SIMILAR PATTERNS OF AMINO ACIDS FOR 4DUB_B_LDPB501_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.
1a0j TRYPSIN

(Salmo salar)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.95A 4dubB-1a0jA:
undetectable
4dubB-1a0jA:
17.06
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.
1a5i PLASMINOGEN
ACTIVATOR


(Desmodus
rotundus)
PF00089
(Trypsin)
5 PHE A  59
ALA A 104
GLY A  44
LEU A 106
VAL A  52
None
1.25A 4dubB-1a5iA:
undetectable
4dubB-1a5iA:
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.
1b04 PROTEIN (DNA LIGASE)

(Geobacillus
stearothermophilus)
PF01653
(DNA_ligase_aden)
4 PHE A 246
GLY A 127
LEU A 164
VAL A 162
None
0.77A 4dubB-1b04A:
0.9
4dubB-1b04A:
21.67
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi)
PF00296
(Bac_luciferase)
4 ALA A  58
GLY A  28
LEU A  24
VAL A  25
None
0.89A 4dubB-1brlA:
0.0
4dubB-1brlA:
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.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)


(Xanthobacter
autotrophicus)
PF00561
(Abhydrolase_1)
5 PHE A  83
ALA A  36
GLY A  33
PRO A  32
LEU A  28
None
1.46A 4dubB-1cijA:
0.0
4dubB-1cijA:
21.66
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.
1ct9 ASPARAGINE
SYNTHETASE B


(Escherichia
coli)
PF00733
(Asn_synthase)
PF13537
(GATase_7)
4 PHE A   7
ALA A  43
LEU A  45
VAL A  70
None
0.87A 4dubB-1ct9A:
0.0
4dubB-1ct9A:
24.22
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.
1d2e ELONGATION FACTOR TU
(EF-TU)


(Bos taurus)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
5 PHE A 370
ALA A 398
GLY A 432
LEU A 406
VAL A 356
None
1.39A 4dubB-1d2eA:
0.0
4dubB-1d2eA:
21.53
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.
1dpb DIHYDROLIPOYL-TRANSA
CETYLASE


(Azotobacter
vinelandii)
PF00198
(2-oxoacid_dh)
4 PHE A 555
ALA A 578
GLY A 581
LEU A 606
None
0.91A 4dubB-1dpbA:
0.0
4dubB-1dpbA:
22.34
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.
1eyy ALDEHYDE
DEHYDROGENASE


(Vibrio harveyi)
PF00171
(Aldedh)
4 ALA A 236
GLY A 213
LEU A 240
VAL A 217
NAP  A 650 ( 4.1A)
NAP  A 650 ( 3.9A)
None
None
0.85A 4dubB-1eyyA:
undetectable
4dubB-1eyyA:
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE


(Escherichia
coli)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
4 ALA O 158
GLY O 170
LEU O 242
VAL O 244
None
0.90A 4dubB-1gaeO:
undetectable
4dubB-1gaeO:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa)
PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target)
4 PHE A 409
ALA A 447
GLY A 397
VAL A 566
None
0.80A 4dubB-1ikpA:
undetectable
4dubB-1ikpA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 PHE A 407
GLY A 138
LEU A 188
VAL A 137
None
0.95A 4dubB-1itzA:
undetectable
4dubB-1itzA:
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.
1mbq TRYPSIN

(Oncorhynchus
keta)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.88A 4dubB-1mbqA:
undetectable
4dubB-1mbqA:
17.17
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.
1mzj BETA-KETOACYLSYNTHAS
E III


(Streptomyces
sp. R1128)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 PHE A 318
ALA A 229
LEU A 267
VAL A 266
None
0.91A 4dubB-1mzjA:
undetectable
4dubB-1mzjA:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 PHE A 393
GLY A 125
LEU A 175
VAL A 124
None
0.92A 4dubB-1r9jA:
undetectable
4dubB-1r9jA:
21.20
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.
1rrm LACTALDEHYDE
REDUCTASE


(Escherichia
coli)
PF00465
(Fe-ADH)
4 ALA A 280
GLY A 264
LEU A 284
VAL A 262
None
0.88A 4dubB-1rrmA:
undetectable
4dubB-1rrmA:
22.59
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.
1thg LIPASE 2

