3S3V

human dihydrofolate reductase Q35K/N64F double mutant binary complex with trimethoprim

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	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	0051000	biological_process	positive regulation of nitric-oxide synthase 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	13
Details	BINDING SITE FOR RESIDUE TOP A 187

Chain	Residue
A	ILE7
A	VAL115
A	THR136
A	TOP193
A	HOH243
A	VAL8
A	ALA9
A	GLU30
A	PHE31
A	PHE34
A	LYS35
A	ILE60
A	LEU67

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 188

Chain	Residue
A	GLY53
A	LYS54
A	LYS55
A	THR56
A	GLY117
A	VAL120
A	HOH262
A	HOH264

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 189

Chain	Residue
A	LYS54
A	SER76
A	ARG77
A	GLU78
A	HOH214
A	HOH340

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 190

Chain	Residue
A	GLU143
A	LEU166
A	SER167
A	HOH302
A	HOH326

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 191

Chain	Residue
A	LYS63
A	LYS63
A	PHE64
A	TOP193

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 192

Chain	Residue
A	LYS63
A	LYS63
A	LYS63
A	TOP193
A	HOH295
A	HOH295

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TOP A 193

Chain	Residue
A	ASP21
A	PHE31
A	SER59
A	PRO61
A	LYS63
A	PHE64
A	TOP187
A	SO4191
A	SO4192
A	HOH325

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY15-THR38

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082

Chain	Residue	Details
A	ALA9
A	GLY15
A	LYS54
A	SER76
A	GLY116

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:2248959

Chain	Residue	Details
A	GLU30
A	PHE64
A	ARG70

---

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

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