Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2CLP

Crystal structure of human aflatoxin B1 aldehyde reductase member 3

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006081	biological_process	aldehyde metabolic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0009055	molecular_function	electron transfer activity
A	0009636	biological_process	response to toxic substance
A	0016491	molecular_function	oxidoreductase activity
A	0042802	molecular_function	identical protein binding
A	0046223	biological_process	aflatoxin catabolic process
A	0070062	cellular_component	extracellular exosome
A	0070401	molecular_function	NADP+ binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006081	biological_process	aldehyde metabolic process
B	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
B	0009055	molecular_function	electron transfer activity
B	0009636	biological_process	response to toxic substance
B	0016491	molecular_function	oxidoreductase activity
B	0042802	molecular_function	identical protein binding
B	0046223	biological_process	aflatoxin catabolic process
B	0070062	cellular_component	extracellular exosome
B	0070401	molecular_function	NADP+ binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006081	biological_process	aldehyde metabolic process
C	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
C	0009055	molecular_function	electron transfer activity
C	0009636	biological_process	response to toxic substance
C	0016491	molecular_function	oxidoreductase activity
C	0042802	molecular_function	identical protein binding
C	0046223	biological_process	aflatoxin catabolic process
C	0070062	cellular_component	extracellular exosome
C	0070401	molecular_function	NADP+ binding
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006081	biological_process	aldehyde metabolic process
D	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
D	0009055	molecular_function	electron transfer activity
D	0009636	biological_process	response to toxic substance
D	0016491	molecular_function	oxidoreductase activity
D	0042802	molecular_function	identical protein binding
D	0046223	biological_process	aflatoxin catabolic process
D	0070062	cellular_component	extracellular exosome
D	0070401	molecular_function	NADP+ binding
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006081	biological_process	aldehyde metabolic process
E	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
E	0009055	molecular_function	electron transfer activity
E	0009636	biological_process	response to toxic substance
E	0016491	molecular_function	oxidoreductase activity
E	0042802	molecular_function	identical protein binding
E	0046223	biological_process	aflatoxin catabolic process
E	0070062	cellular_component	extracellular exosome
E	0070401	molecular_function	NADP+ binding
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006081	biological_process	aldehyde metabolic process
F	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
F	0009055	molecular_function	electron transfer activity
F	0009636	biological_process	response to toxic substance
F	0016491	molecular_function	oxidoreductase activity
F	0042802	molecular_function	identical protein binding
F	0046223	biological_process	aflatoxin catabolic process
F	0070062	cellular_component	extracellular exosome
F	0070401	molecular_function	NADP+ binding
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0006081	biological_process	aldehyde metabolic process
G	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
G	0009055	molecular_function	electron transfer activity
G	0009636	biological_process	response to toxic substance
G	0016491	molecular_function	oxidoreductase activity
G	0042802	molecular_function	identical protein binding
G	0046223	biological_process	aflatoxin catabolic process
G	0070062	cellular_component	extracellular exosome
G	0070401	molecular_function	NADP+ binding
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0006081	biological_process	aldehyde metabolic process
H	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
H	0009055	molecular_function	electron transfer activity
H	0009636	biological_process	response to toxic substance
H	0016491	molecular_function	oxidoreductase activity
H	0042802	molecular_function	identical protein binding
H	0046223	biological_process	aflatoxin catabolic process
H	0070062	cellular_component	extracellular exosome
H	0070401	molecular_function	NADP+ binding
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0006081	biological_process	aldehyde metabolic process
I	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
I	0009055	molecular_function	electron transfer activity
I	0009636	biological_process	response to toxic substance
I	0016491	molecular_function	oxidoreductase activity
I	0042802	molecular_function	identical protein binding
I	0046223	biological_process	aflatoxin catabolic process
I	0070062	cellular_component	extracellular exosome
I	0070401	molecular_function	NADP+ binding
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0006081	biological_process	aldehyde metabolic process
J	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
J	0009055	molecular_function	electron transfer activity
J	0009636	biological_process	response to toxic substance
J	0016491	molecular_function	oxidoreductase activity
J	0042802	molecular_function	identical protein binding
J	0046223	biological_process	aflatoxin catabolic process
J	0070062	cellular_component	extracellular exosome
J	0070401	molecular_function	NADP+ binding
K	0005515	molecular_function	protein binding
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0006081	biological_process	aldehyde metabolic process
K	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
K	0009055	molecular_function	electron transfer activity
K	0009636	biological_process	response to toxic substance
K	0016491	molecular_function	oxidoreductase activity
K	0042802	molecular_function	identical protein binding
K	0046223	biological_process	aflatoxin catabolic process
K	0070062	cellular_component	extracellular exosome
K	0070401	molecular_function	NADP+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA A 1362

