1P33

Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX

Functional Information from GO Data

Chain	GOid	namespace	contents
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	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	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	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	28
Details	BINDING SITE FOR RESIDUE NDP A 300

Chain	Residue
A	GLY13
A	SER67
A	ASN109
A	ALA110
A	SER111
A	SER112
A	ASP142
A	MET179
A	VAL180
A	ASP181
A	TYR194
A	ARG17
A	LYS198
A	PRO224
A	GLY225
A	LEU226
A	SER227
A	MTX351
A	HOH400
A	HOH473
A	HOH541
A	LEU18
A	HIS38
A	ARG39
A	SER40
A	ALA64
A	ASP65
A	LEU66

---

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP B 301

Chain	Residue
B	GLY13
B	LYS16
B	ARG17
B	LEU18
B	HIS36
B	HIS38
B	ARG39
B	SER40
B	ALA64
B	ASP65
B	LEU66
B	SER67
B	ASN109
B	ALA110
B	SER111
B	SER112
B	ASP142
B	MET179
B	VAL180
B	TYR194
B	LYS198
B	PRO224
B	GLY225
B	SER227
B	VAL228
B	MTX352
B	HOH412

---

site_id	AC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP C 302

Chain	Residue
C	GLY13
C	ALA15
C	ARG17
C	LEU18
C	TYR37
C	HIS38
C	ARG39
C	SER40
C	ASP65
C	LEU66
C	SER67
C	ASN109
C	ALA110
C	SER111
C	SER112
C	ASP142
C	SER146
C	MET179
C	VAL180
C	TYR194
C	LYS198
C	PRO224
C	GLY225
C	LEU226
C	SER227
C	VAL228
C	MTX353

---

site_id	AC4
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NDP D 303

Chain	Residue
D	LYS198
D	PRO224
D	GLY225
D	SER227
D	VAL228
D	MTX354
D	HOH428
D	GLY13
D	ALA15
D	ARG17
D	LEU18
D	HIS38
D	ARG39
D	SER40
D	LEU66
D	SER67
D	ASN109
D	ALA110
D	SER111
D	SER112
D	ASP142
D	MET179
D	VAL180
D	TYR194

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE MTX A 351

Chain	Residue
A	ARG17
A	SER111
A	PHE113
A	PRO115
A	ASP181
A	LEU188
A	TYR191
A	TYR194
A	LEU226
A	LEU229
A	PRO230
A	TYR241
A	NDP300
A	HOH484

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE MTX B 352

Chain	Residue
B	ARG17
B	SER111
B	PHE113
B	PRO115
B	ASP181
B	LEU188
B	TYR191
B	TYR194
B	LEU226
B	PRO230
B	MET233
B	TYR241
B	NDP301

---

site_id	AC7
Number of Residues	14
Details	BINDING SITE FOR RESIDUE MTX C 353

Chain	Residue
C	ARG17
C	SER111
C	PHE113
C	PRO115
C	ASP181
C	LEU188
C	TYR191
C	TYR194
C	LEU226
C	LEU229
C	PRO230
C	MET233
C	TYR241
C	NDP302

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE MTX D 354

Chain	Residue
D	ARG17
D	SER111
D	PHE113
D	PRO115
D	ASP181
D	TYR191
D	TYR194
D	LEU229
D	PRO230
D	MET233
D	TYR241
D	NDP303
D	HOH509

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ASP181-ALA209

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10001","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	124
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12925782","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	THR172
A	LYS198
A	TYR194

---

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS198
B	TYR194

---

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS198
C	TYR194

---

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS198
D	TYR194

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	THR172
B	LYS198
B	TYR194

---

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	THR172
C	LYS198
C	TYR194

---

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	THR172
D	LYS198
D	TYR194

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS198
A	TYR191

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS198
B	TYR191

---

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS198
C	TYR191

---

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS198
D	TYR191

---

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS198
A	TYR194

---