SIMILAR PATTERNS OF AMINO ACIDS FOR 3AQI_B_CHDB5_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.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1)
PF00469
(F-protein)
3 PRO A 122
LEU A 112
ARG A 105
None
0.80A 3aqiB-1avvA:
undetectable
3aqiB-1avvA:
17.98
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.
1bc5 CHEMOTAXIS RECEPTOR
METHYLTRANSFERASE


(Salmonella
enterica)
PF01739
(CheR)
PF03705
(CheR_N)
3 PRO A 178
LEU A 181
ARG A 187
None
0.81A 3aqiB-1bc5A:
1.4
3aqiB-1bc5A:
23.16
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.
1bgx TP7 MAB

(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO H   9
LEU H 111
ARG H  38
None
0.66A 3aqiB-1bgxH:
undetectable
3aqiB-1bgxH:
20.81
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.
1d5y ROB TRANSCRIPTION
FACTOR


(Escherichia
coli)
PF06445
(GyrI-like)
PF12833
(HTH_18)
3 PRO A 100
LEU A  66
ARG A  71
None
0.85A 3aqiB-1d5yA:
0.0
3aqiB-1d5yA:
24.14
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.
1dgs DNA LIGASE

(Thermus
filiformis)
PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
3 PRO A 403
LEU A 413
ARG A 421
None
0.82A 3aqiB-1dgsA:
undetectable
3aqiB-1dgsA:
19.13
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.
1etz FAB NC10.14 - HEAVY
CHAIN


(Mus musculus)
no annotation 3 PRO H   9
LEU H 122
ARG H  40
None
0.81A 3aqiB-1etzH:
undetectable
3aqiB-1etzH:
20.53
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2


(Saccharomyces
cerevisiae)
PF00675
(Peptidase_M16)
3 PRO B 244
LEU B 284
ARG B  84
None
0.84A 3aqiB-1ezvB:
0.0
3aqiB-1ezvB:
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR


(Homo sapiens)
PF13374
(TPR_10)
PF13432
(TPR_16)
3 PRO A 294
LEU A 295
ARG A 308
None
0.79A 3aqiB-1fchA:
0.5
3aqiB-1fchA:
21.34
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.
1gy8 UDP-GALACTOSE
4-EPIMERASE


(Trypanosoma
brucei)
PF01370
(Epimerase)
3 PRO A 224
LEU A 227
ARG A 374
None
0.75A 3aqiB-1gy8A:
1.9
3aqiB-1gy8A:
22.68
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.
1hkx CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN


(Mus musculus)
PF08332
(CaMKII_AD)
3 PRO A 375
LEU A 392
ARG A 396
None
0.83A 3aqiB-1hkxA:
undetectable
3aqiB-1hkxA:
17.63
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.
1ken INFLUENZA VIRUS
INFECTIVITY
NEUTRALIZING
ANTIBODY (HEAVY
CHAIN)


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO H   9
LEU H 116
ARG H  39
None
0.76A 3aqiB-1kenH:
undetectable
3aqiB-1kenH:
20.12
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.
1kip MONOCLONAL ANTIBODY
D1.3


(Mus musculus)
PF07686
(V-set)
3 PRO B   9
LEU B 112
ARG B  38
None
0.84A 3aqiB-1kipB:
undetectable
3aqiB-1kipB:
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.
1mhs PLASMA MEMBRANE
ATPASE


(Neurospora
crassa)
PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase)
3 PRO A 477
LEU A 478
ARG A 911
None
0.84A 3aqiB-1mhsA:
undetectable
3aqiB-1mhsA:
16.98
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE


(Xanthomonas
citri)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
3 PRO A 298
LEU A 330
ARG A 327
None
0.79A 3aqiB-1mpxA:
undetectable
3aqiB-1mpxA:
20.51
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.
1n11 ANKYRIN

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A 572
LEU A 588
ARG A 591
None
0.86A 3aqiB-1n11A:
undetectable
3aqiB-1n11A:
22.60
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.
1nlf REGULATORY PROTEIN
REPA


(Escherichia
coli)
PF13481
(AAA_25)
3 PRO A  75
LEU A  74
ARG A 134
None
0.85A 3aqiB-1nlfA:
undetectable
3aqiB-1nlfA:
23.69
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3)
PF00693
(Herpes_TK)
3 PRO A 318
LEU A  13
ARG A  42
None
0.77A 3aqiB-1osnA:
undetectable
3aqiB-1osnA:
24.35
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.
1p4i ANTIBODY VARIABLE
HEAVY CHAIN