(Galactomyces
candidus)
PF00135
(COesterase)
4 PHE A 204
ALA A   5
PRO A  28
LEU A   7
None
0.91A 4dubB-1thgA:
undetectable
4dubB-1thgA:
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 PHE A 397
GLY A 127
LEU A 177
VAL A 126
None
0.92A 4dubB-1tkcA:
undetectable
4dubB-1tkcA:
21.01
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.
1to3 PUTATIVE ALDOLASE
YIHT


(Salmonella
enterica)
PF01791
(DeoC)
4 PHE A  48
ALA A  52
GLY A 252
VAL A 255
None
None
PO4  A 305 (-3.5A)
None
0.95A 4dubB-1to3A:
undetectable
4dubB-1to3A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1


(Pyrococcus
furiosus)
PF00291
(PALP)
4 ALA B 232
GLY B 305
PRO B 306
VAL B 186
None
0.95A 4dubB-1wdwB:
undetectable
4dubB-1wdwB:
23.71
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE


(Aeropyrum
pernix)
PF01048
(PNP_UDP_1)
4 ALA A  82
GLY A  15
LEU A  86
VAL A  88
None
0.93A 4dubB-1wtaA:
undetectable
4dubB-1wtaA:
19.87
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ALA A 421
GLY A 447
LEU A 417
VAL A 445
None
0.90A 4dubB-1zk7A:
undetectable
4dubB-1zk7A:
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.
1zlr COAGULATION FACTOR
XI


(Homo sapiens)
PF00089
(Trypsin)
4 PHE A  59
ALA A 104
GLY A  42
LEU A 106
None
0.84A 4dubB-1zlrA:
undetectable
4dubB-1zlrA:
17.60
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.
1zvn CADHERIN 1

(Gallus gallus)
PF00028
(Cadherin)
4 PHE A  92
ALA A  75
GLY A  55
LEU A  39
None
0.95A 4dubB-1zvnA:
undetectable
4dubB-1zvnA:
11.93
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.
1zxk CADHERIN-8

(Mus musculus)
PF00028
(Cadherin)
4 PHE A  92
ALA A  75
GLY A  55
LEU A  39
None
0.89A 4dubB-1zxkA:
undetectable
4dubB-1zxkA:
10.59
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.
2cz2 MALEYLACETOACETATE
ISOMERASE


(Mus musculus)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 PHE A 176
ALA A 131
LEU A 119
VAL A 118
None
0.93A 4dubB-2cz2A:
undetectable
4dubB-2cz2A:
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.
2eek TRYPSIN-1

(Gadus morhua)
PF00089
(Trypsin)
4 PHE A 181
ALA A 183
PRO A 198
VAL A 138
None
0.87A 4dubB-2eekA:
undetectable
4dubB-2eekA:
18.68
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.
2f4l ACETAMIDASE,
PUTATIVE


(Thermotoga
maritima)
PF03069
(FmdA_AmdA)
4 GLY A  54
PRO A  55
LEU A 169
VAL A  56
None
0.90A 4dubB-2f4lA:
undetectable
4dubB-2f4lA:
20.04
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.
2hcz BETA-EXPANSIN 1A

(Zea mays)
PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1)
4 PHE X 135
ALA X  22
GLY X   8
PRO X   9
None
0.88A 4dubB-2hczX:
undetectable
4dubB-2hczX:
18.99
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT


(Thermus
aquaticus)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
4 PHE A 177
ALA A 141
GLY A 144
LEU A  96
None
None
None
MG  A1224 ( 4.7A)
0.93A 4dubB-2hpiA:
undetectable
4dubB-2hpiA:
16.95
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.
2icp ANTITOXIN HIGA

(Escherichia
coli)
PF01381
(HTH_3)
4 PHE A  27
ALA A  38
GLY A  10
PRO A   9
None
0.88A 4dubB-2icpA:
undetectable
4dubB-2icpA:
11.61
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.
2lu7 OBSCURIN-LIKE
PROTEIN 1


(Homo sapiens)
PF07679
(I-set)
4 ALA A  47
GLY A  23
PRO A  24
VAL A  25
None
0.94A 4dubB-2lu7A:
undetectable
4dubB-2lu7A:
12.47
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.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
5 PHE A 489
ALA A 543
GLY A 474
LEU A 545
VAL A 482
None
1.26A 4dubB-2odpA:
undetectable
4dubB-2odpA:
22.28
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.
2om5 CONTACTIN 2

(Homo sapiens)
PF07679
(I-set)
PF13927
(Ig_3)
4 ALA A 381
GLY A   6
PRO A   7
VAL A  87
None
0.92A 4dubB-2om5A:
undetectable
4dubB-2om5A:
23.05
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.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA


(Homo sapiens)
PF00104
(Hormone_recep)
5 PHE A 297
ALA A 291
GLY A 312
LEU A 309
VAL A 313
None
1.49A 4dubB-2p54A:
undetectable
4dubB-2p54A:
19.28
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens)
PF00067
(p450)
5 PHE A  98
ALA A  90
PRO A  34
LEU A  81
VAL A  68
None
1.33A 4dubB-2pg6A:
34.8
4dubB-2pg6A:
25.43
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.
2q04 ACETOIN UTILIZATION
PROTEIN


(Exiguobacterium
sibiricum)
PF00583
(Acetyltransf_1)
4 GLY A  16
PRO A  17
LEU A  11
VAL A  18
None
0.87A 4dubB-2q04A:
undetectable
4dubB-2q04A:
19.28
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.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE


(Homo sapiens)
PF00089
(Trypsin)
5 PHE U  59
ALA U 104
GLY U  44
LEU U 106
VAL U  52
None
1.28A 4dubB-2r2wU:
undetectable
4dubB-2r2wU:
20.04
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.
2r9y ALPHA-2-ANTIPLASMIN

(Mus musculus)
PF00079
(Serpin)
4 PHE A 382
ALA A 261
PRO A 276
VAL A 274
None
0.96A 4dubB-2r9yA:
undetectable
4dubB-2r9yA:
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.
2rkh PUTATIVE APHA-LIKE
TRANSCRIPTION FACTOR


(Magnetospirillum
magnetotacticum)
PF14557
(AphA_like)
4 ALA A  17
GLY A  84
LEU A  57
VAL A  63
None
0.94A 4dubB-2rkhA:
undetectable
4dubB-2rkhA:
15.47
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.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU


(Homo sapiens)
PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM)
4 PHE A  26
ALA A  62
GLY A  92
PRO A  91
None
0.92A 4dubB-2v5yA:
undetectable
4dubB-2v5yA:
21.64
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli)
PF01306
(LacY_symp)
4 ALA A 369
GLY A 380
LEU A 385
VAL A 384
None
0.80A 4dubB-2v8nA:
undetectable
4dubB-2v8nA:
21.02
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
4 PHE A 503
GLY A 292
PRO A 291
LEU A 363
None
0.95A 4dubB-2vl8A:
undetectable
4dubB-2vl8A:
22.15
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.
2vtw FIBER PROTEIN 2

(Fowl
aviadenovirus A)
PF16812
(AdHead_fibreRBD)
4 GLY A 395
PRO A 396
LEU A 253
VAL A 397
None
0.92A 4dubB-2vtwA:
undetectable
4dubB-2vtwA:
17.85
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.
2wkn FORMAMIDASE

(Delftia
acidovorans)
PF03069
(FmdA_AmdA)
4 GLY A  74
PRO A  75
LEU A 246
VAL A  76
None
0.94A 4dubB-2wknA:
undetectable
4dubB-2wknA:
21.79
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.
2wm4 PUTATIVE CYTOCHROME
P450 124


(Mycobacterium
tuberculosis)
PF00067
(p450)
4 GLY A 169
PRO A 170
LEU A 163
VAL A 164
None
0.85A 4dubB-2wm4A:
30.4
4dubB-2wm4A:
23.61
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN


(Homo sapiens)
PF00089
(Trypsin)
4 PHE S 184
GLY S 136
LEU S 158
VAL S 138
None
0.95A 4dubB-2wpmS:
undetectable
4dubB-2wpmS:
20.30
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.
2wsc PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLASTIC


(Spinacia
oleracea)
PF02605
(PsaL)
4 ALA L  82
GLY L  66
PRO L  67
VAL L  65
None
CLA  L1168 (-2.8A)
CLA  L1168 ( 4.0A)
None
0.94A 4dubB-2wscL:
undetectable
4dubB-2wscL:
20.09
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.
2wsc PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLASTIC


(Spinacia
oleracea)
PF02605
(PsaL)
4 ALA L  83
GLY L  72
PRO L  73
LEU L  86
None
None
CLA  H1079 ( 4.0A)
None
0.76A 4dubB-2wscL:
undetectable
4dubB-2wscL:
20.09
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE


(Thermotoga
maritima)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
4 GLY A 311
PRO A 312
LEU A 260
VAL A 276
None
0.63A 4dubB-2yxxA:
undetectable
4dubB-2yxxA:
23.08
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.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN


(Bacillus
subtilis)
PF01019
(G_glu_transpept)
4 ALA A  70
GLY A  60
LEU A  64
VAL A  63
None
0.90A 4dubB-3a75A:
undetectable
4dubB-3a75A:
24.18
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus)
PF01261
(AP_endonuc_2)
4 ALA A  53
GLY A  18
LEU A  57
VAL A  20
None
0.82A 4dubB-3aamA:
undetectable
4dubB-3aamA:
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.
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4


(Homo sapiens)
PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M)
4 PHE A 214
GLY A 230
PRO A 231
VAL A 211
None
0.81A 4dubB-3apmA:
undetectable
4dubB-3apmA:
21.40
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.
3aqs BACTERIAL REGULATORY
PROTEINS, TETR
FAMILY


(Corynebacterium
glutamicum)
PF00440
(TetR_N)
4 PHE A 128
ALA A 134
GLY A 173
LEU A 138
None
0.86A 4dubB-3aqsA:
undetectable
4dubB-3aqsA:
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.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
5 PHE A 306
ALA A 300
GLY A 321
LEU A 318
VAL A 322
None
1.40A 4dubB-3b0qA:
undetectable
4dubB-3b0qA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL


(Homo sapiens)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
4 PHE A 662
ALA A 648
GLY A 608
LEU A 643
None
0.94A 4dubB-3bg9A:
undetectable
4dubB-3bg9A:
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN


(Paracoccus
versutus)
PF06433
(Me-amine-dh_H)
4 ALA H 135
GLY H 203
LEU H 191
VAL H 205
None
0.83A 4dubB-3c75H:
undetectable
4dubB-3c75H:
19.73
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.
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25


(Homo sapiens)
PF05871
(ESCRT-II)
4 PHE C 175
ALA C 162
GLY C 108
LEU C 153
None
0.86A 4dubB-3cuqC:
undetectable
4dubB-3cuqC:
17.16
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 PHE A 248
ALA A 170
PRO A  95
LEU A  86
VAL A  83
None
1.50A 4dubB-3dbkA:
undetectable
4dubB-3dbkA:
21.60
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa)
PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C)
5 PHE A 248
ALA A 173
PRO A  95
LEU A  86
VAL A  83
None
1.27A 4dubB-3dbkA:
undetectable
4dubB-3dbkA:
21.60
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG


(Sulfolobus
solfataricus)
PF01890
(CbiG_C)
PF11760
(CbiG_N)
4 PHE A 266
GLY A 234
LEU A 239
VAL A 238
None
0.86A 4dubB-3eeqA:
undetectable
4dubB-3eeqA:
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.
3ez6 PLASMID PARTITION
PROTEIN A


(Escherichia
coli)
PF13614
(AAA_31)
5 PHE A 112
ALA A 263
GLY A 253
PRO A 254
LEU A 260
None
None
MG  A 399 ( 4.7A)
None
None
1.12A 4dubB-3ez6A:
undetectable
4dubB-3ez6A:
21.47
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.
3gbp GALACTOSE-BINDING
PROTEIN


(Salmonella
enterica)
PF13407
(Peripla_BP_4)
4 PHE A  16
ALA A 258
GLY A 109
VAL A 293
BGC  A 308 (-3.6A)
None
None
None
0.79A 4dubB-3gbpA:
undetectable
4dubB-3gbpA:
24.02
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.
3gbw E3 UBIQUITIN-PROTEIN
LIGASE MYCBP2


(Mus musculus)
PF08005
(PHR)
4 PHE A1256
ALA A1333
GLY A1266
LEU A1282
None
0.87A 4dubB-3gbwA:
undetectable
4dubB-3gbwA:
16.02
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.
3gym PROSTASIN

(Homo sapiens)
PF00089
(Trypsin)
5 PHE A  58
ALA A 104
GLY A  44
LEU A 106
VAL A  52
None
1.29A 4dubB-3gymA:
undetectable
4dubB-3gymA:
19.83
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1


(Mycobacterium
tuberculosis)
PF00464
(SHMT)
5 PHE A 279
ALA A 274
GLY A 231
LEU A 229
VAL A 225
None
1.37A 4dubB-3h7fA:
undetectable
4dubB-3h7fA:
23.12
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia)
PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
4 PHE C1428
ALA B 837
GLY C1472
LEU C1459
None
0.92A 4dubB-3hs0C:
undetectable
4dubB-3hs0C:
21.79
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.
3htu VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25


