
A	ARG52
A	HOH296
A	HOH346

---

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	157
Details	Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9012674","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	17
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19374017","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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