(Mus musculus)
PF07686
(V-set)
3 PRO H  10
LEU H 145
ARG H  45
None
0.80A 3aqiB-1p4iH:
undetectable
3aqiB-1p4iH:
14.41
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.
1p9o PHOSPHOPANTOTHENOYLC
YSTEINE SYNTHETASE


(Homo sapiens)
PF04127
(DFP)
3 PRO A 211
LEU A 214
ARG A 242
None
0.83A 3aqiB-1p9oA:
3.1
3aqiB-1p9oA:
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.
1ps6 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE


(Escherichia
coli)
PF04166
(PdxA)
3 PRO A  77
LEU A  76
ARG A   6
None
0.85A 3aqiB-1ps6A:
undetectable
3aqiB-1ps6A:
22.86
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.
1pxv CYSTEINE PROTEASE

(Staphylococcus
aureus)
PF05543
(Peptidase_C47)
3 PRO A 336
LEU A 338
ARG A 382
None
0.78A 3aqiB-1pxvA:
undetectable
3aqiB-1pxvA:
19.39
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.
1qu4 ORNITHINE
DECARBOXYLASE


(Trypanosoma
brucei)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
3 PRO A 338
LEU A 381
ARG A 342
None
0.80A 3aqiB-1qu4A:
undetectable
3aqiB-1qu4A:
22.52
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus)
PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc)
3 PRO A 548
LEU A 552
ARG A 563
None
0.79A 3aqiB-1taqA:
undetectable
3aqiB-1taqA:
18.06
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.
1tex STF0
SULFOTRANSFERASE


(Mycolicibacterium
smegmatis)
PF09037
(Sulphotransf)
3 PRO A 117
LEU A 116
ARG A 112
None
0.85A 3aqiB-1texA:
undetectable
3aqiB-1texA:
21.81
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.
1u5v CITE

(Mycobacterium
tuberculosis)
PF03328
(HpcH_HpaI)
3 PRO A  91
LEU A  90
ARG A 105
None
0.79A 3aqiB-1u5vA:
undetectable
3aqiB-1u5vA:
22.68
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.
1v9p DNA LIGASE

(Thermus
filiformis)
PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
3 PRO A 406
LEU A 416
ARG A 424
None
0.75A 3aqiB-1v9pA:
undetectable
3aqiB-1v9pA:
21.96
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.
1wfk ZINC FINGER, FYVE
DOMAIN CONTAINING 19


(Mus musculus)
PF01363
(FYVE)
3 PRO A  47
LEU A  64
ARG A  66
None
0.78A 3aqiB-1wfkA:
undetectable
3aqiB-1wfkA:
13.35
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.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE


(Sulfurisphaera
tokodaii)
PF00180
(Iso_dh)
3 PRO A  96
LEU A 113
ARG A 159
None
0.82A 3aqiB-1wpwA:
undetectable
3aqiB-1wpwA:
25.13
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.
1y30 HYPOTHETICAL PROTEIN
RV1155


(Mycobacterium
tuberculosis)
PF01243
(Putative_PNPOx)
3 PRO A 135
LEU A  46
ARG A  43
None
0.83A 3aqiB-1y30A:
undetectable
3aqiB-1y30A:
16.03
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.
2fhd DNA REPAIR PROTEIN
RHP9/CRB2


(Schizosaccharomyces
pombe)
no annotation 3 PRO A 379
LEU A 367
ARG A 489
None
0.86A 3aqiB-2fhdA:
undetectable
3aqiB-2fhdA:
19.49
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima)
PF05343
(Peptidase_M42)
3 PRO A  91
LEU A 125
ARG A 107
None
0.80A 3aqiB-2fvgA:
undetectable
3aqiB-2fvgA:
22.05
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.
2n5d FUSION PROTEIN OF
TWO PKS DOMAINS


(Streptomyces
virginiae)
no annotation 3 PRO A  78
LEU A  72
ARG A  58
None
0.84A 3aqiB-2n5dA:
undetectable
3aqiB-2n5dA:
19.82
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.
2ofx BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1