(Homo sapiens)
PF05871
(ESCRT-II)
4 PHE A 175
ALA A 162
GLY A 108
LEU A 153
None
0.85A 4dubB-3htuA:
undetectable
4dubB-3htuA:
10.17
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.
3ia0 ETHANOLAMINE
UTILIZATION PROTEIN
EUTS


(Escherichia
coli)
PF00936
(BMC)
4 ALA A  23
GLY A  84
LEU A  21
VAL A  86
None
0.86A 4dubB-3ia0A:
undetectable
4dubB-3ia0A:
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN


(Klebsiella
pneumoniae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 ALA A 260
GLY A 279
LEU A 296
VAL A 298
None
0.89A 4dubB-3io1A:
undetectable
4dubB-3io1A:
22.75
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.
3j1e CHAPERONIN BETA
SUBUNIT


(Acidianus
tengchongensis)
PF00118
(Cpn60_TCP1)
4 ALA A 519
GLY A 112
LEU A  89
VAL A  39
None
0.91A 4dubB-3j1eA:
undetectable
4dubB-3j1eA:
23.44
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus)
no annotation 4 ALA A 216
GLY A 309
LEU A 212
VAL A 311
None
0.94A 4dubB-3j3iA:
undetectable
4dubB-3j3iA:
19.92
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.
3js8 CHOLESTEROL OXIDASE

(Chromobacterium
sp. DS-1)
PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind)
4 PHE A 318
PRO A 447
LEU A 354
VAL A 356
None
0.71A 4dubB-3js8A:
undetectable
4dubB-3js8A:
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.
3kin KINESIN HEAVY CHAIN

(Rattus
norvegicus)
PF00225
(Kinesin)
4 PHE A  83
GLY B 263
LEU B 292
VAL B 265
None
0.83A 4dubB-3kinA:
undetectable
4dubB-3kinA:
19.96
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.
3kjx TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Ruegeria
pomeroyi)
PF00356
(LacI)
PF00532
(Peripla_BP_1)
4 ALA A 312
GLY A 125
LEU A  97
VAL A  69
None
0.93A 4dubB-3kjxA:
undetectable
4dubB-3kjxA:
22.27
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1


(Staphylococcus
aureus)
no annotation 4 ALA Q 160
GLY Q 172
LEU Q 245
VAL Q 247
None
0.95A 4dubB-3ksdQ:
undetectable
4dubB-3ksdQ:
21.33
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum)
PF01261
(AP_endonuc_2)
5 PHE A 254
ALA A 216
GLY A 227
LEU A 200
VAL A 198
None
None
EDO  A 341 (-3.6A)
None
None
1.38A 4dubB-3ktcA:
undetectable
4dubB-3ktcA:
22.65
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
4 PHE A 396
GLY A 127
LEU A 177
VAL A 126
None
0.90A 4dubB-3m49A:
undetectable
4dubB-3m49A:
22.49
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN


(Enterococcus
faecium)
PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI)
4 PHE A 417
GLY A 438
LEU A 401
VAL A 426
None
0.90A 4dubB-3m4xA:
undetectable
4dubB-3m4xA:
23.99
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4


(Saccharomyces
cerevisiae)
PF04564
(U-box)
PF10408
(Ufd2P_core)
5 PHE A 472
ALA A 476
GLY A 533
LEU A 390
VAL A 530
None
1.45A 4dubB-3m62A:
undetectable
4dubB-3m62A:
19.75
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.
3n2l OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Vibrio cholerae)
PF00156
(Pribosyltran)
4 ALA A  83
GLY A  70
PRO A  71
VAL A 124
None
0.94A 4dubB-3n2lA:
undetectable
4dubB-3n2lA:
20.92
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.
3paj NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE,
CARBOXYLATING


(Vibrio cholerae)
PF01729
(QRPTase_C)
PF02749
(QRPTase_N)
5 PHE A 294
ALA A  57
GLY A 107
PRO A 108
VAL A  84
None
1.43A 4dubB-3pajA:
undetectable
4dubB-3pajA:
21.67
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.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
4 PHE A 117
ALA A 115
PRO A   5
LEU A 112
None
0.93A 4dubB-3psgA:
undetectable
4dubB-3psgA:
19.70
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.
3pym GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
3


