SIMILAR PATTERNS OF AMINO ACIDS FOR 3AQI_B_CHDB4

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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		4 ARG B  84
PRO B 367
GLY B 471
TRP B 494
 None
 1.28A 3aqiB-1e3dB:
0.0		 3aqiB-1e3dB:
19.20
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		4 ARG C  29
PRO C  57
GLY C 106
MET C 109
 None
 1.42A 3aqiB-1sb3C:
undetectable		 3aqiB-1sb3C:
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ARG A 398
PRO A 273
GLY A 404
TRP A 165
 None
 1.13A 3aqiB-1w1kA:
0.0		 3aqiB-1w1kA:
19.65
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ARG A 256
PRO A 299
GLY A 435
MET A 431
 None
 1.29A 3aqiB-1wz2A:
0.0		 3aqiB-1wz2A:
16.76
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.
2bov RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 MET A 172
ARG A  52
PRO A 121
GLY A  86
 None
 1.48A 3aqiB-2bovA:
0.3		 3aqiB-2bovA:
20.17
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 MET B 539
ARG B 529
PRO B 458
GLY B 558
 None
 1.30A 3aqiB-2fffB:
0.0		 3aqiB-2fffB:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 MET B 756
PRO B 779
MET B 787
TRP B 788
 None
 0.99A 3aqiB-2fjaB:
undetectable		 3aqiB-2fjaB:
17.95
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.
2ke5 RAS-RELATED PROTEIN
RAL-B

(Homo sapiens) 		PF00071
(Ras) 		4 MET A 173
ARG A  52
PRO A 122
GLY A  86
 None
 1.25A 3aqiB-2ke5A:
0.4		 3aqiB-2ke5A:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		6 MET A  99
ARG A 114
PRO A 266
GLY A 306
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   2 (-3.6A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 3.8A)
None
CHD  A   2 (-4.7A)
 0.40A 3aqiB-3aqiA:
61.5		 3aqiB-3aqiA:
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.
3dpr PROTEIN VP2

(Rhinovirus A) 		PF00073
(Rhv) 		4 ARG B 216
PRO B 248
GLY B  93
MET B  89
 None
 1.26A 3aqiB-3dprB:
undetectable		 3aqiB-3dprB:
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		4 MET A 281
ARG A 314
PRO A 245
GLY A 213
 None
 1.46A 3aqiB-3dzcA:
undetectable		 3aqiB-3dzcA:
22.25
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		4 MET A  95
ARG A 284
PRO A  34
GLY A 330
 None
MES  A 485 (-4.5A)
None
None
 1.44A 3aqiB-3ek1A:
undetectable		 3aqiB-3ek1A:
22.18
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 MET A 415
ARG A 426
PRO A 544
GLY A 339
 None
 1.48A 3aqiB-3gmeA:
undetectable		 3aqiB-3gmeA:
19.89
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.
3in5 DNA POLYMERASE KAPPA

(Homo sapiens) 		PF00817
(IMS)
PF11798
(IMS_HHH)
PF11799
(IMS_C) 		4 MET A 343
PRO A 315
GLY A 403
MET A 318
 None
 1.43A 3aqiB-3in5A:
undetectable		 3aqiB-3in5A:
20.46
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		4 MET A 669
PRO A 731
GLY A 735
MET A 564
 None
 1.48A 3aqiB-3j09A:
undetectable		 3aqiB-3j09A:
18.85
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 MET A  73
ARG A 246
GLY A  96
MET A  92
 None
GRA  A 402 (-3.4A)
None
FAD  A 400 ( 4.5A)
 1.47A 3aqiB-3mpiA:
undetectable		 3aqiB-3mpiA:
20.60
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 MET A  63
ARG A 429
GLY A  71
MET A  74
 None
 1.23A 3aqiB-3myvA:
undetectable		 3aqiB-3myvA:
20.22
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 354
GLY A 350
MET A 352
TRP A 369
 None
 1.42A 3aqiB-3nyoA:
undetectable		 3aqiB-3nyoA:
20.69
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 ARG B 636
PRO B 661
GLY B 625
TRP B 626
 None
 1.49A 3aqiB-3o8oB:
3.0		 3aqiB-3o8oB:
19.25
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.
3qk9 MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM44

(Saccharomyces
cerevisiae) 		PF04280
(Tim44) 		4 MET A 395
ARG A 294
PRO A 249
GLY A 368
 None
 1.45A 3aqiB-3qk9A:
undetectable		 3aqiB-3qk9A:
20.56
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.
3qr3 ENDOGLUCANASE EG-II

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 MET A  47
ARG A  60
PRO A 307
GLY A 293
 None
 1.38A 3aqiB-3qr3A:
undetectable		 3aqiB-3qr3A:
19.03
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		4 ARG A 166
PRO A 479
GLY A 329
TRP A 330
 None
 1.30A 3aqiB-4eipA:
undetectable		 3aqiB-4eipA:
21.68
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		4 MET A  80
PRO A  47
GLY A  43
MET A  45
 None
NDP  A 403 ( 4.9A)
FMN  A 401 (-4.8A)
NDP  A 402 ( 4.7A)
 1.28A 3aqiB-4iqlA:
undetectable		 3aqiB-4iqlA:
22.77
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.
4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6