(Homo sapiens)
PF01583
(APS_kinase)
3 PRO A  82
LEU A 125
ARG A  40
None
0.86A 3aqiB-2ofxA:
undetectable
3aqiB-2ofxA:
21.16
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL


(Trichormus
variabilis)
PF01261
(AP_endonuc_2)
3 PRO A 261
LEU A 260
ARG A 252
None
None
XLS  A 401 ( 4.0A)
0.83A 3aqiB-2qw5A:
undetectable
3aqiB-2qw5A:
21.43
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.
2r79 PERIPLASMIC BINDING
PROTEIN


(Pseudomonas
aeruginosa)
PF01497
(Peripla_BP_2)
3 PRO A 209
LEU A 181
ARG A 228
None
None
HEM  A 500 (-2.8A)
0.70A 3aqiB-2r79A:
undetectable
3aqiB-2r79A:
22.47
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE


(Streptococcus
sp.)
PF01266
(DAO)
PF16901
(DAO_C)
3 PRO A 544
LEU A 548
ARG A 559
None
0.49A 3aqiB-2rghA:
undetectable
3aqiB-2rghA:
19.63
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.
2vq1 ANTI-HUMAN FC GAMMA
RECEPTOR III 3G8
GAMMA HEAVY CHAIN
VARIABLE REGION


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO B   9
LEU B 109
ARG B  38
None
0.82A 3aqiB-2vq1B:
undetectable
3aqiB-2vq1B:
18.94
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
3 PRO A 317
LEU A 324
ARG A 370
None
0.79A 3aqiB-2vr5A:
undetectable
3aqiB-2vr5A:
18.24
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.
2we8 XANTHINE
DEHYDROGENASE


(Mycolicibacterium
smegmatis)
PF02625
(XdhC_CoxI)
PF13478
(XdhC_C)
3 PRO A 256
LEU A 288
ARG A 313
None
0.83A 3aqiB-2we8A:
3.5
3aqiB-2we8A:
20.33
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.
2xqw COMPLEMENT C3

(Homo sapiens)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
3 PRO A 212
LEU A 213
ARG A 208
None
0.62A 3aqiB-2xqwA:
undetectable
3aqiB-2xqwA:
23.58
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN


(Homo sapiens)
PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
3 PRO B1183
LEU B1184
ARG B1179
None
0.55A 3aqiB-2xwbB:
undetectable
3aqiB-2xwbB:
19.17
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE


(Pseudomonas sp.
P-501)
no annotation 3 PRO A 232
LEU A 332
ARG A 329
None
0.85A 3aqiB-2yr5A:
undetectable
3aqiB-2yr5A:
19.34
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)
3 PRO A 102
LEU A 107
ARG A 114
CHD  A   3 ( 4.7A)
CHD  A   3 ( 4.6A)
CHD  A   2 (-3.6A)
0.51A 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.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3


(Toxoplasma
gondii)
PF00069
(Pkinase)
3 PRO A 149
LEU A 108
ARG A 115
None
0.78A 3aqiB-3dxnA:
undetectable
3aqiB-3dxnA:
24.62
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD


(Paraburkholderia
xenovorans)
PF05853
(BKACE)
3 PRO A 210
LEU A 213
ARG A 217
None
None
ETX  A 501 (-3.5A)
0.76A 3aqiB-3e49A:
undetectable
3aqiB-3e49A:
21.07
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.
3hhs PHENOLOXIDASE
SUBUNIT 2
PHENOLOXIDASE
SUBUNIT 1


(Manduca sexta;
Manduca sexta)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
3 PRO A 157
LEU A 285
ARG B 165
None
0.66A 3aqiB-3hhsA:
undetectable
3aqiB-3hhsA:
20.25
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.
3ifl 12A11 FAB ANTIBODY
HEAVY CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO H   9
LEU H 116
ARG H  40
None
0.72A 3aqiB-3iflH:
undetectable
3aqiB-3iflH:
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE


(Cupriavidus
pinatubonensis)
PF00465
(Fe-ADH)
3 PRO A 149
LEU A 148
ARG A 143
None
0.74A 3aqiB-3jzdA:
undetectable
3aqiB-3jzdA:
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.
3ln6 GLUTATHIONE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
GSHAB


