6NKM

Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009820	biological_process	alkaloid metabolic process
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
B	0009820	biological_process	alkaloid metabolic process
B	0016020	cellular_component	membrane
B	0016491	molecular_function	oxidoreductase activity
C	0009820	biological_process	alkaloid metabolic process
C	0016020	cellular_component	membrane
C	0016491	molecular_function	oxidoreductase activity
D	0009820	biological_process	alkaloid metabolic process
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
E	0009820	biological_process	alkaloid metabolic process
E	0016020	cellular_component	membrane
E	0016491	molecular_function	oxidoreductase activity
F	0009820	biological_process	alkaloid metabolic process
F	0016020	cellular_component	membrane
F	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	28
Details	binding site for residue NAP A 801

Chain	Residue
A	GLY21
A	ASP76
A	LEU77
A	SER78
A	THR106
A	ALA107
A	ALA108
A	THR157
A	SER158
A	PRO200
A	GLY201
A	THR23
A	VAL203
A	THR205
A	ALA207
A	VAL208
A	ZWP802
A	HOH904
A	HOH917
A	HOH924
A	HOH938
A	SER24
A	GLY25
A	ILE26
A	SER46
A	ASN47
A	LYS50
A	CYS75

---

site_id	AC2
Number of Residues	8
Details	binding site for residue ZWP A 802

Chain	Residue
A	HIS161
A	ASN166
A	TRP169
A	GLY201
A	ALA202
A	VAL208
A	ALA223
A	NAP801

---

site_id	AC3
Number of Residues	28
Details	binding site for residue NAP B 801

Chain	Residue
B	GLY21
B	THR23
B	SER24
B	GLY25
B	ILE26
B	GLY45
B	SER46
B	ASN47
B	LYS50
B	CYS75
B	ASP76
B	LEU77
B	SER78
B	THR106
B	ALA107
B	ALA108
B	MET110
B	ILE130
B	ARG131
B	THR157
B	SER158
B	PRO200
B	GLY201
B	VAL203
B	THR205
B	ALA207
B	VAL208
B	HOH930

---

site_id	AC4
Number of Residues	29
Details	binding site for residue NAP C 801

Chain	Residue
C	GLY21
C	THR23
C	SER24
C	GLY25
C	ILE26
C	SER46
C	ASN47
C	LYS50
C	CYS75
C	ASP76
C	LEU77
C	SER78
C	THR106
C	ALA107
C	ALA108
C	MET110
C	ILE130
C	THR157
C	SER158
C	HIS161
C	PRO200
C	GLY201
C	VAL203
C	THR205
C	ALA207
C	VAL208
C	HOH905
C	HOH915
C	HOH924

---

site_id	AC5
Number of Residues	31
Details	binding site for residue NAP D 801

Chain	Residue
D	GLY45
D	SER46
D	ASN47
D	LYS50
D	CYS75
D	ASP76
D	LEU77
D	SER78
D	THR106
D	ALA107
D	ALA108
D	MET110
D	ILE130
D	ARG131
D	THR157
D	SER158
D	HIS161
D	PRO200
D	GLY201
D	ALA202
D	VAL203
D	THR205
D	ALA207
D	VAL208
D	HOH923
D	GLY21
D	GLY22
D	THR23
D	SER24
D	GLY25
D	ILE26

---

site_id	AC6
Number of Residues	23
Details	binding site for residue NAP E 801

Chain	Residue
E	GLY21
E	THR23
E	SER24
E	GLY25
E	ILE26
E	GLY45
E	SER46
E	ASN47
E	LYS50
E	CYS75
E	ASP76
E	LEU77
E	SER78
E	THR106
E	ALA107
E	ALA108
E	MET110
E	THR157
E	SER158
E	GLY201
E	VAL203
E	THR205
E	ALA207

---

site_id	AC7
Number of Residues	26
Details	binding site for residue NAP F 801

Chain	Residue
F	GLY21
F	THR23
F	SER24
F	GLY25
F	ILE26
F	SER46
F	ASN47
F	LYS50
F	CYS75
F	ASP76
F	LEU77
F	SER78
F	THR106
F	ALA107
F	ALA108
F	MET110
F	ILE130
F	THR157
F	SER158
F	GLY159
F	PRO200
F	GLY201
F	VAL203
F	THR205
F	ALA207
F	VAL208

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	120
Details	TRANSMEM: Helical => ECO:0000255

Chain	Residue	Details
A	GLY25-GLY45
B	GLY25-GLY45
C	GLY25-GLY45
D	GLY25-GLY45
E	GLY25-GLY45
F	GLY25-GLY45

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P50162

Chain	Residue	Details
A	LEU18
B	LEU18
C	LEU18
D	LEU18
E	LEU18
F	LEU18

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:31548667, ECO:0007744|PDB:6NKM

Chain	Residue	Details
D	ASP76
E	THR23
E	ASP76
F	THR23
F	ASP76
A	THR23
A	ASP76
B	THR23
B	ASP76
C	THR23
C	ASP76
D	THR23

---

site_id	SWS_FT_FI4
Number of Residues	42
Details	BINDING: BINDING => ECO:0000269|PubMed:31548667, ECO:0007744|PDB:6NKK, ECO:0007744|PDB:6NKM

Chain	Residue	Details
D	ASN47
D	LYS50
D	VAL203
D	THR205
E	SER24
E	ILE26
E	SER46
E	ASN47
E	LYS50
E	VAL203
E	THR205
F	SER24
F	ILE26
F	SER46
F	ASN47
F	LYS50
F	VAL203
F	THR205
B	VAL203
B	THR205
C	SER24
C	ILE26
C	SER46
C	ASN47
C	LYS50
C	VAL203
C	THR205
D	SER24
D	ILE26
D	SER46
A	SER24
A	ILE26
A	SER46
A	ASN47
A	LYS50
A	VAL203
A	THR205
B	SER24
B	ILE26
B	SER46
B	ASN47
B	LYS50

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:31548667, ECO:0007744|PDB:6NKK

Chain	Residue	Details
A	ARG131
B	ARG131
C	ARG131
D	ARG131
E	ARG131
F	ARG131

---