SIMILAR PATTERNS OF AMINO ACIDS FOR 4DU2_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.
1dub 2-ENOYL-COA
HYDRATASE


(Rattus
norvegicus)
PF00378
(ECH_1)
4 ALA A 154
PHE A 160
ALA A 138
ALA A 132
None
0.76A 4du2B-1dubA:
0.0
4du2B-1dubA:
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.
1hzf COMPLEMENT FACTOR
C4A


(Homo sapiens)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
4 ALA A1249
ALA A1202
ALA A1171
LEU A1198
None
0.93A 4du2B-1hzfA:
0.0
4du2B-1hzfA:
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.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2


(Cricetulus
griseus)
PF00478
(IMPDH)
PF00571
(CBS)
4 ALA A 320
PRO A 360
LEU A  55
THR A  56
None
0.85A 4du2B-1jr1A:
0.0
4du2B-1jr1A:
22.98
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.
1n11 ANKYRIN

(Homo sapiens)
PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5)
4 ALA A 610
ALA A 628
LEU A 606
THR A 604
None
0.89A 4du2B-1n11A:
0.0
4du2B-1n11A:
22.51
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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE


(Oryctolagus
cuniculus)
PF00248
(Aldo_ket_red)
4 ALA A 218
ALA A 253
PRO A 252
LEU A 235
None
NDP  A1003 (-3.3A)
None
None
0.86A 4du2B-1q5mA:
undetectable
4du2B-1q5mA:
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.
1t6p PHENYLALANINE
AMMONIA-LYASE


(Rhodotorula
toruloides)
PF00221
(Lyase_aromatic)
4 ALA A 506
ALA A 276
ALA A 417
THR A 421
None
0.88A 4du2B-1t6pA:
undetectable
4du2B-1t6pA:
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris)
PF00082
(Peptidase_S8)
4 ALA A  96
ALA A 235
ALA A  79
THR A  92
None
0.81A 4du2B-1thmA:
0.0
4du2B-1thmA:
18.35
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.
1vqz LIPOATE-PROTEIN
LIGASE, PUTATIVE


(Streptococcus
pneumoniae)
PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C)
4 ALA A 116
PHE A 131
LEU A 109
THR A 108
None
0.86A 4du2B-1vqzA:
0.0
4du2B-1vqzA:
21.31
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT


(Corynebacterium
sp. U-96)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4)
4 ALA A 141
ALA A 247
ALA A 427
THR A 430
None
None
NAD  A1002 ( 4.0A)
None
0.86A 4du2B-1vrqA:
0.0
4du2B-1vrqA:
18.87
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT


(Homo sapiens)
PF13472
(Lipase_GDSL_2)
4 ALA A 120
ALA A 115
ALA A   9
THR A  78
None
0.81A 4du2B-1vyhA:
undetectable
4du2B-1vyhA:
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 ALA A 128
ALA A  99
ALA A 120
THR A 124
None
0.73A 4du2B-1xfcA:
undetectable
4du2B-1xfcA:
24.80
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.
1xkd ISOCITRATE
DEHYDROGENASE


(Aeropyrum
pernix)
PF00180
(Iso_dh)
4 ALA A 305
ALA A 248
LEU A 212
THR A 209
None
0.89A 4du2B-1xkdA:
undetectable
4du2B-1xkdA:
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
4 ALA A  15
ALA A 110
ALA A 313
THR A 316
None
None
FAD  A 601 ( 3.7A)
None
0.90A 4du2B-2bc0A:
undetectable
4du2B-2bc0A:
21.50
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.
2cre HEF-LIKE PROTEIN

(Homo sapiens)
PF14604
(SH3_9)
4 ALA A  57
PHE A  26
ALA A  12
LEU A  62
None
0.88A 4du2B-2creA:
undetectable
4du2B-2creA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus)
PF01425
(Amidase)
4 ALA A 206
PHE A  76
ALA A 196
LEU A 193
None
0.91A 4du2B-2dc0A:
undetectable
4du2B-2dc0A:
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE


(Leuconostoc
mesenteroides)
PF00479
(G6PD_N)
PF02781
(G6PD_C)
4 ALA A 317
PHE A 315
ALA A 287
ALA A 469
None
0.90A 4du2B-2dpgA:
undetectable
4du2B-2dpgA:
22.51
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT


(Stenotrophomonas
maltophilia)
PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
4 ALA A 142
ALA A 248
ALA A 428
THR A 431
None
NAD  A 999 (-4.8A)
NAD  A 999 ( 4.1A)
None
0.87A 4du2B-2gahA:
undetectable
4du2B-2gahA:
18.04
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.
2gs4 PROTEIN YCIF