(Streptococcus
agalactiae)
PF01071
(GARS_A)
PF04262
(Glu_cys_ligase)
3 PRO A 105
LEU A  28
ARG A  29
None
0.84A 3aqiB-3ln6A:
undetectable
3aqiB-3ln6A:
19.58
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN


(Mus musculus)
PF00969
(MHC_II_beta)
PF07654
(C1-set)
3 PRO B 124
LEU B  94
ARG B  93
None
0.77A 3aqiB-3mbeB:
undetectable
3aqiB-3mbeB:
22.12
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2


(Mycolicibacterium
smegmatis)
PF02626
(CT_A_B)
3 PRO A 144
LEU A  15
ARG A 114
None
0.84A 3aqiB-3mmlA:
undetectable
3aqiB-3mmlA:
22.60
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''


(Pyrococcus
furiosus)
PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1)
3 PRO A 260
LEU A 261
ARG A 166
None
0.67A 3aqiB-3qqcA:
undetectable
3aqiB-3qqcA:
23.32
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE


(Bacillus
subtilis)
no annotation 3 PRO A  77
LEU A  97
ARG A  94
None
0.71A 3aqiB-3qy7A:
undetectable
3aqiB-3qy7A:
22.70
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN


(Roseovarius
nubinhibens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 PRO A  49
LEU A  52
ARG A 365
None
0.83A 3aqiB-3u4fA:
undetectable
3aqiB-3u4fA:
20.80
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE


(Salmonella
enterica)
PF02769
(AIRS_C)
PF13507
(GATase_5)
3 PRO A 644
LEU A 643
ARG A 639
None
0.85A 3aqiB-3ummA:
undetectable
3aqiB-3ummA:
13.77
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.
3w4k D-AMINO-ACID OXIDASE

(Homo sapiens)
PF01266
(DAO)
3 PRO A 284
LEU A 195
ARG A 290
FAD  A 401 ( 4.7A)
None
None
0.82A 3aqiB-3w4kA:
undetectable
3aqiB-3w4kA:
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.
3zdh ACETYLCHOLINE
BINDING PROTEIN


(Lymnaea
stagnalis)
PF02931
(Neur_chan_LBD)
3 PRO A 100
LEU A 102
ARG A 104
None
0.67A 3aqiB-3zdhA:
undetectable
3aqiB-3zdhA:
22.94
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.
3zo0 IG GAMMA-2A CHAIN C
REGION, A ALLELE


(Mus musculus)
PF07654
(C1-set)
3 PRO A 271
LEU A 300
ARG A 293
None
0.73A 3aqiB-3zo0A:
undetectable
3aqiB-3zo0A:
20.79
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae)
PF00135
(COesterase)
3 PRO A  52
LEU A 191
ARG A 194
None
0.73A 3aqiB-4be9A:
2.6
3aqiB-4be9A:
20.87
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL


(Homo sapiens)
PF07992
(Pyr_redox_2)
PF14721
(AIF_C)
3 PRO A 174
LEU A 179
ARG A 291
None
0.62A 3aqiB-4bv6A:
undetectable
3aqiB-4bv6A:
20.48
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.
4bz0 PUTATIVE TYPE IV
PILUS BIOSYNTHESIS
PROTEIN


(Burkholderia
pseudomallei)
PF06864
(PAP_PilO)
3 PRO A 186
LEU A  43
ARG A  61
None
0.72A 3aqiB-4bz0A:
undetectable
3aqiB-4bz0A:
21.78
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
3 PRO A 468
LEU A 552
ARG A 553
None
0.79A 3aqiB-4cakA:
undetectable
3aqiB-4cakA:
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris)
PF01979
(Amidohydro_1)
3 PRO A  82
LEU A  85
ARG A 443
None
0.72A 3aqiB-4dzhA:
undetectable
3aqiB-4dzhA:
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.
4edx HEAVY CHAIN OF FAB
OF MURINE ANTI-NGF


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO B   9
LEU B 109
ARG B  38
None
0.76A 3aqiB-4edxB:
undetectable
3aqiB-4edxB:
17.83
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.
4huz 2,6-DICHLORO-P-HYDRO
QUINONE
1,2-DIOXYGENASE


(Sphingobium
chlorophenolicum)
PF00903
(Glyoxalase)
3 PRO A  46
LEU A  39
ARG A  37
None
0.79A 3aqiB-4huzA:
undetectable
3aqiB-4huzA:
20.53
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.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT


(Burkholderia
thailandensis)
PF02222
(ATP-grasp)
3 PRO A 281
LEU A 262
ARG A 206
None
0.85A 3aqiB-4izoA:
undetectable
3aqiB-4izoA:
20.79
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12


(Arabidopsis
thaliana)
PF03321
(GH3)
3 PRO A 107
LEU A  72
ARG A  74
None
0.83A 3aqiB-4l39A:
undetectable
3aqiB-4l39A:
22.09
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.
4l9f TRANSCRIPTIONAL
REGULATOR, PPSR


(Rhodobacter
sphaeroides)
PF00989
(PAS)
3 PRO A 238
LEU A 249
ARG A 247
None
0.54A 3aqiB-4l9fA:
undetectable
3aqiB-4l9fA:
17.92
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.
4l9g TRANSCRIPTIONAL
REGULATOR, PPSR


(Rhodobacter
sphaeroides)
PF13188
(PAS_8)
3 PRO A 238
LEU A 249
ARG A 247
None
0.80A 3aqiB-4l9gA:
undetectable
3aqiB-4l9gA:
23.87
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.
4lab RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE B


(Escherichia
coli)
PF00849
(PseudoU_synth_2)
3 PRO A 221
LEU A 220
ARG A 212
None
0.84A 3aqiB-4labA:
undetectable
3aqiB-4labA:
21.91
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.
4m1g MURINE IGG2A A27D7
HEAVY CHAIN FAB
DOMAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO H   9
LEU H 114
ARG H  38
None
0.78A 3aqiB-4m1gH:
undetectable
3aqiB-4m1gH:
19.50
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.
4np6 ADENYLATE KINASE

(Vibrio cholerae)
PF00406
(ADK)
PF05191
(ADK_lid)
3 PRO A 177
LEU A 178
ARG A  88
None
0.85A 3aqiB-4np6A:
undetectable
3aqiB-4np6A:
22.41
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.
4oib INTERCELLULAR
ADHESION MOLECULE 5


(Homo sapiens)
PF03921
(ICAM_N)
3 PRO A 118
LEU A 171
ARG A  88
None
0.86A 3aqiB-4oibA:
undetectable
3aqiB-4oibA:
22.46
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.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD


(Escherichia
coli)
PF01026
(TatD_DNase)
3 PRO A 209
LEU A 208
ARG A 220
None
0.74A 3aqiB-4pe8A:
undetectable
3aqiB-4pe8A:
21.80
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.
4qiw DNA-DIRECTED RNA
POLYMERASE


(Thermococcus
kodakarensis)
PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
3 PRO A 199
LEU A 200
ARG A 105
None
0.65A 3aqiB-4qiwA:
undetectable
3aqiB-4qiwA:
17.53
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.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A2269
LEU A2285
ARG A2288
None
0.61A 3aqiB-4rlvA:
undetectable
3aqiB-4rlvA:
16.91
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.
4rlv ANKYRIN-1, ANKYRIN-2

(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A2302
LEU A2318
ARG A2321
None
0.54A 3aqiB-4rlvA:
undetectable
3aqiB-4rlvA:
16.91
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.
4rly NAV1.2 - ANKB
CHIMERA


(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 PRO A2236
LEU A2252
ARG A2255
None
None
SO4  A2406 ( 4.9A)
0.66A 3aqiB-4rlyA:
undetectable
3aqiB-4rlyA:
23.62
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.
4rly NAV1.2 - ANKB
CHIMERA


(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 PRO A2269
LEU A2285
ARG A2288
None
0.64A 3aqiB-4rlyA:
undetectable
3aqiB-4rlyA:
23.62
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE


(Methylovorus
sp. MP688)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 PRO A 272
LEU A 275
ARG A 297
None
None
FMT  A1530 (-3.0A)
0.84A 3aqiB-4udrA:
undetectable
3aqiB-4udrA:
20.82
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.
4yzf FAB FRAGMENT OF
IMMUNOGLOBULIN (IGG)
MOLECULE


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO E   9
LEU E 119
ARG E  40
None
0.75A 3aqiB-4yzfE:
undetectable
3aqiB-4yzfE:
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48


