1M79

Candida albicans Dihydrofolate Reductase Complexed with Dihydro-Nicotinamide-Adenine-Dinucleotide Phosphate (NADPH) and 5-(4-methoxyphenoxy)-2,4-quinazolinediamine (GW1466)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005739	cellular_component	mitochondrion
A	0006730	biological_process	one-carbon metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0046452	biological_process	dihydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0050661	molecular_function	NADP binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0005739	cellular_component	mitochondrion
B	0006730	biological_process	one-carbon metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0046452	biological_process	dihydrofolate metabolic process
B	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0046655	biological_process	folic acid metabolic process
B	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NDP A 193

Chain	Residue
A	VAL10
A	GLY55
A	ARG56
A	LYS57
A	THR58
A	LEU77
A	SER78
A	ARG79
A	SER94
A	ILE112
A	GLY114
A	ALA11
A	ALA115
A	GLU116
A	ILE117
A	TYR118
A	GLU120
A	MQ1194
A	HOH352
A	HOH360
A	HOH361
A	HOH395
A	ILE19
A	HOH423
A	HOH461
A	HOH486
A	HOH492
A	HOH541
A	GLY20
A	GLY23
A	LYS24
A	MET25
A	ARG30
A	LYS31

---

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE MQ1 A 194

Chain	Residue
A	ILE9
A	VAL10
A	ALA11
A	GLU32
A	ILE33
A	PHE36
A	THR58
A	ILE62
A	ILE112
A	TYR118
A	NDP193
A	MES201

---

site_id	AC3
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NDP B 195

Chain	Residue
B	VAL10
B	ALA11
B	ILE19
B	GLY20
B	GLY23
B	LYS24
B	MET25
B	GLY55
B	ARG56
B	LYS57
B	THR58
B	LEU77
B	SER78
B	ARG79
B	SER94
B	ILE96
B	ILE112
B	GLY114
B	ALA115
B	GLU116
B	ILE117
B	TYR118
B	GLU120
B	MQ1196
B	HOH231
B	HOH322
B	HOH345
B	HOH350
B	HOH364
B	HOH389
B	HOH394
B	HOH400
B	HOH481
B	HOH490

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MQ1 B 196

Chain	Residue
B	ILE9
B	VAL10
B	ALA11
B	GLU32
B	PHE36
B	THR58
B	SER61
B	ILE62
B	ILE112
B	TYR118
B	NDP195

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MES A 201

Chain	Residue
A	PHE36
A	LYS37
A	ARG72
A	MQ1194

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MES B 202

Chain	Residue
B	PHE36
B	LYS37
B	ARG72
B	HOH444

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY18-THR40

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	372
Details	Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11520201","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11520201","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P0ABQ4","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	7
Details	Annotated By Reference To The Literature 1ra2

Chain	Residue	Details
A	VAL10
A	GLU32
A	ILE33
A	MET25
A	ILE112
A	LEU69
A	PHE36

---

site_id	CSA2
Number of Residues	7
Details	Annotated By Reference To The Literature 1ra2

Chain	Residue	Details
B	VAL10
B	GLU32
B	ILE33
B	MET25
B	ILE112
B	LEU69
B	PHE36

---