SIMILAR PATTERNS OF AMINO ACIDS FOR 1AQB_A_RTLA185_0

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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 236
ALA A 357
VAL A 219
TYR A 352
LEU A 245
 None
 1.41A 1aqbA-1h0hA:
0.0		 1aqbA-1h0hA:
11.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		10 LEU A  35
ALA A  55
VAL A  61
MET A  73
MET A  88
TYR A  90
LEU A  97
GLN A  98
HIS A 104
PHE A 135
 RTL  A 176 (-4.5A)
RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 4.0A)
RTL  A 176 (-3.4A)
RTL  A 176 ( 4.0A)
RTL  A 176 (-4.0A)
RTL  A 176 (-3.8A)
RTL  A 176 ( 4.7A)
RTL  A 176 ( 4.2A)
 0.36A 1aqbA-1iiuA:
32.8		 1aqbA-1iiuA:
80.90
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.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A  21
ALA A 173
VAL A  27
MET A 247
PHE A  80
 None
 1.42A 1aqbA-1lrkA:
0.0		 1aqbA-1lrkA:
17.94
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.
1u2q LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE

(Mycobacterium
tuberculosis) 		PF01451
(LMWPc) 		5 LEU A  29
ALA A  59
VAL A  40
TYR A  67
GLN A  28
 None
 1.45A 1aqbA-1u2qA:
undetectable		 1aqbA-1u2qA:
23.04
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.
1vrb PUTATIVE ASPARAGINYL
HYDROXYLASE

(Bacillus
subtilis) 		PF08007
(Cupin_4) 		5 LEU A 233
LEU A 235
GLN A 155
HIS A 224
PHE A 142
 None
None
None
FE  A 555 (-3.5A)
None
 1.40A 1aqbA-1vrbA:
0.0		 1aqbA-1vrbA:
17.54
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 LEU A 133
ALA A 110
VAL A 166
LEU A 140
HIS A 101
 None
 1.37A 1aqbA-2hufA:
0.0		 1aqbA-2hufA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		9 ALA A  55
VAL A  61
MET A  73
MET A  88
TYR A  90
LEU A  97
GLN A  98
HIS A 104
PHE A 135
 OLA  A1179 (-3.5A)
None
OLA  A1179 ( 4.9A)
OLA  A1179 ( 3.8A)
OLA  A1179 (-3.7A)
None
None
OLA  A1179 (-4.5A)
OLA  A1179 (-4.3A)
 0.62A 1aqbA-2wq9A:
31.5		 1aqbA-2wq9A:
93.68
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.
2xk9 CHECKPOINT KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 460
VAL A 463
TYR A 424
LEU A 421
PHE A 427
 None
 1.42A 1aqbA-2xk9A:
0.0		 1aqbA-2xk9A:
18.60
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.
2ych COMPETENCE PROTEIN
PILM

(Thermus
thermophilus) 		PF11104
(PilM_2) 		5 LEU A 208
ALA A 365
VAL A 195
TYR A 179
LEU A 181
 None
 1.40A 1aqbA-2ychA:
0.0		 1aqbA-2ychA:
17.72
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 LEU A 174
MET A 285
LEU A 188
GLN A 185
HIS A 286
 None
 1.47A 1aqbA-2yg6A:
undetectable		 1aqbA-2yg6A:
17.14
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.
3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 ALA A 243
MET A 334
LEU A 329
GLN A 304
PHE A 247
 None
 1.42A 1aqbA-3aeuA:
undetectable		 1aqbA-3aeuA:
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.
3doj DEHYDROGENASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 127
VAL A 173
MET A  63
LEU A 135
PHE A 231
 None
 1.34A 1aqbA-3dojA:
undetectable		 1aqbA-3dojA:
18.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		6 ALA A  55
MET A  88
TYR A  90
GLN A  98
HIS A 104
PHE A 135
 2T1  A 184 ( 4.3A)
2T1  A 184 (-3.1A)
2T1  A 184 (-3.8A)
2T1  A 184 (-3.0A)
2T1  A 184 (-3.7A)
2T1  A 184 (-4.8A)
 0.65A 1aqbA-3fmzA:
30.2		 1aqbA-3fmzA:
92.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		7 LEU A  35
ALA A  55
VAL A  61
MET A  88
TYR A  90
HIS A 104
PHE A 135
 2T1  A 184 (-4.0A)
2T1  A 184 ( 4.3A)
None
2T1  A 184 (-3.1A)
2T1  A 184 (-3.8A)
2T1  A 184 (-3.7A)
2T1  A 184 (-4.8A)
 0.74A 1aqbA-3fmzA:
30.2		 1aqbA-3fmzA:
92.90
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.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 136
ALA A 145
TYR A 270
LEU A 130
GLN A 131
 None
NAD  A 400 ( 4.7A)
None
None
None
 1.23A 1aqbA-3gvhA:
undetectable		 1aqbA-3gvhA:
19.33
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 LEU A 460
VAL A 463
TYR A 424
LEU A 421
PHE A 427
 None
 1.39A 1aqbA-3i6uA:
undetectable		 1aqbA-3i6uA:
16.90
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.
3i9w SENSOR PROTEIN TORS

