6GEY

Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0047040	molecular_function	pteridine reductase activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0047040	molecular_function	pteridine reductase activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0047040	molecular_function	pteridine reductase activity
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0047040	molecular_function	pteridine reductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	33
Details	binding site for residue NAP A 301

Chain	Residue
A	ARG14
A	THR64
A	ASN93
A	ALA94
A	SER95
A	THR126
A	LEU159
A	CYS160
A	ASP161
A	TYR174
A	LYS178
A	ILE15
A	PRO204
A	GLY205
A	SER207
A	LEU208
A	EWT302
A	HOH414
A	HOH416
A	HOH420
A	HOH427
A	HOH431
A	TYR34
A	HOH468
A	HOH506
A	HOH531
A	HOH537
A	HIS35
A	ASN36
A	SER37
A	ALA61
A	ASP62
A	LEU63

---

site_id	AC2
Number of Residues	10
Details	binding site for residue EWT A 302

Chain	Residue
A	SER95
A	PHE97
A	ASP161
A	CYS168
A	TYR174
A	LEU209
A	MET213
A	TRP221
A	NAP301
A	HOH590

---

site_id	AC3
Number of Residues	6
Details	binding site for residue DMS A 303

Chain	Residue
A	ASP161
A	MET163
A	PRO167
A	CYS168
A	TYR174
A	ASN175

---

site_id	AC4
Number of Residues	29
Details	binding site for residue NAP B 301

Chain	Residue
B	ARG14
B	ILE15
B	TYR34
B	HIS35
B	ASN36
B	SER37
B	ALA61
B	ASP62
B	LEU63
B	THR64
B	ASN93
B	ALA94
B	SER95
B	THR126
B	LEU159
B	CYS160
B	TYR174
B	LYS178
B	PRO204
B	GLY205
B	SER207
B	LEU208
B	EWT302
B	HOH412
B	HOH433
B	HOH435
B	HOH457
B	HOH474
B	HOH513

---

site_id	AC5
Number of Residues	8
Details	binding site for residue EWT B 302

Chain	Residue
B	SER95
B	PHE97
B	ASP161
B	CYS168
B	TYR174
B	GLU217
B	TRP221
B	NAP301

---

site_id	AC6
Number of Residues	6
Details	binding site for residue DMS B 303

Chain	Residue
B	ASP161
B	MET163
B	PRO167
B	CYS168
B	TYR174
B	ASN175

---

site_id	AC7
Number of Residues	32
Details	binding site for residue NAP C 301

Chain	Residue
C	ASP62
C	LEU63
C	THR64
C	ASN93
C	ALA94
C	SER95
C	THR126
C	LEU159
C	CYS160
C	ASP161
C	TYR174
C	LYS178
C	PRO204
C	GLY205
C	VAL206
C	SER207
C	LEU208
C	EWT302
C	HOH406
C	HOH407
C	HOH418
C	HOH459
C	HOH462
C	HOH482
C	HOH486
C	ARG14
C	ILE15
C	TYR34
C	HIS35
C	ASN36
C	SER37
C	ALA61

---

site_id	AC8
Number of Residues	10
Details	binding site for residue EWT C 302

Chain	Residue
C	SER95
C	PHE97
C	ASP161
C	CYS168
C	TYR174
C	LEU209
C	PRO210
C	MET213
C	TRP221
C	NAP301

---

site_id	AC9
Number of Residues	5
Details	binding site for residue ACT C 303

Chain	Residue
B	TYR34
B	VAL58
C	VAL57
C	VAL58
C	HOH433

---

site_id	AD1
Number of Residues	32
Details	binding site for residue NAP D 301

Chain	Residue
D	ARG14
D	ILE15
D	TYR34
D	HIS35
D	ASN36
D	SER37
D	ALA61
D	ASP62
D	LEU63
D	THR64
D	ASN93
D	ALA94
D	SER95
D	THR126
D	LEU159
D	CYS160
D	ASP161
D	TYR174
D	LYS178
D	PRO204
D	GLY205
D	SER207
D	LEU208
D	EWT302
D	HOH409
D	HOH410
D	HOH411
D	HOH416
D	HOH422
D	HOH502
D	HOH511
D	HOH532

---

site_id	AD2
Number of Residues	10
Details	binding site for residue EWT D 302

Chain	Residue
D	SER95
D	PHE97
D	ASP161
D	CYS168
D	TYR174
D	VAL206
D	PRO210
D	MET213
D	TRP221
D	NAP301

---

site_id	AD3
Number of Residues	6
Details	binding site for residue DMS D 303

Chain	Residue
D	ASP161
D	MET163
D	PRO167
D	CYS168
D	TYR174
D	ASN175

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ASP161-ALA189

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