Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1O02

Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
A	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005975	biological_process	carbohydrate metabolic process
A	0006066	biological_process	alcohol metabolic process
A	0006068	biological_process	ethanol catabolic process
A	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
A	0009055	molecular_function	electron transfer activity
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
A	0018547	molecular_function	nitroglycerin reductase activity
A	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
A	0046185	biological_process	aldehyde catabolic process
A	0051287	molecular_function	NAD binding
A	0070062	cellular_component	extracellular exosome
A	0106435	molecular_function	carboxylesterase activity
A	1903179	biological_process	regulation of dopamine biosynthetic process
A	1905627	biological_process	regulation of serotonin biosynthetic process
B	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
B	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005975	biological_process	carbohydrate metabolic process
B	0006066	biological_process	alcohol metabolic process
B	0006068	biological_process	ethanol catabolic process
B	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
B	0009055	molecular_function	electron transfer activity
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0018547	molecular_function	nitroglycerin reductase activity
B	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
B	0046185	biological_process	aldehyde catabolic process
B	0051287	molecular_function	NAD binding
B	0070062	cellular_component	extracellular exosome
B	0106435	molecular_function	carboxylesterase activity
B	1903179	biological_process	regulation of dopamine biosynthetic process
B	1905627	biological_process	regulation of serotonin biosynthetic process
C	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
C	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0005975	biological_process	carbohydrate metabolic process
C	0006066	biological_process	alcohol metabolic process
C	0006068	biological_process	ethanol catabolic process
C	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
C	0009055	molecular_function	electron transfer activity
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0018547	molecular_function	nitroglycerin reductase activity
C	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
C	0046185	biological_process	aldehyde catabolic process
C	0051287	molecular_function	NAD binding
C	0070062	cellular_component	extracellular exosome
C	0106435	molecular_function	carboxylesterase activity
C	1903179	biological_process	regulation of dopamine biosynthetic process
C	1905627	biological_process	regulation of serotonin biosynthetic process
D	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
D	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0005975	biological_process	carbohydrate metabolic process
D	0006066	biological_process	alcohol metabolic process
D	0006068	biological_process	ethanol catabolic process
D	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
D	0009055	molecular_function	electron transfer activity
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0018547	molecular_function	nitroglycerin reductase activity
D	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
D	0046185	biological_process	aldehyde catabolic process
D	0051287	molecular_function	NAD binding
D	0070062	cellular_component	extracellular exosome
D	0106435	molecular_function	carboxylesterase activity
D	1903179	biological_process	regulation of dopamine biosynthetic process
D	1905627	biological_process	regulation of serotonin biosynthetic process
E	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
E	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
E	0005739	cellular_component	mitochondrion
E	0005759	cellular_component	mitochondrial matrix
E	0005975	biological_process	carbohydrate metabolic process
E	0006066	biological_process	alcohol metabolic process
E	0006068	biological_process	ethanol catabolic process
E	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
E	0009055	molecular_function	electron transfer activity
E	0016491	molecular_function	oxidoreductase activity
E	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E	0018547	molecular_function	nitroglycerin reductase activity
E	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
E	0046185	biological_process	aldehyde catabolic process
E	0051287	molecular_function	NAD binding
E	0070062	cellular_component	extracellular exosome
E	0106435	molecular_function	carboxylesterase activity
E	1903179	biological_process	regulation of dopamine biosynthetic process
E	1905627	biological_process	regulation of serotonin biosynthetic process
F	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
F	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
F	0005739	cellular_component	mitochondrion
F	0005759	cellular_component	mitochondrial matrix
F	0005975	biological_process	carbohydrate metabolic process
F	0006066	biological_process	alcohol metabolic process
F	0006068	biological_process	ethanol catabolic process
F	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
F	0009055	molecular_function	electron transfer activity
F	0016491	molecular_function	oxidoreductase activity
F	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F	0018547	molecular_function	nitroglycerin reductase activity
F	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
F	0046185	biological_process	aldehyde catabolic process
F	0051287	molecular_function	NAD binding
F	0070062	cellular_component	extracellular exosome
F	0106435	molecular_function	carboxylesterase activity
F	1903179	biological_process	regulation of dopamine biosynthetic process
F	1905627	biological_process	regulation of serotonin biosynthetic process
G	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
G	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
G	0005739	cellular_component	mitochondrion
G	0005759	cellular_component	mitochondrial matrix
G	0005975	biological_process	carbohydrate metabolic process
G	0006066	biological_process	alcohol metabolic process
G	0006068	biological_process	ethanol catabolic process
G	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
G	0009055	molecular_function	electron transfer activity
G	0016491	molecular_function	oxidoreductase activity
G	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G	0018547	molecular_function	nitroglycerin reductase activity
G	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
G	0046185	biological_process	aldehyde catabolic process
G	0051287	molecular_function	NAD binding
G	0070062	cellular_component	extracellular exosome
G	0106435	molecular_function	carboxylesterase activity
G	1903179	biological_process	regulation of dopamine biosynthetic process
G	1905627	biological_process	regulation of serotonin biosynthetic process
H	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
H	0004030	molecular_function	aldehyde dehydrogenase [NAD(P)+] activity
H	0005739	cellular_component	mitochondrion
H	0005759	cellular_component	mitochondrial matrix
H	0005975	biological_process	carbohydrate metabolic process
H	0006066	biological_process	alcohol metabolic process
H	0006068	biological_process	ethanol catabolic process
H	0008957	molecular_function	phenylacetaldehyde dehydrogenase (NAD+) activity
H	0009055	molecular_function	electron transfer activity
H	0016491	molecular_function	oxidoreductase activity
H	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H	0018547	molecular_function	nitroglycerin reductase activity
H	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
H	0046185	biological_process	aldehyde catabolic process
H	0051287	molecular_function	NAD binding
H	0070062	cellular_component	extracellular exosome
H	0106435	molecular_function	carboxylesterase activity
H	1903179	biological_process	regulation of dopamine biosynthetic process
H	1905627	biological_process	regulation of serotonin biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 4601