(Saccharomyces
cerevisiae)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
4 ALA A 159
GLY A 171
LEU A 243
VAL A 245
None
0.95A 4dubB-3pymA:
undetectable
4dubB-3pymA:
20.45
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.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II


(Bacillus
anthracis)
PF01116
(F_bP_aldolase)
4 ALA A 136
GLY A 169
LEU A 164
VAL A 165
None
0.90A 4dubB-3q94A:
undetectable
4dubB-3q94A:
19.83
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.
3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE


(Vibrio cholerae)
PF01648
(ACPS)
4 PHE A  76
ALA A  59
GLY A  66
LEU A  63
None
None
COA  A 129 (-3.4A)
None
0.86A 4dubB-3qmnA:
undetectable
4dubB-3qmnA:
15.17
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.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE


(Toxoplasma
gondii)
no annotation 4 ALA A  95
GLY A 138
PRO A 139
LEU A  99
None
0.89A 4dubB-3qyqA:
undetectable
4dubB-3qyqA:
22.43
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.
3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE


(Mycobacteroides
abscessus)
PF01259
(SAICAR_synt)
4 PHE A 289
ALA A  55
GLY A 294
PRO A 295
PHE  A 289 ( 1.3A)
ALA  A  55 ( 0.0A)
GLY  A 294 ( 0.0A)
PRO  A 295 ( 1.1A)
0.87A 4dubB-3r9rA:
undetectable
4dubB-3r9rA:
21.65
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 188
GLY A  94
PRO A  95
LEU A 157
None
0.72A 4dubB-3sheA:
undetectable
4dubB-3sheA:
22.96
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.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE


(Paraburkholderia
xenovorans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 PHE A  66
ALA A  70
GLY A  85
VAL A  47
None
0.95A 4dubB-3sn0A:
undetectable
4dubB-3sn0A:
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.
3tju GRANZYME H

(Homo sapiens)
PF00089
(Trypsin)
4 GLY A 222
PRO A 221
LEU A 159
VAL A 183
None
0.91A 4dubB-3tjuA:
undetectable
4dubB-3tjuA:
16.56
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.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus)
PF00067
(p450)
5 PHE A  95
ALA A  87
PRO A  31
LEU A  78
VAL A  65
None
1.36A 4dubB-3tk3A:
35.0
4dubB-3tk3A:
25.15
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.
3up4 OTEMO

(Pseudomonas
putida)
PF00743
(FMO-like)
4 PHE A  68
ALA A  96
GLY A  45
VAL A  44
None
0.93A 4dubB-3up4A:
undetectable
4dubB-3up4A:
22.72
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
4 ALA A 246
GLY A 223
LEU A 250
VAL A 227
None
0.88A 4dubB-3v4cA:
undetectable
4dubB-3v4cA:
21.97
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.
3vnx FERRITIN

(Ulva pertusa)
PF00210
(Ferritin)
4 PHE A  75
ALA A 124
GLY A 191
LEU A 183
None
0.86A 4dubB-3vnxA:
undetectable
4dubB-3vnxA:
18.09
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE


(Gluconobacter
oxydans)
PF00248
(Aldo_ket_red)
4 ALA A 217
GLY A 195
LEU A 200
VAL A 199
None
SO4  A 301 (-3.6A)
None
None
0.94A 4dubB-3wbxA:
undetectable
4dubB-3wbxA:
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides)
PF04244
(DPRP)
4 PHE A 372
ALA A 376
PRO A 335
LEU A 502
None
0.95A 4dubB-3zxsA:
undetectable
4dubB-3zxsA:
22.49
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.
4ap3 STEROID
MONOOXYGENASE


(Rhodococcus
rhodochrous)
PF00743
(FMO-like)
4 PHE A 436
GLY A 441
PRO A 442
LEU A 401
None
0.93A 4dubB-4ap3A:
undetectable
4dubB-4ap3A:
23.65
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE


(Sulfurisphaera
tokodaii)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 PHE A 272
ALA A 164
LEU A 126
VAL A 221
None
0.96A 4dubB-4dpkA:
undetectable
4dubB-4dpkA:
21.14
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)


(Mycobacterium
tuberculosis)
PF07993
(NAD_binding_4)
4 PHE A 166
GLY A 235
LEU A  28
VAL A 237
None
0.93A 4dubB-4dqvA:
undetectable
4dubB-4dqvA:
21.28