SIMILAR PATTERNS OF AMINO ACIDS FOR 2NO6_A_ETVA302_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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		5 LEU A  22
MET A  21
TYR A  27
ASP A 178
TYR A  43
 None
None
None
FE  A 402 (-2.7A)
None
 1.41A 2no6A-1rcwA:
0.0		 2no6A-1rcwA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		12 ILE A  30
GLU A  53
TRP A  58
LEU A  82
MET A  85
TYR A  86
GLN A  97
ARG A 104
ARG A 128
ASP A 133
PHE A 137
TYR A 204
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
None
 0.63A 2no6A-2a30A:
35.2		 2no6A-2a30A:
92.78
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		6 GLN A  54
ARG A  61
ARG A  78
ASP A  83
PHE A  86
TYR A  43
 DCP  A1202 (-2.9A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.6A)
None
 1.50A 2no6A-2jaqA:
22.2		 2no6A-2jaqA:
25.17
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		7 TYR A  43
GLN A  54
ARG A  61
ARG A  78
ASP A  83
PHE A  86
TYR A 157
 None
DCP  A1202 (-2.9A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.6A)
None
 0.66A 2no6A-2jaqA:
22.2		 2no6A-2jaqA:
25.17
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 ILE A  29
TRP A  57
LEU A  66
MET A  69
TYR A  70
GLN A  81
ARG A 105
PHE A 114
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
None
 0.74A 2no6A-2jcsA:
25.8		 2no6A-2jcsA:
28.87
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.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 ILE A 275
LEU A 231
MET A 237
ARG A  80
ASP A 282
 None
 1.45A 2no6A-2o1bA:
0.6		 2no6A-2o1bA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 ILE A  47
LEU A  96
MET A  99
TYR A 100
GLN A 111
ASP A 147
PHE A 151
TYR A 218
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-4.1A)
DTP  A 301 (-3.3A)
None
 0.95A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ILE A  47
TRP A  75
LEU A  96
ARG A 118
ARG A 142
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
 1.00A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		9 ILE A  47
TRP A  75
LEU A  96
MET A  99
TYR A 100
GLN A 111
ARG A 142
PHE A 151
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-4.6A)
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
None
 0.64A 2no6A-2ocpA:
32.1		 2no6A-2ocpA:
44.68
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.
2y0o PROBABLE D-LYXOSE
KETOL-ISOMERASE

(Bacillus
subtilis) 		no annotation 5 GLU A 150
LEU A  42
MET A  30
TYR A  32
GLN A  28
 ARS  A1176 (-4.1A)
None
None
None
None
 1.22A 2no6A-2y0oA:
undetectable		 2no6A-2y0oA:
19.72
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		5 ILE A 402
TRP A 415
LEU A 166
ARG A 423
PHE A 427
 None
 1.40A 2no6A-3ideA:
0.0		 2no6A-3ideA:
21.74
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 369
LEU A 151
ARG A 419
ASP A 432
TYR A  66
 None
 1.40A 2no6A-3lewA:
undetectable		 2no6A-3lewA:
19.88
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 362
LEU A 221
ARG A 413
ASP A 426
TYR A  59
 None
None
None
None
EDO  A 516 (-4.8A)
 1.42A 2no6A-3myvA:
undetectable		 2no6A-3myvA:
21.35
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.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 ILE A 172
GLU A 123
LEU A 139
ARG A 174
ASP A 179
 GOL  A2006 (-3.9A)
None
None
GOL  A2006 (-4.1A)
None
 1.37A 2no6A-3okyA:
undetectable		 2no6A-3okyA:
17.50
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.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 355
LEU A 151
ARG A 408
ASP A 421
TYR A  69
 None
None
None
None
EDO  A 499 (-4.5A)
 1.32A 2no6A-3snxA:
0.7		 2no6A-3snxA:
21.54
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.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 355
LEU A 229
GLN A 155
ARG A 408
TYR A  69
 None
None
None
None
EDO  A 499 (-4.5A)
 1.08A 2no6A-3snxA:
0.7		 2no6A-3snxA:
21.54
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ILE A  55
TYR A 142
ARG A 226
ARG A 262
PHE A 236
 None
 1.50A 2no6A-4im4A:
undetectable		 2no6A-4im4A:
18.55
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 ILE A 456
GLN A 498
ARG A 433
ASP A 461
PHE A 460
 None
 1.44A 2no6A-4jhzA:
undetectable		 2no6A-4jhzA:
18.41
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.
4u1a ENOYL-COA DELTA
ISOMERASE 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A 281
ARG A 318
ASP A 223
PHE A 222
TYR A 161
 None
 1.29A 2no6A-4u1aA:
undetectable		 2no6A-4u1aA:
25.00
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.
5lnk MITOCHONDRIAL
COMPLEX I, 42 KDA
SUBUNIT

(Ovis aries) 		PF00420
(Oxidored_q2) 		5 ILE k  31
GLN k  97
ARG k 104
ARG k 126
ASP k 131
 None
 1.17A 2no6A-5lnkk:
16.0		 2no6A-5lnkk:
22.38
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.
5lnk MITOCHONDRIAL
COMPLEX I, 42 KDA
SUBUNIT

(Ovis aries) 		PF00420
(Oxidored_q2) 		6 LEU k  79
TYR k  83
GLN k  97
ARG k 104
ARG k 126
ASP k 131
 None
 1.40A 2no6A-5lnkk:
16.0		 2no6A-5lnkk:
22.38
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		6 ILE w  66
LEU w 114
GLN w 132
ARG w 161
ASP w 166
TYR w 233
 None
 0.98A 2no6A-5xtdw:
17.6		 2no6A-5xtdw:
22.29
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		5 ILE w  66
LEU w 114
TYR w 118
ARG w 161
ASP w 166
 None
 1.01A 2no6A-5xtdw:
17.6		 2no6A-5xtdw:
22.29
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A 595
GLU A 676
LEU A 550
TYR A 572
GLN A 620
 None
 1.26A 2no6A-6fhtA:
undetectable		 2no6A-6fhtA:
15.05
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 8 ILE O  31
GLU O  53
LEU O  79
TYR O  83
ARG O 126
ASP O 131
PHE O 134
TYR O 198
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
None
ADP  O 401 (-3.6A)
None
 1.23A 2no6A-6g2jO:
undetectable		 2no6A-6g2jO:
13.93
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 7 ILE O  31
GLU O  53
LEU O  79
TYR O  83
GLN O  97
PHE O 134
TYR O 198
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
None
 1.07A 2no6A-6g2jO:
undetectable		 2no6A-6g2jO:
13.93
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 6 ILE O  31
GLU O  53
TYR O  83
ARG O 104
ARG O 126
ASP O 131
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 (-4.5A)
ADP  O 401 ( 4.3A)
None
 1.27A 2no6A-6g2jO:
undetectable		 2no6A-6g2jO:
13.93