Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2Y05

Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006691	biological_process	leukotriene metabolic process
A	0006693	biological_process	prostaglandin metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016628	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
A	0032440	molecular_function	2-alkenal reductase [NAD(P)H] activity
A	0035798	molecular_function	2-alkenal reductase (NADPH) activity
A	0036102	biological_process	leukotriene B4 metabolic process
A	0036185	molecular_function	13-lipoxin reductase activity
A	0047522	molecular_function	15-oxoprostaglandin 13-reductase [NAD(P)+] activity
A	0070062	cellular_component	extracellular exosome
A	0097257	molecular_function	leukotriene B4 12-hydroxy dehydrogenase activity
A	2001302	biological_process	lipoxin A4 metabolic process
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006691	biological_process	leukotriene metabolic process
B	0006693	biological_process	prostaglandin metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016628	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
B	0032440	molecular_function	2-alkenal reductase [NAD(P)H] activity
B	0035798	molecular_function	2-alkenal reductase (NADPH) activity
B	0036102	biological_process	leukotriene B4 metabolic process
B	0036185	molecular_function	13-lipoxin reductase activity
B	0047522	molecular_function	15-oxoprostaglandin 13-reductase [NAD(P)+] activity
B	0070062	cellular_component	extracellular exosome
B	0097257	molecular_function	leukotriene B4 12-hydroxy dehydrogenase activity
B	2001302	biological_process	lipoxin A4 metabolic process
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006691	biological_process	leukotriene metabolic process
C	0006693	biological_process	prostaglandin metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016628	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
C	0032440	molecular_function	2-alkenal reductase [NAD(P)H] activity
C	0035798	molecular_function	2-alkenal reductase (NADPH) activity
C	0036102	biological_process	leukotriene B4 metabolic process
C	0036185	molecular_function	13-lipoxin reductase activity
C	0047522	molecular_function	15-oxoprostaglandin 13-reductase [NAD(P)+] activity
C	0070062	cellular_component	extracellular exosome
C	0097257	molecular_function	leukotriene B4 12-hydroxy dehydrogenase activity
C	2001302	biological_process	lipoxin A4 metabolic process
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006691	biological_process	leukotriene metabolic process
D	0006693	biological_process	prostaglandin metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0016628	molecular_function	oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
D	0032440	molecular_function	2-alkenal reductase [NAD(P)H] activity
D	0035798	molecular_function	2-alkenal reductase (NADPH) activity
D	0036102	biological_process	leukotriene B4 metabolic process
D	0036185	molecular_function	13-lipoxin reductase activity
D	0047522	molecular_function	15-oxoprostaglandin 13-reductase [NAD(P)+] activity
D	0070062	cellular_component	extracellular exosome
D	0097257	molecular_function	leukotriene B4 12-hydroxy dehydrogenase activity
D	2001302	biological_process	lipoxin A4 metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP A 701

Chain	Residue
A	PRO48
A	TYR193
A	ASN217
A	VAL218
A	CYS239
A	GLY240
A	ALA241
A	ILE242
A	SER243
A	TYR245
A	PHE270
A	MET124
A	VAL271
A	VAL272
A	MET316
A	LEU317
A	GLY319
A	ASN321
A	RAL801
A	HOH2091
A	HOH2092
A	HOH2093
A	THR128
A	HOH2094
A	HOH2095
A	HOH2096
A	HOH2097
A	HOH2098
A	HOH2099
A	GLY152
A	ALA153
A	VAL154
A	VAL173
A	GLY174
A	LYS178

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE RAL A 801

Chain	Residue
A	TYR49
A	ARG56
A	SER88
A	TYR273
A	NAP701
A	RAL802
A	CL1333
A	HOH2100
B	VAL77
B	GLU258
B	TYR262

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RAL A 802

Chain	Residue
A	TYR273
A	ARG274
A	RAL801
B	ASN34
B	GLY35
B	LYS75
B	ASN76
B	VAL77
B	ASP98
B	LYS232
B	TYR262
B	GLU264

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1330

Chain	Residue
A	GLN66
A	ALA87
A	SER88

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1331

Chain	Residue
A	LYS231
A	LYS232
A	GLN263

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1332

Chain	Residue
A	LEU127
A	VAL272
A	TYR273
A	TRP275
A	ARG280

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 1333

Chain	Residue
A	RAL801

site_id	AC8
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NAP B 701

Chain	Residue
B	HOH2132
B	HOH2133
B	HOH2134
B	HOH2135
B	HOH2136
B	PRO48
B	MET124
B	THR128
B	GLY152
B	ALA153
B	VAL154
B	VAL173
B	GLY174
B	LYS178
B	TYR193
B	ASN217
B	VAL218
B	CYS239
B	GLY240
B	ILE242
B	SER243
B	TYR245
B	PHE270
B	VAL271
B	VAL272
B	MET316
B	LEU317
B	GLY319
B	ASN321
B	HOH2063
B	HOH2126
B	HOH2128
B	HOH2129
B	HOH2131

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1330

Chain	Residue
B	LYS100
B	LYS232

site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 1331

Chain	Residue
B	LYS289

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 1332

Chain	Residue
B	GLN66
B	ALA87
B	SER88
B	ASP101
B	GLU103

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 1333

Chain	Residue
B	TYR16
B	SER243
B	ASN246
B	ARG247
B	HOH2137
B	HOH2138
C	VAL14
C	THR248

site_id	BC4
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP C 701

Chain	Residue
C	PRO48
C	MET124
C	THR128
C	GLY152
C	ALA153
C	VAL154
C	VAL173
C	GLY174
C	LYS178
C	TYR193
C	ASN217
C	VAL218
C	CYS239
C	GLY240
C	ILE242
C	SER243
C	TYR245
C	PHE270
C	VAL271
C	VAL272
C	MET316
C	LEU317
C	GLY319
C	ASN321
C	HOH2004
C	HOH2078
C	HOH2079
C	HOH2080
C	HOH2081
C	HOH2082
C	HOH2083
C	HOH2084
C	HOH2085
C	HOH2086
C	HOH2087

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 1330

Chain	Residue
C	GLN276
C	GLY277
C	ASP278
C	ALA279

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO C 1331

Chain	Residue
C	LEU86
C	GLU103
C	LEU105
C	LEU106
C	ALA118
C	VAL122
C	GLY123
C	LEU284

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 1332

Chain	Residue
C	SER198
C	LEU199
C	GLU200

site_id	BC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL C 1333

Chain	Residue
C	GLU59

site_id	BC9
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAP D 701

Chain	Residue
D	PRO48
D	MET124
D	THR128
D	GLY152
D	ALA153
D	VAL154
D	VAL173
D	GLY174
D	LYS178
D	TYR193
D	ASN217
D	VAL218
D	CYS239
D	GLY240
D	ILE242
D	SER243
D	TYR245
D	PHE270
D	VAL271
D	VAL272
D	MET316
D	LEU317
D	GLY319
D	ASN321
D	HOH2011
D	HOH2064
D	HOH2103
D	HOH2104
D	HOH2105
D	HOH2106
D	HOH2107
D	HOH2108
D	HOH2109
D	HOH2110
D	HOH2111

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 1330

Chain	Residue
D	GLN66
D	ALA87
D	SER88
D	ASP101
D	GLU103

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 1331

Chain	Residue
D	GLU103
D	LYS104
D	LEU105
D	LEU106
D	VAL122

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	60
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2011","submissionDatabase":"PDB data bank","title":"Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene.","authoringGroup":["Structural genomics consortium (SGC)"]}}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q91YR9","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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