SIMILAR PATTERNS OF AMINO ACIDS FOR 2O7O_A_DXTA222_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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 SER A 246
HIS A 276
PRO A 275
VAL A 221
GLN A 219
 None
 1.34A 2o7oA-1ck7A:
0.1		 2o7oA-1ck7A:
15.07
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A1546
PRO A1545
VAL A1304
ILE A1316
SER A1310
 None
 1.30A 2o7oA-1e6yA:
undetectable		 2o7oA-1e6yA:
18.15
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 PHE A 405
PRO A 343
THR A 398
VAL A 419
SER A 412
 None
 1.29A 2o7oA-1gkrA:
1.1		 2o7oA-1gkrA:
20.00
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.
1jcu CONSERVED PROTEIN
MTH1692

(Methanothermobacter
thermautotrophicus) 		PF01300
(Sua5_yciO_yrdC) 		5 SER A  65
THR A  97
VAL A  98
ILE A  74
SER A  78
 None
 1.44A 2o7oA-1jcuA:
undetectable		 2o7oA-1jcuA:
21.93
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.
1ltl DNA REPLICATION
INITIATOR
(CDC21/CDC54)

(Methanothermobacter
thermautotrophicus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 SER A 144
PRO A 151
VAL A 141
GLN A 143
ILE A 148
 None
 1.48A 2o7oA-1ltlA:
0.9		 2o7oA-1ltlA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
SER A 138
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.65A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
THR A 112
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 0.65A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
 0.69A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
THR A 112
VAL A 113
GLN A 116
ILE A 134
 None
 0.72A 2o7oA-1qpiA:
24.9		 2o7oA-1qpiA:
100.00
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 SER A 305
PRO A 325
THR A 303
VAL A 302
ILE A 128
 None
 1.28A 2o7oA-1tjyA:
0.1		 2o7oA-1tjyA:
20.94
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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.27A 2o7oA-1x25A:
undetectable		 2o7oA-1x25A:
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.
2fu0 CYCLOPHILIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 SER A  20
PHE A 123
THR A 127
VAL A 126
ILE A  10
 None
 1.44A 2o7oA-2fu0A:
undetectable		 2o7oA-2fu0A:
14.49
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.17A 2o7oA-2icsA:
0.0		 2o7oA-2icsA:
20.39
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.
2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE

(Aneurinibacillus
thermoaerophilus) 		PF16363
(GDP_Man_Dehyd) 		5 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
 GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
 1.42A 2o7oA-2pk3A:
undetectable		 2o7oA-2pk3A:
20.68
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 SER A 147
ARG A 366
THR A 376
VAL A 377
ILE A 223
 None
 1.48A 2o7oA-3a1iA:
1.1		 2o7oA-3a1iA:
18.16
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.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 ASN A 140
PHE A  99
PRO A 202
THR A  22
VAL A  24
 None
 1.45A 2o7oA-3fkdA:
undetectable		 2o7oA-3fkdA:
22.22
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ASN A 359
ARG B  46
THR B 118
VAL B 119
SER A 363
 None
 1.38A 2o7oA-3h1lA:
undetectable		 2o7oA-3h1lA:
18.39
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.
3kg5 B-CELL ANTIGEN
RECEPTOR
COMPLEX-ASSOCIATED
PROTEIN BETA CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 SER A  69
ASN A  68
VAL A  74
GLN A 124
ILE A  46
 None
 1.41A 2o7oA-3kg5A:
undetectable		 2o7oA-3kg5A:
19.90
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 PHE A 571
PRO A 521
THR A 621
VAL A 620
ILE A 617
 None
 1.19A 2o7oA-3lk6A:
0.5		 2o7oA-3lk6A:
15.64
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		5 SER A 102
ARG A  75
VAL A  95
GLN A  94
SER A  41
 None
 1.42A 2o7oA-3lm7A:
undetectable		 2o7oA-3lm7A:
23.60
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 HIS A 302
SER A 214
ASN A 224
ARG A 291
VAL A 245
 None
 1.43A 2o7oA-3s2jA:
undetectable		 2o7oA-3s2jA:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.4A)
MIY  A1204 ( 4.7A)
MIY  A1204 (-2.8A)
 0.50A 2o7oA-4ac0A:
26.1		 2o7oA-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
MIY  A1204 ( 4.7A)
 0.93A 2o7oA-4ac0A:
26.1		 2o7oA-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
GLN A 116
 None
 0.87A 2o7oA-4d5cA:
26.1		 2o7oA-4d5cA:
59.81
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 369
PHE A 366
HIS A 361
THR A 171
ILE A 358
 None
 1.45A 2o7oA-4ewtA:
0.9		 2o7oA-4ewtA:
20.67
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 ASN A 493
ARG A 447
PRO A 469
THR A 466
VAL A 467
 None
 1.05A 2o7oA-4qjyA:
undetectable		 2o7oA-4qjyA:
16.19
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.
4ytw MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
35
PROTEIN UPS1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF04707
(PRELI)
PF05254
(UPF0203) 		5 SER B  41
ASN B  43
PRO A  74
THR B  53
VAL B  81
 None
 1.28A 2o7oA-4ytwB:
undetectable		 2o7oA-4ytwB:
20.63
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		5 HIS A 167
SER A 163
HIS A 148
THR A 161
ILE A 178
 None
 1.49A 2o7oA-4zhtA:
undetectable		 2o7oA-4zhtA:
19.71
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2
RNP (RRM RNA BINDING
DOMAIN) CONTAINING

(Caenorhabditis
elegans) 		PF03828
(PAP_assoc)
no annotation 		5 SER A 595
ASN A 598
PHE A 600
ILE E 214
SER A 687
 SO4  A1001 ( 2.4A)
EDO  A1005 (-3.7A)
None
None
None
 1.26A 2o7oA-5jnbA:
undetectable		 2o7oA-5jnbA:
20.06
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.
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa sp.
PS) 		PF00211
(Guanylate_cyc) 		5 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
 None
None
IOD  A 403 ( 4.9A)
None
None
 1.33A 2o7oA-5mbgA:
undetectable		 2o7oA-5mbgA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 5 HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
 1.39A 2o7oA-5mruA:
23.8		 2o7oA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 9 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
 0.66A 2o7oA-5mruA:
23.8		 2o7oA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 9 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
SER A 138
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.72A 2o7oA-5mruA:
23.8		 2o7oA-5mruA:
47.57
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 HIS A 401
HIS A 399
ARG A  76
ILE A 233
SER A 225
 None
None
FMT  A 607 (-3.6A)
None
None
 1.26A 2o7oA-5odoA:
undetectable		 2o7oA-5odoA:
17.42
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.
5u9z PHOSPHOGLYCEROL
TRANSFERASE

(Streptococcus
pyogenes) 		no annotation 5 HIS A 762
SER A 738
ASN A 742
VAL A 706
ILE A 512
 None
 1.40A 2o7oA-5u9zA:
undetectable		 2o7oA-5u9zA:
16.28
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.
5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 HIS A 251
ASN A 184
THR A  91
VAL A  87
ILE A 175
 None
None
DU1  A1201 (-3.7A)
DU1  A1201 (-4.7A)
None
 1.42A 2o7oA-5uenA:
0.0		 2o7oA-5uenA:
20.21
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.
5uke INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 3

(Homo sapiens) 		no annotation 5 SER A  17
ASN A 109
PRO A 116
THR A  20
ILE A  88
 None
 1.36A 2o7oA-5ukeA:
undetectable		 2o7oA-5ukeA:
18.45