1E92

Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004155	molecular_function	6,7-dihydropteridine reductase activity
A	0005829	cellular_component	cytosol
A	0006729	biological_process	tetrahydrobiopterin biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0031427	biological_process	response to methotrexate
A	0047040	molecular_function	pteridine reductase activity
B	0004155	molecular_function	6,7-dihydropteridine reductase activity
B	0005829	cellular_component	cytosol
B	0006729	biological_process	tetrahydrobiopterin biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0031427	biological_process	response to methotrexate
B	0047040	molecular_function	pteridine reductase activity
C	0004155	molecular_function	6,7-dihydropteridine reductase activity
C	0005829	cellular_component	cytosol
C	0006729	biological_process	tetrahydrobiopterin biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0031427	biological_process	response to methotrexate
C	0047040	molecular_function	pteridine reductase activity
D	0004155	molecular_function	6,7-dihydropteridine reductase activity
D	0005829	cellular_component	cytosol
D	0006729	biological_process	tetrahydrobiopterin biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0031427	biological_process	response to methotrexate
D	0047040	molecular_function	pteridine reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAP A1289

Chain	Residue
A	ARG17
A	LEU66
A	ASN109
A	ALA110
A	SER111
A	SER112
A	ASP142
A	MET179
A	VAL180
A	ASP181
A	TYR194
A	LEU18
A	LYS198
A	PRO224
A	GLY225
A	LEU226
A	SER227
A	HBI1290
A	HOH2002
A	HOH2003
A	HOH2005
A	HOH2070
A	HIS36
A	HOH2106
A	HOH2107
A	TYR37
A	HIS38
A	ARG39
A	SER40
A	ALA64
A	ASP65

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HBI A1290

Chain	Residue
A	ARG17
A	SER111
A	PHE113
A	ASP181
A	TYR194
A	LEU226
A	NAP1289
A	HOH2109
D	HOH2100

---

site_id	AC3
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NAP B1289

Chain	Residue
B	ARG17
B	LEU18
B	HIS36
B	TYR37
B	HIS38
B	ARG39
B	SER40
B	ALA64
B	ASP65
B	LEU66
B	ASN109
B	ALA110
B	SER111
B	SER112
B	ASP142
B	MET179
B	VAL180
B	ASP181
B	TYR194
B	LYS198
B	PRO224
B	GLY225
B	LEU226
B	SER227
B	HBI1290
B	HOH2003
B	HOH2058
B	HOH2098
B	HOH2099
B	HOH2100

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE HBI B1290

Chain	Residue
B	ARG17
B	SER111
B	PHE113
B	ASP181
B	TYR194
B	LEU226
B	LEU229
B	NAP1289
B	HOH2101
C	HOH2107

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B1291

Chain	Residue
A	GLY199
A	GLU202
A	ARG206
B	GLY199
B	GLU202
B	ARG206

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B1292

Chain	Residue
A	ARG20
A	THR50
B	ARG20
B	THR50

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B1293

Chain	Residue
A	ASN68
B	ASN68

---

site_id	AC8
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAP C1289

Chain	Residue
C	ALA64
C	ASP65
C	LEU66
C	ASN109
C	ALA110
C	SER111
C	SER112
C	ASP142
C	MET179
C	VAL180
C	ASP181
C	TYR194
C	LYS198
C	PRO224
C	GLY225
C	LEU226
C	SER227
C	HBI1290
C	HOH2002
C	HOH2044
C	HOH2068
C	HOH2108
C	HOH2109
C	HOH2110
C	HOH2111
C	HOH2112
C	ARG17
C	LEU18
C	HIS36
C	TYR37
C	HIS38
C	ARG39
C	SER40

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HBI C1290

Chain	Residue
C	ARG17
C	SER111
C	PHE113
C	ASP181
C	TYR194
C	LEU226
C	NAP1289
C	HOH2113
C	HOH2114

---

site_id	BC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAP D1289

Chain	Residue
D	ARG17
D	LEU18
D	HIS36
D	TYR37
D	HIS38
D	ARG39
D	SER40
D	ALA64
D	ASP65
D	LEU66
D	ASN109
D	ALA110
D	SER111
D	SER112
D	ASP142
D	MET179
D	VAL180
D	ASP181
D	TYR194
D	LYS198
D	PRO224
D	GLY225
D	LEU226
D	SER227
D	HBI1290
D	HOH2039
D	HOH2103
D	HOH2104
D	HOH2105
D	HOH2106
D	HOH2107
D	HOH2108

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HBI D1290

Chain	Residue
D	ARG17
D	SER111
D	PHE113
D	ASP181
D	TYR194
D	LEU226
D	NAP1289
D	HOH2109
D	HOH2110

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D1291

Chain	Residue
C	GLY199
C	GLU202
C	ARG206
D	GLY199
D	GLU202
D	ARG206

---

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. DamtnqpllgYtiYTMAKGALeGLTrSAA

Chain	Residue	Details
A	ASP181-ALA209

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	TYR194
B	TYR194
C	TYR194
D	TYR194

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ARG17
B	ARG17
C	ARG17
D	ARG17

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:11373620

Chain	Residue	Details
A	SER175
B	SER175
C	SER175
D	SER175

---