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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5G6S

Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity
A	0050661	molecular_function	NADP binding
B	0016491	molecular_function	oxidoreductase activity
B	0050661	molecular_function	NADP binding
C	0016491	molecular_function	oxidoreductase activity
C	0050661	molecular_function	NADP binding
D	0016491	molecular_function	oxidoreductase activity
D	0050661	molecular_function	NADP binding
E	0016491	molecular_function	oxidoreductase activity
E	0050661	molecular_function	NADP binding
F	0016491	molecular_function	oxidoreductase activity
F	0050661	molecular_function	NADP binding
G	0016491	molecular_function	oxidoreductase activity
G	0050661	molecular_function	NADP binding
H	0016491	molecular_function	oxidoreductase activity
H	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP A 300

Chain	Residue
A	LEU10
A	LEU67
A	VAL71
A	ASN93
A	ILE118
A	ALA120
A	VAL121
A	PRO122
A	RAU400
A	HOH2006
A	HOH2013
A	GLY11
A	HOH2075
A	HOH2076
G	GLY234
G	SER235
G	ASN236
G	MET239
A	ALA12
A	MET13
A	ASN32
A	ARG33
A	THR34
A	CYS65
A	LEU66

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RAU A 400

Chain	Residue
A	VAL121
A	LEU173
A	TYR177
A	PHE180
A	NDP300
G	TRP210
G	SER235
G	MET239
G	GLN240
G	GLY243

site_id	AC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NDP B 300

Chain	Residue
B	LEU10
B	GLY11
B	ALA12
B	MET13
B	ASN32
B	ARG33
B	THR34
B	CYS65
B	LEU66
B	LEU67
B	VAL71
B	ASN93
B	ILE118
B	ALA120
B	VAL121
B	PRO122
B	RAU400
B	HOH2002
B	HOH2071
C	GLY234
C	SER235
C	ASN236
C	MET239

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RAU B 400

Chain	Residue
B	VAL121
B	LEU173
B	MET176
B	TYR177
B	PHE180
B	NDP300
C	MET214
C	SER235
C	MET239
C	GLY243

site_id	AC5
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NDP C 300

Chain	Residue
B	GLY234
B	SER235
B	ASN236
B	MET239
B	HOH2054
B	HOH2056
C	LEU10
C	GLY11
C	ALA12
C	MET13
C	ASN32
C	ARG33
C	THR34
C	LYS37
C	CYS65
C	LEU66
C	LEU67
C	VAL71
C	ASN93
C	ILE118
C	ALA120
C	VAL121
C	PRO122
C	HOH2006
C	HOH2016
C	HOH2018

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RAU C 400

Chain	Residue
B	GLN240
B	GLY243
C	VAL121
C	LEU173
C	MET176
C	TYR177
C	PHE180
B	TRP210
B	MET214
B	TYR217
B	SER235
B	MET239

site_id	AC7
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NDP D 300

Chain	Residue
D	LEU10
D	GLY11
D	ALA12
D	MET13
D	ASN32
D	ARG33
D	THR34
D	CYS65
D	LEU66
D	LEU67
D	VAL71
D	ASN93
D	ILE118
D	ALA120
D	VAL121
D	PRO122
D	RAU400
D	HOH2006
D	HOH2015
D	HOH2016
D	HOH2018
D	HOH2020
D	HOH2085
D	HOH2086
D	HOH2087
D	HOH2088
D	HOH2089
F	GLY234
F	SER235
F	ASN236
F	MET239

site_id	AC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE RAU D 400

Chain	Residue
D	VAL121
D	LEU173
D	MET176
D	TYR177
D	NDP300
F	MET214
F	SER235
F	MET239
F	GLN240
F	GLY243
F	VAL244

site_id	AC9
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP E 300

Chain	Residue
E	LEU10
E	GLY11
E	ALA12
E	MET13
E	ASN32
E	ARG33
E	THR34
E	CYS65
E	LEU66
E	LEU67
E	VAL71
E	ASN93
E	ILE118
E	ALA120
E	VAL121
E	PRO122
E	RAU400
E	HOH2005
E	HOH2009
E	HOH2015
E	HOH2088
E	HOH2089
E	HOH2090
E	HOH2091
E	HOH2092
H	GLY234
H	SER235
H	ASN236
H	MET239

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RAU E 400

Chain	Residue
E	VAL121
E	LEU173
E	MET176
E	TYR177
E	PHE180
E	NDP300
H	MET214
H	SER235
H	MET239
H	GLN240
H	GLY243
H	VAL244

site_id	BC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP F 300

Chain	Residue
D	GLY234
D	SER235
D	ASN236
D	HOH2026
D	HOH2070
D	HOH2072
D	HOH2073
F	LEU10
F	GLY11
F	ALA12
F	MET13
F	ASN32
F	ARG33
F	THR34
F	LYS37
F	CYS65
F	LEU66
F	LEU67
F	VAL71
F	ASN93
F	ILE118
F	ALA120
F	PRO122
F	RAU400
F	HOH2003
F	HOH2009
F	HOH2053

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RAU F 400

Chain	Residue
D	TRP210
D	SER235
D	MET239
D	GLN240
D	GLY243
F	VAL121
F	LEU173
F	TYR177
F	PHE180
F	NDP300

site_id	BC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP G 300

Chain	Residue
A	GLY234
A	SER235
A	ASN236
A	MET239
A	HOH2060
A	HOH2062
G	LEU10
G	GLY11
G	ALA12
G	MET13
G	ASN32
G	ARG33
G	THR34
G	LYS37
G	CYS65
G	LEU66
G	LEU67
G	VAL71
G	ASN93
G	ILE118
G	ALA120
G	PRO122
G	RAU400
G	HOH2001
G	HOH2046

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE RAU G 400

Chain	Residue
A	TRP210
A	SER235
A	MET239
A	GLN240
A	GLY243
G	LEU173
G	MET176
G	TYR177
G	PHE180
G	NDP300

site_id	BC6
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP H 300

Chain	Residue
E	GLY234
E	SER235
E	ASN236
E	MET239
E	HOH2067
E	HOH2068
H	LEU10
H	GLY11
H	ALA12
H	MET13
H	ASN32
H	ARG33
H	THR34
H	LYS37
H	CYS65
H	LEU66
H	LEU67
H	VAL71
H	ASN93
H	ILE118
H	ALA120
H	VAL121
H	PRO122
H	RAU400
H	HOH2001

site_id	BC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RAU H 400

Chain	Residue
E	TRP210
E	MET214
E	SER235
E	MET239
E	GLN240
E	GLY243
E	VAL244
H	VAL121
H	MET176
H	TYR177
H	PHE180
H	NDP300

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:Q49A26

Chain	Residue	Details
A	GLY6
B	GLY6
C	GLY6
D	GLY6
E	GLY6
F	GLY6
G	GLY6
H	GLY6

218853

PDB entries from 2024-04-24

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