Chain	Residue
A	NAI4606
A	HOH4731
A	HOH4733
A	HOH4866
A	HOH4867

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 4602

Chain	Residue
A	HOH4919
A	THR39
A	VAL40
A	ASP109
A	GLN196

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GAI A 4603

Chain	Residue
A	PHE70
A	GLU157
A	PRO158
A	VAL159
A	HOH5100
A	HOH5101
B	TYR468

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI A 4604

Chain	Residue
A	ILE146
A	ASP147
A	PHE150
A	HOH4753
A	HOH4758
B	PHE459

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 4605

Chain	Residue
A	TYR153
A	ARG155
A	HOH5072
B	SER443
D	PHE151

site_id	AC6
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAI A 4606

Chain	Residue
A	ILE165
A	ILE166
A	PRO167
A	TRP168
A	ASN169
A	LYS192
A	GLU195
A	GLY225
A	GLY229
A	ALA230
A	PHE243
A	GLY245
A	SER246
A	ILE249
A	ILE253
A	GLU268
A	LEU269
A	CYS302
A	GLN349
A	GLU399
A	PHE401
A	MG4601
A	HOH4728
A	HOH4729
A	HOH4731
A	HOH4734
A	HOH4735
A	HOH4738
A	HOH4851
A	HOH4866
A	HOH4867
A	HOH5114

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 601

Chain	Residue
B	NAI606
B	HOH785
B	HOH786
B	HOH787
B	HOH788

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA B 602

Chain	Residue
B	THR39
B	VAL40
B	ASP109
B	GLN196
B	HOH797

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GAI B 603

Chain	Residue
A	TYR468
B	GLU157
B	PRO158
B	VAL159
B	HOH751
B	HOH996
B	HOH998

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI B 604

Chain	Residue
A	PHE459
A	HOH4898
B	ILE146
B	ASP147
B	PHE150
B	HOH1043

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 605

Chain	Residue
A	SER443
B	TYR153
B	ARG155
C	PHE151

site_id	BC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAI B 606

Chain	Residue
B	GLY245
B	SER246
B	ILE249
B	ILE253
B	GLU268
B	LEU269
B	CYS302
B	GLN349
B	GLU399
B	PHE401
B	MG601
B	HOH713
B	HOH775
B	HOH776
B	HOH785
B	HOH786
B	HOH788
B	HOH790
B	HOH1099
B	HOH1100
B	HOH1196
B	ILE165
B	ILE166
B	PRO167
B	TRP168
B	ASN169
B	LYS192
B	GLU195
B	GLY225
B	PRO226
B	GLY229
B	ALA230
B	PHE243