(Escherichia
coli) 		no annotation 5 LEU A 144
VAL A 249
TYR A 189
LEU A 196
GLN A 148
 None
 1.38A 1aqbA-3i9wA:
undetectable		 1aqbA-3i9wA:
19.33
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.
3nat UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF11217
(DUF3013) 		5 LEU A 133
VAL A  38
MET A 143
TYR A 107
LEU A  69
 None
 1.45A 1aqbA-3natA:
undetectable		 1aqbA-3natA:
25.53
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 301
VAL A 296
GLN A 281
HIS A 220
PHE A 197
 None
None
None
LLP  A 219 ( 4.8A)
None
 1.20A 1aqbA-3ndnA:
undetectable		 1aqbA-3ndnA:
19.21
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		5 LEU B  63
ALA B 453
MET B 393
LEU B  32
GLN B  30
 None
None
None
None
HEM  B 801 (-3.5A)
 1.15A 1aqbA-3o0rB:
undetectable		 1aqbA-3o0rB:
15.42
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 ALA B 243
VAL B 419
MET B 248
TYR B 252
LEU B 375
 None
 1.49A 1aqbA-3p8cB:
undetectable		 1aqbA-3p8cB:
10.56
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 LEU A 176
MET A 286
LEU A 190
GLN A 187
HIS A 287
 None
 1.45A 1aqbA-3rhaA:
undetectable		 1aqbA-3rhaA:
18.79
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 322
ALA A 394
MET A 333
LEU A  48
PHE A 343
 None
 1.31A 1aqbA-3vu2A:
undetectable		 1aqbA-3vu2A:
13.67
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.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ALA A 105
MET A 100
LEU A 135
GLN A 148
HIS A  89
 None
 1.34A 1aqbA-3zkbA:
undetectable		 1aqbA-3zkbA:
16.13
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 398
VAL A 376
TYR A 428
LEU A 409
GLN A 413
 None
 1.30A 1aqbA-4bx9A:
undetectable		 1aqbA-4bx9A:
14.66
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.
4esq SERINE/THREONINE
PROTEIN KINASE

(Mycobacterium
tuberculosis) 		PF14032
(PknH_C) 		5 ALA A 521
MET A 470
LEU A 486
GLN A 483
PHE A 534
 None
 1.36A 1aqbA-4esqA:
undetectable		 1aqbA-4esqA:
21.36
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.
4evm THIOREDOXIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00578
(AhpC-TSA) 		5 LEU A  57
ALA A 101
VAL A 110
TYR A  70
LEU A  77
 None
 1.47A 1aqbA-4evmA:
undetectable		 1aqbA-4evmA:
20.10
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 LEU A 581
ALA A 381
VAL A 461
TYR A 316
LEU A 330
 None
 1.32A 1aqbA-4fgmA:
undetectable		 1aqbA-4fgmA:
15.30
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.
4hqs THIOREDOXIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00578
(AhpC-TSA) 		5 LEU A  57
ALA A 101
VAL A 110
TYR A  70
LEU A  77
 None
None
MG  A 205 (-4.7A)
None
None
 1.44A 1aqbA-4hqsA:
undetectable		 1aqbA-4hqsA:
22.07
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 LEU A 232
ALA A 251
TYR A 244
LEU A 239
PHE A  69
 None
 1.28A 1aqbA-4u0tA:
undetectable		 1aqbA-4u0tA:
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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 LEU A 395
ALA A 121
VAL A 249
LEU A 245
PHE A 369
 None
 1.49A 1aqbA-4z5pA:
undetectable		 1aqbA-4z5pA:
20.16
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.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		5 LEU A  48
ALA A 168
VAL A  54
MET A   6
LEU A  11
 None
 1.33A 1aqbA-5bt8A:
undetectable		 1aqbA-5bt8A:
18.32
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.
5d2e MLNE

(Bacillus
velezensis) 		PF08659
(KR) 		5 ALA A 209
VAL A 385
TYR A 188
LEU A 148
GLN A 147
 None
 1.37A 1aqbA-5d2eA:
undetectable		 1aqbA-5d2eA:
18.37
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 LEU A2289
ALA A2161
TYR A2283
LEU A2274
HIS A2231
 None
 1.44A 1aqbA-5fu7A:
undetectable		 1aqbA-5fu7A:
16.13
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 LEU A  25
ALA A 339
VAL A 140
MET A 366
LEU A 349
 None
IAC  A 702 (-4.5A)
None
None
None
 1.41A 1aqbA-5kodA:
undetectable		 1aqbA-5kodA:
15.78
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.
5sy5 ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3) 		5 ALA A 172
VAL B 182
LEU B 198
HIS B 289
PHE B 149
 None
 1.34A 1aqbA-5sy5A:
undetectable		 1aqbA-5sy5A:
20.58
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 136
ALA A 145
TYR A 270
LEU A 130
GLN A 131
 None
 1.24A 1aqbA-5ulvA:
undetectable		 1aqbA-5ulvA:
20.55
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 5 LEU A 165
ALA A   9
VAL A 159
LEU A  95
HIS A  49
 None
 1.40A 1aqbA-6ar3A:
undetectable		 1aqbA-6ar3A:
17.87
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 873
ALA A 839
VAL A 865
LEU A 802
PHE A1348
 None
 1.27A 1aqbA-6eojA:
undetectable		 1aqbA-6eojA:
8.05