SIMILAR PATTERNS OF AMINO ACIDS FOR 3NJZ_A_SALA370_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS A2675
HIS A2671
HIS A2702
HIS A2543
ILE A2669
 CUO  A 888 (-3.3A)
CUO  A 888 (-3.4A)
CUO  A 888 (-3.3A)
CUO  A 888 (-3.4A)
None
 1.49A 3njzA-1js8A:
0.0		 3njzA-1js8A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 300
HIS A 101
HIS A 163
HIS A 980
ILE A 170
 None
CU  A1052 (-3.2A)
CU  A1050 (-3.3A)
CU  A1050 (-3.0A)
None
 1.40A 3njzA-1kcwA:
0.0		 3njzA-1kcwA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A  44
ALA A  45
HIS A 368
LEU A 277
ILE A  10
 SO4  A3001 (-3.9A)
None
SO4  A3001 (-4.1A)
SO4  A3001 (-4.6A)
None
 1.25A 3njzA-1wl4A:
0.0		 3njzA-1wl4A:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 GLN A  93
HIS A 104
ARG A 112
HIS A 147
ASP A 159
 None
FE  A1001 (-3.2A)
None
None
None
 1.43A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		6 GLN A  93
HIS A 104
HIS A 106
HIS A 145
ASP A 159
LEU A 161
 None
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
None
None
 0.59A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 GLN A  93
HIS A 145
HIS A 106
ASP A 159
LEU A 161
 None
FE  A1001 (-3.4A)
FE  A1001 (-3.3A)
None
None
 1.40A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 HIS A 194
HIS A 855
HIS A 849
ASP A 223
ILE A 217
 MD1  A1987 (-3.9A)
MGD  A1986 ( 3.6A)
MGD  A1986 (-3.6A)
MO  A1985 ( 2.5A)
None
 1.31A 3njzA-2ivfA:
0.0		 3njzA-2ivfA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 ALA A 280
HIS A 235
HIS A 150
HIS A  69
LEU A 202
 MET  A 600 (-3.4A)
MET  A 600 (-4.4A)
MET  A 600 (-4.1A)
MG  A 500 (-3.6A)
MET  A 600 (-3.7A)
 1.25A 3njzA-2qs8A:
0.0		 3njzA-2qs8A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 GLN A 180
HIS A 263
ARG A  25
HIS A 221
LEU A 138
 None
 1.33A 3njzA-2waaA:
1.4		 3njzA-2waaA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 GLN A  91
ARG A 257
HIS A  95
ASP A 259
ILE A 264
 None
 1.16A 3njzA-2xh1A:
undetectable		 3njzA-2xh1A:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		6 GLN A 108
HIS A 119
HIS A 121
ASP A 175
LEU A 177
ILE A 179
 None
FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
None
None
None
 0.76A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 GLN A 279
HIS A 290
HIS A 292
HIS A 330
HIS A 332
 None
FE2  A 500 (-3.5A)
FE2  A 500 (-3.5A)
FE2  A 500 (-3.4A)
None
 0.41A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		7 HIS A 119
HIS A 121
HIS A 160
HIS A 162
ASP A 175
LEU A 177
ILE A 179
 FE2  A 400 (-3.6A)
FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
None
None
None
 0.64A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		5 HIS A 160
HIS A 121
ASP A 175
LEU A 177
ILE A 179
 FE2  A 400 (-3.4A)
FE2  A 400 (-3.4A)
None
None
None
 1.39A 3njzA-3bu7A:
39.9		 3njzA-3bu7A:
31.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 HIS A1163
HIS A1098
HIS A1092
HIS A 546
ILE A 191
 MD1  A1245 (-3.4A)
MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-4.0A)
None
 1.30A 3njzA-3egwA:
undetectable		 3njzA-3egwA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		5 ARG A1273
GLN A 355
ARG A 354
LEU A1096
ILE A1092
 None
 1.49A 3njzA-3f5fA:
undetectable		 3njzA-3f5fA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k25 SLR1438 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01263
(Aldose_epim) 		5 ALA A 209
GLN A 187
HIS A  91
HIS A 164
ASP A 207
 None
 1.36A 3njzA-3k25A:
undetectable		 3njzA-3k25A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 HIS A  51
ARG A 257
HIS A  49
ASP A 262
ILE A  17
 ZN  A 501 (-3.4A)
UNL  A 502 ( 2.6A)
ZN  A 501 (-3.4A)
UNL  A 503 ( 3.5A)
None
 1.46A 3njzA-3lotA:
undetectable		 3njzA-3lotA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		5 ALA A 204
HIS A  49
HIS A  47
ASP A 230
ILE A 174
 None
ZN  A 275 (-3.3A)
ZN  A 275 (-3.3A)
None
None
 1.36A 3njzA-3no5A:
undetectable		 3njzA-3no5A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 GLN A  10
HIS A  51
HIS A  57
HIS A  71
ASP A   8
 None
FE2  A 188 (-3.5A)
FE2  A 188 (-3.5A)
FE2  A 188 (-3.4A)
None
 1.41A 3njzA-3pl1A:
undetectable		 3njzA-3pl1A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dll 2-HYDROXY-3-OXOPROPI
ONATE REDUCTASE