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 601

Chain	Residue
C	NAI606
C	HOH1039
C	HOH1040
C	HOH1066
C	HOH1067

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA C 602

Chain	Residue
C	THR39
C	VAL40
C	ASP109
C	GLN196
C	HOH1056

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GAI C 603

Chain	Residue
C	GLU157
C	PRO158
C	VAL159
C	HOH721
D	TYR468

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI C 604

Chain	Residue
C	ASP147
C	PHE150
C	HOH865
C	HOH870
D	PHE459
D	HOH1006

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 605

Chain	Residue
B	PHE151
C	TYR153
C	ARG155
D	SER443

site_id	BC9
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NAI C 606

Chain	Residue
C	ILE165
C	ILE166
C	PRO167
C	TRP168
C	ASN169
C	LYS192
C	ALA194
C	GLU195
C	GLN196
C	GLY225
C	GLY229
C	ALA230
C	PHE243
C	GLY245
C	SER246
C	ILE249
C	ILE253
C	GLU268
C	LEU269
C	CYS302
C	GLN349
C	LYS352
C	GLU399
C	PHE401
C	MG601
C	HOH969
C	HOH971
C	HOH1038
C	HOH1039
C	HOH1051
C	HOH1052
C	HOH1066
C	HOH1067
C	HOH1068

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 601

Chain	Residue
D	NAI606
D	HOH717
D	HOH718
D	HOH719
D	HOH720

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 602

Chain	Residue
D	THR39
D	VAL40
D	ASP109
D	GLN196
D	HOH1118
D	HOH1119

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GAI D 603

Chain	Residue
C	TYR468
D	GLU157
D	PRO158
D	VAL159

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GAI D 604

Chain	Residue
C	PHE459
C	HOH754
D	ILE146
D	ASP147
D	PHE150

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 605

Chain	Residue
A	PHE151
C	SER443
D	TYR153
D	ARG155

site_id	CC6
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAI D 606

Chain	Residue
D	ILE165
D	ILE166
D	PRO167
D	TRP168
D	ASN169
D	LYS192
D	GLU195
D	GLY225
D	GLY229
D	ALA230
D	PHE243
D	GLY245
D	SER246
D	ILE249
D	ILE253
D	GLU268
D	LEU269
D	CYS302
D	GLN349
D	LYS352
D	GLU399
D	PHE401
D	MG601
D	HOH715
D	HOH717
D	HOH718
D	HOH721
D	HOH722
D	HOH729
D	HOH1024
D	HOH1079

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 601

Chain	Residue
E	NAI606
E	HOH787
E	HOH788
E	HOH920
E	HOH921

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA E 602

Chain	Residue
E	THR39
E	VAL40
E	ASP109
E	GLN196
E	HOH1084

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GAI E 603

Chain	Residue
E	GLU157
E	PRO158
E	VAL159
F	TYR468

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GAI E 604

Chain	Residue
E	ASP147
E	PHE150
F	PHE459
F	HOH1132

site_id	DC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO E 605

Chain	Residue
E	TYR153
E	ARG155
E	HOH1008
F	SER443
H	PHE151

site_id	DC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAI E 606

Chain	Residue
E	ILE165
E	ILE166
E	PRO167
E	TRP168
E	ASN169
E	LYS192
E	GLU195
E	GLN196
E	GLY225
E	GLY229
E	ALA230
E	PHE243
E	GLY245
E	SER246
E	ILE249
E	ILE253
E	GLU268
E	LEU269
E	CYS302
E	GLN349
E	GLU399
E	PHE401
E	MG601
E	HOH782
E	HOH783
E	HOH787
E	HOH789
E	HOH790
E	HOH792
E	HOH920
E	HOH921
E	HOH923
E	HOH1107

site_id	DC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG F 601

Chain	Residue
F	NAI607
F	HOH783
F	HOH784
F	HOH816
F	HOH817

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA F 602

Chain	Residue
F	THR39
F	VAL40
F	ASP109
F	GLN196
F	HOH1017

site_id	DC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI F 603

Chain	Residue
E	TYR468
F	GLU157
F	PRO158
F	VAL159
F	HOH739
F	HOH740

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GAI F 604

Chain	Residue
E	PHE459
E	HOH1048
F	ILE146
F	ASP147
F	PHE150

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO F 605

Chain	Residue
E	SER443
F	TYR153
F	ARG155
G	PHE151

site_id	DC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO F 606

Chain	Residue
F	PHE151
F	HOH907
G	TYR153
G	ARG155
H	SER443

site_id	EC1
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAI F 607

Chain	Residue
F	ILE165
F	ILE166
F	PRO167
F	TRP168
F	ASN169
F	LYS192
F	GLU195
F	GLN196
F	GLY225
F	PRO226
F	GLY229
F	ALA230
F	PHE243
F	GLY245
F	SER246
F	ILE249
F	ILE253
F	GLU268
F	LEU269
F	CYS302
F	GLN349
F	LYS352
F	GLU399
F	PHE401
F	MG601
F	HOH777
F	HOH781
F	HOH782
F	HOH784
F	HOH786
F	HOH804
F	HOH805
F	HOH816
F	HOH817
F	HOH980