Chain	Residue
A	HIS269
A	GLU272

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA C 1362

Chain	Residue
C	HIS269
C	GLU272

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA E 1362

Chain	Residue
E	HIS269
E	GLU272

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA G 1362

Chain	Residue
G	HIS269
G	GLU272

site_id	AC5
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP A 1361

Chain	Residue
A	ALA45
A	MET46
A	ARG51
A	ASP73
A	TYR78
A	HIS142
A	SER172
A	ASN173
A	GLN198
A	PHE226
A	ASN227
A	PRO228
A	LEU229
A	ALA230
A	GLY231
A	GLY232
A	THR235
A	LYS237
A	TYR238
A	ARG251
A	ILE315
A	GLY317
A	MET318
A	SER319
A	GLN323
A	GLN326
A	ASN327
A	GLY44

site_id	AC6
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP B 1361

Chain	Residue
B	GLY44
B	MET46
B	ARG51
B	ASP73
B	TYR78
B	SER172
B	ASN173
B	GLN198
B	PHE226
B	ASN227
B	PRO228
B	LEU229
B	ALA230
B	GLY231
B	GLY232
B	THR235
B	LYS237
B	TYR238
B	GLY250
B	ARG251
B	ILE315
B	GLY317
B	MET318
B	SER319
B	GLN323
B	GLN326
B	ASN327

site_id	AC7
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP C 1361

Chain	Residue
C	GLY44
C	ALA45
C	MET46
C	ARG51
C	ASP73
C	TYR78
C	HIS142
C	SER172
C	ASN173
C	GLN198
C	PHE226
C	ASN227
C	PRO228
C	LEU229
C	ALA230
C	GLY231
C	GLY232
C	THR235
C	LYS237
C	TYR238
C	GLY250
C	ARG251
C	ILE315
C	GLY317
C	MET318
C	SER319
C	GLN323
C	GLN326
C	ASN327

site_id	AC8
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP D 1361

Chain	Residue
D	HIS142
D	SER172
D	ASN173
D	GLN198
D	PHE226
D	ASN227
D	PRO228
D	LEU229
D	ALA230
D	GLY231
D	GLY232
D	THR235
D	LYS237
D	TYR238
D	GLY250
D	ARG251
D	ILE315
D	GLY317
D	MET318
D	SER319
D	GLN323
D	GLN326
D	ASN327
D	GLY44
D	ALA45
D	MET46
D	ARG51
D	ASP73
D	TYR78
D	LYS106

site_id	AC9
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NDP E 1361

Chain	Residue
E	GLY44
E	MET46
E	ARG51
E	ASP73
E	TYR78
E	LYS106
E	HIS142
E	SER172
E	ASN173
E	GLN198
E	PHE226
E	ASN227
E	PRO228
E	LEU229
E	ALA230
E	GLY231
E	GLY232
E	THR235
E	LYS237
E	TYR238
E	ARG251
E	ILE315
E	GLY317
E	SER319
E	GLN323
E	GLN326
E	ASN327

site_id	BC1
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP F 1361

Chain	Residue
F	GLY44
F	MET46
F	ARG51
F	ASP73
F	TYR78
F	HIS142
F	SER172
F	ASN173
F	GLN198
F	PHE226
F	ASN227
F	PRO228
F	LEU229
F	ALA230
F	GLY231
F	GLY232
F	THR235
F	LYS237
F	TYR238
F	GLY250
F	ARG251
F	ILE315
F	GLY317
F	MET318
F	SER319
F	GLN323
F	GLN326
F	ASN327

site_id	BC2
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP G 1361

Chain	Residue
G	GLY44
G	MET46
G	ARG51
G	ASP73
G	TYR78
G	LYS106
G	HIS142
G	SER172
G	ASN173
G	GLN198
G	PHE226
G	ASN227
G	PRO228
G	LEU229
G	ALA230
G	GLY231
G	GLY232
G	THR235
G	LYS237
G	TYR238
G	GLY250
G	ARG251
G	ILE315
G	GLY317
G	SER319
G	GLN323
G	GLN326
G	ASN327