(Polaromonas sp.
JS666) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 260
GLN A 306
ARG A 250
HIS A 247
ASP A 305
 None
 1.45A 3njzA-4dllA:
undetectable		 3njzA-4dllA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		5 GLN A 108
HIS A 119
ARG A 127
HIS A 160
ASP A 174
 None
FE  A 401 (-3.2A)
None
FE  A 401 (-3.3A)
None
 1.34A 3njzA-4fahA:
49.2		 3njzA-4fahA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		5 GLN A 108
HIS A 119
ARG A 127
HIS A 162
ASP A 174
 None
FE  A 401 (-3.2A)
None
None
None
 1.34A 3njzA-4fahA:
49.2		 3njzA-4fahA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		5 GLN A 108
HIS A 119
ARG A 127
HIS A 162
ASP A 174
 None
FE  A 401 (-3.2A)
None
None
None
 1.49A 3njzA-4fahA:
49.2		 3njzA-4fahA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		5 HIS A 160
HIS A 121
ASP A 174
LEU A 176
ILE A 178
 FE  A 401 (-3.3A)
FE  A 401 (-3.4A)
None
None
None
 1.43A 3njzA-4fahA:
49.2		 3njzA-4fahA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		8 TRP A 104
GLN A 108
HIS A 119
HIS A 121
HIS A 160
ASP A 174
LEU A 176
ILE A 178
 None
None
FE  A 401 (-3.2A)
FE  A 401 (-3.4A)
FE  A 401 (-3.3A)
None
None
None
 0.72A 3njzA-4fahA:
49.2		 3njzA-4fahA:
99.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0j NON-STRUCTURAL
PROTEIN 2

(Rotavirus A) 		PF02509
(Rota_NS35) 		5 ARG A 227
ARG A 240
HIS A 237
HIS A 221
ILE A 179
 None
 1.47A 3njzA-4g0jA:
undetectable		 3njzA-4g0jA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rer 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		5 HIS G 151
HIS G 169
HIS G 298
ASP G 317
ILE G 146
 AMP  G 401 ( 3.4A)
None
AMP  G 403 ( 3.9A)
AMP  G 403 (-2.9A)
None
 1.31A 3njzA-4rerG:
undetectable		 3njzA-4rerG:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 HIS A 268
HIS A 244
HIS A 248
ASP A 120
ILE A 105
 None
ZN  A 402 (-3.3A)
None
None
None
 1.48A 3njzA-4xukA:
undetectable		 3njzA-4xukA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 349
HIS A 330
HIS A 345
HIS A 244
LEU A 281
 ZN  A 401 (-3.2A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.5A)
ZN  A 402 (-3.7A)
None
 1.24A 3njzA-4zr0A:
undetectable		 3njzA-4zr0A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkq DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13541
(ChlI) 		5 ARG A 341
ALA A 342
GLN A 445
LEU A 393
ILE A 334
 None
 1.17A 3njzA-5lkqA:
undetectable		 3njzA-5lkqA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u9e HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR RHAR

(Bacteria
Latreille et
al. 1825) 		no annotation 5 HIS A  34
HIS A  36
HIS A  74
HIS A  51
ILE A  88
 NI  A 202 ( 3.4A)
NI  A 202 ( 3.3A)
NI  A 202 ( 3.3A)
None
RM4  A 201 (-4.2A)
 1.25A 3njzA-5u9eA:
4.7		 3njzA-5u9eA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C) 		no annotation 5 ARG 2 846
ALA 2 850
HIS 2 246
LEU 2 160
ILE 2 243
 None
 1.21A 3njzA-5zvs2:
undetectable		 3njzA-5zvs2:
12.74