site_id	EC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G 601

Chain	Residue
G	NAI606
G	HOH706
G	HOH707
G	HOH708
G	HOH709

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA G 602

Chain	Residue
G	THR39
G	VAL40
G	ASP109
G	GLN196
G	HOH718

site_id	EC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI G 603

Chain	Residue
G	GLU157
G	PRO158
G	VAL159
G	HOH1103
G	HOH1104
H	TYR468

site_id	EC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI G 604

Chain	Residue
G	ILE146
G	ASP147
G	PHE150
G	HOH1056
H	PHE459
H	HOH935

site_id	EC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GAI G 605

Chain	Residue
G	PHE459
G	HOH1012
H	ILE146
H	ASP147
H	PHE150

site_id	EC7
Number of Residues	35
Details	BINDING SITE FOR RESIDUE NAI G 606

Chain	Residue
G	ILE165
G	ILE166
G	PRO167
G	TRP168
G	ASN169
G	LYS192
G	ALA194
G	GLU195
G	GLY225
G	GLY229
G	ALA230
G	PHE243
G	GLY245
G	SER246
G	ILE249
G	ILE253
G	GLU268
G	LEU269
G	CYS302
G	GLN349
G	LYS352
G	GLU399
G	PHE401
G	MG601
G	HOH704
G	HOH705
G	HOH707
G	HOH708
G	HOH709
G	HOH710
G	HOH711
G	HOH736
G	HOH737
G	HOH845
G	HOH1097

site_id	EC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG H 601

Chain	Residue
H	NAI605
H	HOH763
H	HOH768
H	HOH769
H	HOH770

site_id	EC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA H 602

Chain	Residue
H	THR39
H	VAL40
H	ASP109
H	GLN196
H	HOH753

site_id	FC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GAI H 603

Chain	Residue
G	TYR468
H	GLU157
H	PRO158
H	VAL159
H	HOH850
H	HOH851

site_id	FC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO H 604

Chain	Residue
E	PHE151
G	SER443
H	TYR153
H	ARG155

site_id	FC3
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAI H 605

Chain	Residue
H	ILE165
H	ILE166
H	PRO167
H	TRP168
H	ASN169
H	LYS192
H	ALA194
H	GLU195
H	GLN196
H	GLY225
H	GLY229
H	ALA230
H	PHE243
H	GLY245
H	SER246
H	ILE249
H	ILE253
H	GLU268
H	LEU269
H	CYS302
H	GLN349
H	GLU399
H	PHE401
H	MG601
H	HOH724
H	HOH725
H	HOH762
H	HOH763
H	HOH765
H	HOH767
H	HOH771
H	HOH773
H	HOH793

Functional Information from PROSITE/UniProt

site_id	PS00070
Number of Residues	12
Details	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfNQGQCCCAGS

Chain	Residue	Details
A	PHE295-SER306

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGKSP

Chain	Residue	Details
A	LEU267-PRO274

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	GLU268
B	GLU268
C	GLU268
D	GLU268
E	GLU268
F	GLU268
G	GLU268
H	GLU268

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Nucleophile

Chain	Residue	Details
A	CYS302
B	CYS302
C	CYS302
D	CYS302
E	CYS302
F	CYS302
G	CYS302
H	CYS302

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	GLY245
B	GLY245
C	GLY245
D	GLY245
E	GLY245
F	GLY245
G	GLY245
H	GLY245

site_id	SWS_FT_FI4
Number of Residues	8
Details	SITE: Transition state stabilizer => ECO:0000250\|UniProtKB:P20000

Chain	Residue	Details
A	ASN169
B	ASN169
C	ASN169
D	ASN169
E	ASN169
F	ASN169
G	ASN169
H	ASN169

site_id	SWS_FT_FI5
Number of Residues	72
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:P47738

