3D80

Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003723	molecular_function	RNA binding
A	0003729	molecular_function	mRNA binding
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005634	cellular_component	nucleus
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	0031103	biological_process	axon regeneration
A	0031427	biological_process	response to methotrexate
A	0035094	biological_process	response to nicotine
A	0035999	biological_process	tetrahydrofolate interconversion
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	0051871	molecular_function	dihydrofolic acid binding
A	2000121	biological_process	regulation of removal of superoxide radicals

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NDP A 187

Chain	Residue
A	VAL8
A	LYS55
A	THR56
A	LEU75
A	SER76
A	ARG77
A	GLU78
A	LYS91
A	SER92
A	VAL115
A	GLY117
A	ALA9
A	SER118
A	SER119
A	THR146
A	Q22188
A	HOH285
A	HOH302
A	HOH304
A	HOH313
A	HOH348
A	HOH388
A	ILE16
A	HOH406
A	HOH449
A	HOH458
A	GLY17
A	GLY20
A	ASP21
A	LEU22
A	GLY53
A	ARG54

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE Q22 A 188

Chain	Residue
A	ILE7
A	VAL8
A	GLY20
A	ASP21
A	GLU30
A	PHE31
A	PHE34
A	VAL115
A	TYR121
A	THR136
A	NDP187

---

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

Chain	Residue
A	PRO82
A	PRO83
A	ARG84
A	GLY85
A	ALA86
A	HOH376

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 190

Chain	Residue
A	THR39
A	SER41
A	HOH330
A	HOH331

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 191

Chain	Residue
A	LYS80
A	PRO82
A	LEU89
A	HOH277
A	HOH353
A	HOH544

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY15-THR38

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:15681865, ECO:0000269|PubMed:17019704

Chain	Residue	Details
A	ALA9
A	GLY15
A	ARG54
A	SER76
A	GLY116

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:15681865

Chain	Residue	Details
A	GLU30
A	ASN64
A	ARG70

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0007744|PubMed:23806337

Chain	Residue	Details
A	LYS32

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dhf

Chain	Residue	Details
A	LEU22
A	GLU30

---