Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2BP1

Structure of the aflatoxin aldehyde reductase in complex with NADPH

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005794	cellular_component	Golgi apparatus
A	0005829	cellular_component	cytosol
A	0005975	biological_process	carbohydrate metabolic process
A	0006081	biological_process	aldehyde metabolic process
A	0006629	biological_process	lipid metabolic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0019119	molecular_function	phenanthrene-9,10-epoxide hydrolase activity
A	0044597	biological_process	daunorubicin metabolic process
A	0044598	biological_process	doxorubicin metabolic process
A	0070062	cellular_component	extracellular exosome
B	0004032	molecular_function	aldose reductase (NADPH) activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005794	cellular_component	Golgi apparatus
B	0005829	cellular_component	cytosol
B	0005975	biological_process	carbohydrate metabolic process
B	0006081	biological_process	aldehyde metabolic process
B	0006629	biological_process	lipid metabolic process
B	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
B	0009055	molecular_function	electron transfer activity
B	0016491	molecular_function	oxidoreductase activity
B	0019119	molecular_function	phenanthrene-9,10-epoxide hydrolase activity
B	0044597	biological_process	daunorubicin metabolic process
B	0044598	biological_process	doxorubicin metabolic process
B	0070062	cellular_component	extracellular exosome
C	0004032	molecular_function	aldose reductase (NADPH) activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005794	cellular_component	Golgi apparatus
C	0005829	cellular_component	cytosol
C	0005975	biological_process	carbohydrate metabolic process
C	0006081	biological_process	aldehyde metabolic process
C	0006629	biological_process	lipid metabolic process
C	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
C	0009055	molecular_function	electron transfer activity
C	0016491	molecular_function	oxidoreductase activity
C	0019119	molecular_function	phenanthrene-9,10-epoxide hydrolase activity
C	0044597	biological_process	daunorubicin metabolic process
C	0044598	biological_process	doxorubicin metabolic process
C	0070062	cellular_component	extracellular exosome
D	0004032	molecular_function	aldose reductase (NADPH) activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005794	cellular_component	Golgi apparatus
D	0005829	cellular_component	cytosol
D	0005975	biological_process	carbohydrate metabolic process
D	0006081	biological_process	aldehyde metabolic process
D	0006629	biological_process	lipid metabolic process
D	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
D	0009055	molecular_function	electron transfer activity
D	0016491	molecular_function	oxidoreductase activity
D	0019119	molecular_function	phenanthrene-9,10-epoxide hydrolase activity
D	0044597	biological_process	daunorubicin metabolic process
D	0044598	biological_process	doxorubicin metabolic process
D	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE FLC A1362

Chain	Residue
A	MET46
A	MET77
A	TYR78
A	HIS142
A	TRP257
A	TYR261
A	ARG264
A	ARG360
A	NDP1361

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FLC B1362

Chain	Residue
B	MET46
B	MET77
B	TYR78
B	HIS142
B	TRP257
B	THR260
B	TYR261
B	ARG264
B	ARG360
B	NDP1361

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE FLC C1362

Chain	Residue
C	MET46
C	MET77
C	TYR78
C	HIS142
C	TRP257
C	TYR261
C	ARG264
C	ARG360
C	NDP1361

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FLC D1362

Chain	Residue
D	MET46
D	MET77
D	TYR78
D	HIS142
D	TYR261
D	ARG264
D	ARG360
D	NDP1361

site_id	AC5
Number of Residues	36
Details	BINDING SITE FOR RESIDUE NDP A1361

Chain	Residue
A	GLY44
A	THR45
A	MET46
A	ARG51
A	ASP73
A	TYR78
A	HIS142
A	SER172
A	ASN173
A	GLN198
A	TYR226
A	ASN227
A	PRO228
A	LEU229
A	ALA230
A	GLY231
A	GLY232
A	THR235
A	LYS237
A	TYR238
A	ARG251
A	TYR261
A	ILE315
A	GLY317
A	MET318
A	SER319
A	GLN323
A	GLN326
A	ASN327
A	FLC1362
A	HOH2118
A	HOH2123
A	HOH2147
A	HOH2148
A	HOH2149
A	HOH2150

site_id	AC6
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NDP B1361

Chain	Residue
B	ASN327
B	FLC1362
B	HOH2079
B	HOH2140
B	HOH2141
B	HOH2142
B	HOH2143
B	HOH2144
B	GLY44
B	THR45
B	MET46
B	ASP73
B	TYR78
B	HIS142
B	SER172
B	ASN173
B	GLN198
B	TYR226
B	ASN227
B	PRO228
B	LEU229
B	ALA230
B	GLY231
B	GLY232
B	THR235
B	LYS237
B	TYR238
B	ARG251
B	TYR261
B	ILE315
B	GLY317
B	MET318
B	SER319
B	GLN323
B	GLN326

site_id	AC7
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NDP C1361

Chain	Residue
C	GLY44
C	THR45
C	MET46
C	ASP73
C	TYR78
C	SER172
C	ASN173
C	GLN198
C	TYR226
C	ASN227
C	PRO228
C	LEU229
C	ALA230
C	GLY231
C	GLY232
C	THR235
C	LYS237
C	TYR238
C	GLY250
C	ARG251
C	TYR261
C	ILE315
C	GLY317
C	MET318
C	SER319
C	GLN323
C	GLN326
C	ASN327
C	ARG360
C	FLC1362
C	HOH2080
C	HOH2142
C	HOH2143
C	HOH2144
C	HOH2145

site_id	AC8
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NDP D1361

Chain	Residue
D	GLY44
D	THR45
D	MET46
D	ASP73
D	TYR78
D	SER172
D	ASN173
D	GLN198
D	TYR226
D	ASN227
D	PRO228
D	LEU229
D	ALA230
D	GLY231
D	GLY232
D	LYS237
D	TYR238
D	GLY250
D	ARG251
D	TYR261
D	ILE315
D	GLY317
D	MET318
D	SER319
D	GLN323
D	GLN326
D	ASN327
D	ARG360
D	FLC1362
D	HOH2067
D	HOH2099
D	HOH2100
D	HOH2101

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	88
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2009","submissionDatabase":"PDB data bank","title":"Structure of the aflatoxin aldehyde reductase in complex with NADPH.","authoringGroup":["Structural genomics consortium (SGC)"]}}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	16
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Site: {"description":"Lowers pKa of active site Tyr","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q8CG76","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8CG76","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8CG76","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"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	ASN108

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

Chain	Residue	Details
B	TYR78
B	ASN108

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

Chain	Residue	Details
C	TYR78
C	ASN108

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

Chain	Residue	Details
D	TYR78
D	ASN108

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

Chain	Residue	Details
A	LYS106
A	TYR78

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

Chain	Residue	Details
B	LYS106
B	TYR78

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

Chain	Residue	Details
C	LYS106
C	TYR78

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

Chain	Residue	Details
D	LYS106
D	TYR78

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