(Homo sapiens) 		PF00328
(His_Phos_2) 		4 ARG A 386
PRO A 203
GLY A 302
MET A 299
 None
 1.38A 3aqiB-4jocA:
undetectable		 3aqiB-4jocA:
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.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		4 MET A 354
ARG A 287
PRO A 224
GLY A 283
 None
SO4  A 609 (-2.5A)
None
None
 1.40A 3aqiB-4oerA:
undetectable		 3aqiB-4oerA:
21.69
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		4 MET A  85
ARG A  37
GLY A  65
TRP A  66
 None
 1.47A 3aqiB-4qqsA:
undetectable		 3aqiB-4qqsA:
21.49
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 354
GLY A 350
MET A 352
TRP A 369
 None
 1.39A 3aqiB-4tnbA:
undetectable		 3aqiB-4tnbA:
20.99
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 ARG L  94
PRO L 376
GLY L 481
TRP L 504
 None
 1.28A 3aqiB-4u9iL:
undetectable		 3aqiB-4u9iL:
19.93
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.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ARG A 545
PRO A 407
GLY A 385
MET A 109
 None
 1.31A 3aqiB-4uaqA:
undetectable		 3aqiB-4uaqA:
18.72
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 PRO A 355
GLY A 351
MET A 353
TRP A 370
 None
 1.46A 3aqiB-4yhjA:
undetectable		 3aqiB-4yhjA:
20.20
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 ARG C 199
PRO C 174
GLY C 208
MET C   1
 None
 1.47A 3aqiB-5b57C:
undetectable		 3aqiB-5b57C:
21.94
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.
5cm8 RAS-RELATED PROTEIN
RAL-A

(Drosophila
melanogaster) 		PF00071
(Ras) 		4 MET B 169
ARG B  49
PRO B 118
GLY B  83
 None
 1.49A 3aqiB-5cm8B:
3.6		 3aqiB-5cm8B:
19.61
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 MET A 330
ARG A 311
PRO A 267
GLY A 316
 None
 1.25A 3aqiB-5e7jA:
undetectable		 3aqiB-5e7jA:
22.08
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ARG A  32
PRO A  70
GLY A 120
MET A 123
 None
 1.49A 3aqiB-5epgA:
undetectable		 3aqiB-5epgA:
14.09
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 ARG A 237
PRO A 414
GLY A 322
TRP A 324
 None
 1.24A 3aqiB-5f75A:
undetectable		 3aqiB-5f75A:
20.14
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.
5h5c MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 MET A 131
PRO A  52
GLY A  48
MET A  50
 None
 1.24A 3aqiB-5h5cA:
undetectable		 3aqiB-5h5cA:
22.31
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.
5h5j FERREDOXIN--NADP
REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1) 		4 ARG A 182
PRO A 161
GLY A  70
MET A 158
 None
 1.49A 3aqiB-5h5jA:
undetectable		 3aqiB-5h5jA:
20.11
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		4 ARG A 159
PRO A 243
GLY A 102
TRP A 276
 None
 1.41A 3aqiB-5i84A:
undetectable		 3aqiB-5i84A:
20.05
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.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		4 MET A 228
ARG A 159
PRO A 243
GLY A 102
 None
 1.22A 3aqiB-5i84A:
undetectable		 3aqiB-5i84A:
20.05
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.
5oex -

(-) 		no annotation 4 ARG A 237
PRO A 414
GLY A 322
TRP A 324
 P4G  A 605 (-3.9A)
None
None
None
 1.24A 3aqiB-5oexA:
undetectable		 3aqiB-5oexA:
undetectable
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 4 MET A 155
ARG A 101
GLY A  20
MET A  22
 G93  A 301 (-3.4A)
None
None
None
 1.49A 3aqiB-5u94A:
undetectable		 3aqiB-5u94A:
undetectable
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.
5xon RNA POLYMERASE II
SUBUNIT

(Komagataella
phaffii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		4 ARG G 144
PRO G  81
MET G   1
TRP G  79
 None
 1.38A 3aqiB-5xonG:
undetectable		 3aqiB-5xonG:
20.36
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.
6b4a DOUBLECORTIN

(Toxoplasma
gondii) 		no annotation 4 PRO A 168
GLY A 216
MET A 154
TRP A 155
 None
 1.36A 3aqiB-6b4aA:
undetectable		 3aqiB-6b4aA:
15.09
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.
6g3u -

(-) 		no annotation 4 ARG A 124
PRO A 137
GLY A 132
MET A 258
 None
 1.31A 3aqiB-6g3uA:
undetectable		 3aqiB-6g3uA:
undetectable