Chain	Residue	Details
A	LYS35
B	LYS35
B	LYS56
B	LYS61
B	LYS142
B	LYS351
B	LYS366
B	LYS409
B	LYS411
B	LYS434
C	LYS35
A	LYS56
C	LYS56
C	LYS61
C	LYS142
C	LYS351
C	LYS366
C	LYS409
C	LYS411
C	LYS434
D	LYS35
D	LYS56
A	LYS61
D	LYS61
D	LYS142
D	LYS351
D	LYS366
D	LYS409
D	LYS411
D	LYS434
E	LYS35
E	LYS56
E	LYS61
A	LYS142
E	LYS142
E	LYS351
E	LYS366
E	LYS409
E	LYS411
E	LYS434
F	LYS35
F	LYS56
F	LYS61
F	LYS142
A	LYS351
F	LYS351
F	LYS366
F	LYS409
F	LYS411
F	LYS434
G	LYS35
G	LYS56
G	LYS61
G	LYS142
G	LYS351
A	LYS366
G	LYS366
G	LYS409
G	LYS411
G	LYS434
H	LYS35
H	LYS56
H	LYS61
H	LYS142
H	LYS351
H	LYS366
A	LYS409
H	LYS409
H	LYS411
H	LYS434
A	LYS411
A	LYS434

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
A	CYS302
A	GLU268
A	ASN169

site_id	CSA10
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
B	CYS302
B	LYS192
B	GLU268
B	GLU399

site_id	CSA11
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
C	CYS302
C	LYS192
C	GLU268
C	GLU399

site_id	CSA12
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
D	CYS302
D	LYS192
D	GLU268
D	GLU399

site_id	CSA13
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
E	CYS302
E	LYS192
E	GLU268
E	GLU399

site_id	CSA14
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
F	CYS302
F	LYS192
F	GLU268
F	GLU399

site_id	CSA15
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
G	CYS302
G	LYS192
G	GLU268
G	GLU399

site_id	CSA16
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
H	CYS302
H	LYS192
H	GLU268
H	GLU399

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
B	CYS302
B	GLU268
B	ASN169

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
C	CYS302
C	GLU268
C	ASN169

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
D	CYS302
D	GLU268
D	ASN169

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
E	CYS302
E	GLU268
E	ASN169

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
F	CYS302
F	GLU268
F	ASN169

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
G	CYS302
G	GLU268
G	ASN169

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
H	CYS302
H	GLU268
H	ASN169

site_id	CSA9
Number of Residues	4
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
A	CYS302
A	LYS192
A	GLU268
A	GLU399

site_id	MCSA1
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
A	LYS192	electrostatic stabiliser
A	GLU268	electrostatic stabiliser, proton acceptor, proton donor
A	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
A	GLU399	electrostatic stabiliser

site_id	MCSA2
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
B	LYS192	electrostatic stabiliser
B	GLU268	electrostatic stabiliser, proton acceptor, proton donor
B	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
B	GLU399	electrostatic stabiliser

site_id	MCSA3
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
C	LYS192	electrostatic stabiliser
C	GLU268	electrostatic stabiliser, proton acceptor, proton donor
C	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
C	GLU399	electrostatic stabiliser

site_id	MCSA4
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
D	LYS192	electrostatic stabiliser
D	GLU268	electrostatic stabiliser, proton acceptor, proton donor
D	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
D	GLU399	electrostatic stabiliser

site_id	MCSA5
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
E	LYS192	electrostatic stabiliser
E	GLU268	electrostatic stabiliser, proton acceptor, proton donor
E	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
E	GLU399	electrostatic stabiliser

site_id	MCSA6
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
F	LYS192	electrostatic stabiliser
F	GLU268	electrostatic stabiliser, proton acceptor, proton donor
F	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
F	GLU399	electrostatic stabiliser

site_id	MCSA7
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
G	LYS192	electrostatic stabiliser
G	GLU268	electrostatic stabiliser, proton acceptor, proton donor
G	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
G	GLU399	electrostatic stabiliser

site_id	MCSA8
Number of Residues	4
Details	M-CSA 803

Chain	Residue	Details
H	LYS192	electrostatic stabiliser
H	GLU268	electrostatic stabiliser, proton acceptor, proton donor
H	CYS302	covalently attached, electrostatic stabiliser, nucleofuge, nucleophile, proton acceptor, proton donor
H	GLU399	electrostatic stabiliser

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