(Mycolicibacterium
smegmatis)
PF00004
(AAA)
PF02359
(CDC48_N)
3 PRO A  44
LEU A  47
ARG A  53
None
0.82A 3aqiB-5e7pA:
undetectable
3aqiB-5e7pA:
18.67
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.
5e94 ANTIBODY FAB
FRAGMENT HEAVY CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 PRO B   9
LEU B 119
ARG B  39
None
0.69A 3aqiB-5e94B:
undetectable
3aqiB-5e94B:
21.51
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.
5fo9 COMPLEMENT RECEPTOR
TYPE 1


(Homo sapiens)
PF00084
(Sushi)
3 PRO C1130
LEU C1107
ARG C1094
None
0.83A 3aqiB-5fo9C:
undetectable
3aqiB-5fo9C:
22.64
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus)
PF07521
(RMMBL)
PF12706
(Lactamase_B_2)
3 PRO A 318
LEU A 269
ARG A 333
None
0.65A 3aqiB-5habA:
undetectable
3aqiB-5habA:
20.77
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.
5ma6 3G124NC

(synthetic
construct)
no annotation 3 PRO B  83
LEU B  86
ARG B  57
None
0.72A 3aqiB-5ma6B:
undetectable
3aqiB-5ma6B:
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE


(Mus musculus)
no annotation 3 PRO A 693
LEU A 595
ARG A 593
None
0.86A 3aqiB-5mhfA:
undetectable
3aqiB-5mhfA:
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE


(Bacteroides
thetaiotaomicron)
PF07944
(Glyco_hydro_127)
3 PRO A 440
LEU A 439
ARG A 434
None
0.76A 3aqiB-5mqoA:
undetectable
3aqiB-5mqoA:
19.49
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.
5mz6 SEPARASE

(Caenorhabditis
elegans)
PF03568
(Peptidase_C50)
3 PRO 1 115
LEU 1 118
ARG 1 130
None
0.86A 3aqiB-5mz61:
undetectable
3aqiB-5mz61:
14.33
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A


(Pyrococcus
abyssi)
no annotation 3 PRO A 196
LEU A 199
ARG A 232
None
0.69A 3aqiB-5wt3A:
undetectable
3aqiB-5wt3A:
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2


(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 PRO A2236
LEU A2252
ARG A2255
None
0.64A 3aqiB-5y4dA:
undetectable
3aqiB-5y4dA:
18.33
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2


(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 PRO A2269
LEU A2285
ARG A2288
None
0.63A 3aqiB-5y4dA:
undetectable
3aqiB-5y4dA:
18.33
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2


(Homo sapiens;
Mus musculus)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
3 PRO A2302
LEU A2318
ARG A2321
None
0.63A 3aqiB-5y4dA:
undetectable
3aqiB-5y4dA:
18.33
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.
5y4e ANKYRIN-2,ANKYRIN-2

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
3 PRO A1302
LEU A1318
ARG A1321
None
0.65A 3aqiB-5y4eA:
undetectable
3aqiB-5y4eA:
23.73
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.
5y4f ANKYRIN-2

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
3 PRO A 565
LEU A 581
ARG A 584
None
0.76A 3aqiB-5y4fA:
undetectable
3aqiB-5y4fA:
21.51
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli)
no annotation 3 PRO A 205
LEU A 208
ARG A 214
PO4  A 704 (-4.4A)
None
None
0.75A 3aqiB-5ya1A:
undetectable
3aqiB-5ya1A:
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.
5ysb LIN1841 PROTEIN

(Listeria
innocua)
no annotation 3 PRO A 167
LEU A 158
ARG A 183
None
0.79A 3aqiB-5ysbA:
undetectable
3aqiB-5ysbA:
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.
6bnl NKT VALPHA14 (MOUSE)
- 2C12 TCR - HYBRID
MOUSE VARIABLE AND
HUMAN CONSTANT
DOMAINS


(Homo sapiens)
no annotation 3 PRO C 116
LEU C  82
ARG C 169
None
0.86A 3aqiB-6bnlC:
undetectable
3aqiB-6bnlC:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY


(Thermobifida
fusca)
no annotation 3 PRO M 204
LEU M  51
ARG M  53
None
0.84A 3aqiB-6c66M:
undetectable
3aqiB-6c66M:
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE


(Mycobacterium
tuberculosis)
no annotation 3 PRO C 185
LEU C 186
ARG C  44
None
0.83A 3aqiB-6eicC:
3.6
3aqiB-6eicC:
undetectable