site_id	BC3
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP H 1361

Chain	Residue
H	GLY44
H	MET46
H	ARG51
H	ASP73
H	TYR78
H	HIS142
H	SER172
H	GLN198
H	PHE226
H	ASN227
H	PRO228
H	LEU229
H	ALA230
H	GLY231
H	GLY232
H	THR235
H	LYS237
H	TYR238
H	GLY250
H	ARG251
H	TYR261
H	THR293
H	ILE315
H	GLY317
H	MET318
H	SER319
H	GLN323
H	GLN326
H	ASN327

site_id	BC4
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NDP I 1361

Chain	Residue
I	GLY44
I	ALA45
I	MET46
I	ASP73
I	TYR78
I	HIS142
I	SER172
I	ASN173
I	GLN198
I	PHE226
I	ASN227
I	PRO228
I	LEU229
I	GLY231
I	GLY232
I	THR235
I	LYS237
I	TYR238
I	GLY250
I	ARG251
I	THR293
I	ILE315
I	GLY317
I	MET318
I	SER319
I	GLN323
I	GLN326
I	ASN327

site_id	BC5
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP J 1361

Chain	Residue
J	GLY44
J	ALA45
J	MET46
J	ASP73
J	TYR78
J	HIS142
J	SER172
J	ASN173
J	GLN198
J	PHE226
J	ASN227
J	PRO228
J	LEU229
J	ALA230
J	GLY231
J	GLY232
J	THR235
J	LYS237
J	TYR238
J	GLY250
J	ARG251
J	TYR261
J	THR293
J	ILE315
J	GLY317
J	MET318
J	SER319
J	GLN323
J	GLN326
J	ASN327

site_id	BC6
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NDP K 1361

Chain	Residue
K	GLY44
K	ALA45
K	MET46
K	ASP73
K	TYR78
K	HIS142
K	SER172
K	ASN173
K	GLN198
K	PHE226
K	ASN227
K	PRO228
K	LEU229
K	ALA230
K	GLY231
K	GLY232
K	THR235
K	LYS237
K	TYR238
K	GLY250
K	ARG251
K	THR293
K	ILE315
K	GLY317
K	MET318
K	SER319
K	GLN323
K	GLN326
K	ASN327

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	11
Details	Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	165
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"APR-2006","submissionDatabase":"PDB data bank","title":"Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3.","authors":["Debreczeni J.E.","Johansson C.","Kavanagh K.","Turnbull A.","Papagrigoriou E.","von Delft F.","Edwards A.","Arrowsmith C.","Weigelt J.","Sundstrom M.","Oppermann U."]}},{"source":"PDB","id":"2CLP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	11
Details	Site: {"description":"Lowers pKa of active site Tyr","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	11
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	11
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
A	TYR78
A	ILE108

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

Chain	Residue	Details
J	TYR78
J	ILE108

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

Chain	Residue	Details
K	TYR78
K	ILE108

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

Chain	Residue	Details
A	LYS106
A	TYR78

site_id	CSA13
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
B	LYS106
B	TYR78

site_id	CSA14
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
C	LYS106
C	TYR78

site_id	CSA15
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
D	LYS106
D	TYR78

site_id	CSA16
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
E	LYS106
E	TYR78

site_id	CSA17
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
F	LYS106
F	TYR78

site_id	CSA18
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
G	LYS106
G	TYR78

site_id	CSA19
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
H	LYS106
H	TYR78

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
B	TYR78
B	ILE108

site_id	CSA20
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
I	LYS106
I	TYR78

site_id	CSA21
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
J	LYS106
J	TYR78

site_id	CSA22
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
K	LYS106
K	TYR78

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
C	TYR78
C	ILE108

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 2alr

Chain	Residue	Details
D	TYR78
D	ILE108

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

Chain	Residue	Details
E	TYR78
E	ILE108

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

Chain	Residue	Details
F	TYR78
F	ILE108

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

Chain	Residue	Details
G	TYR78
G	ILE108

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

Chain	Residue	Details
H	TYR78
H	ILE108

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

Chain	Residue	Details
I	TYR78
I	ILE108

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)