(Escherichia
coli)
PF05974
(DUF892)
5 ALA A 106
PHE A  44
ALA A  43
LEU A 150
THR A 146
None
1.42A 4du2B-2gs4A:
undetectable
4du2B-2gs4A:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
5 ALA A 314
ALA A 256
ALA A 170
PRO A 169
LEU A 167
None
1.30A 4du2B-2i3aA:
undetectable
4du2B-2i3aA:
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.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE


(Geobacillus
kaustophilus)
PF00378
(ECH_1)
4 ALA A 133
PHE A 139
ALA A 117
ALA A 111
None
0.76A 4du2B-2iexA:
undetectable
4du2B-2iexA:
20.97
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.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2


(Homo sapiens)
PF00248
(Aldo_ket_red)
4 ALA A 218
ALA A 253
PRO A 252
LEU A 235
None
NAP  A   1 (-3.5A)
BME  A 327 (-4.5A)
None
0.92A 4du2B-2ipjA:
undetectable
4du2B-2ipjA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oix XANTHOMONAS OUTER
PROTEIN D


(Xanthomonas
euvesicatoria)
PF02902
(Peptidase_C48)
4 ALA A 482
PHE A 366
ALA A 352
ALA A 361
None
0.94A 4du2B-2oixA:
undetectable
4du2B-2oixA:
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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE


(Trichormus
variabilis)
PF13527
(Acetyltransf_9)
PF13530
(SCP2_2)
4 ALA A 120
PRO A 119
LEU A 124
THR A 121
COA  A 500 (-3.1A)
None
COA  A 500 (-3.5A)
COA  A 500 (-3.1A)
0.90A 4du2B-2ozgA:
undetectable
4du2B-2ozgA:
21.72
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I


(Geobacillus
kaustophilus)
PF00378
(ECH_1)
4 ALA A 122
PHE A 128
ALA A 106
ALA A 100
None
0.78A 4du2B-2pbpA:
undetectable
4du2B-2pbpA:
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.
2qa2 POLYKETIDE OXYGENASE
CABE


(Streptomyces)
PF01494
(FAD_binding_3)
4 PHE A 176
ALA A 235
ALA A 218
PRO A 219
None
0.70A 4du2B-2qa2A:
undetectable
4du2B-2qa2A:
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.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida)
PF00724
(Oxidored_FMN)
4 ALA A 313
PHE A 327
ALA A 324
LEU A  11
None
0.88A 4du2B-2r14A:
undetectable
4du2B-2r14A:
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.
2uzf NAPHTHOATE SYNTHASE

(Staphylococcus
aureus)
PF00378
(ECH_1)
4 ALA A 134
PHE A 140
ALA A 118
ALA A 112
None
0.81A 4du2B-2uzfA:
undetectable
4du2B-2uzfA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens)
PF00754
(F5_F8_type_C)
4 ALA A  93
PHE A 108
ALA A  83
THR A  90
None
0.77A 4du2B-2v72A:
undetectable
4du2B-2v72A:
16.08
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.
2xko PIPX

(Synechococcus
elongatus)
PF12058
(DUF3539)
4 ALA C  57
PHE C  88
ALA C  29
LEU C  27
None
0.79A 4du2B-2xkoC:
undetectable
4du2B-2xkoC:
11.03
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES


(Corynebacterium
glutamicum)
PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4)
4 ALA A 197
ALA A 343
ALA A 386
THR A 388
None
0.91A 4du2B-3c4qA:
undetectable
4du2B-3c4qA:
23.92
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE


(Homo sapiens)
PF00288
(GHMP_kinases_N)
4 ALA A 135
ALA A  14
PRO A  15
LEU A 163
None
0.87A 4du2B-3d4jA:
undetectable
4du2B-3d4jA:
22.66
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN


(Aeropyrum
pernix)
PF13458
(Peripla_BP_6)
4 ALA A 206
ALA A 169
ALA A 412
PRO A 413
None
0.62A 4du2B-3eafA:
undetectable
4du2B-3eafA:
21.86
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.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE


(Mus musculus)
PF00288
(GHMP_kinases_N)
4 ALA A 135
ALA A  14
PRO A  15
LEU A 163
None
0.87A 4du2B-3f0nA:
undetectable
4du2B-3f0nA:
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.
3fmf DETHIOBIOTIN
SYNTHETASE


(Mycobacterium
tuberculosis)
PF13500
(AAA_26)
4 ALA A  21
PHE A 216
ALA A 194
LEU A 196
None
0.90A 4du2B-3fmfA:
undetectable
4du2B-3fmfA:
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.
3fqd 5'-3'
EXORIBONUCLEASE 2


(Schizosaccharomyces
pombe)
PF03159
(XRN_N)
4 ALA A 380
PHE A 332
LEU A 369
THR A 370
None
0.61A 4du2B-3fqdA:
undetectable
4du2B-3fqdA:
21.17
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis)
PF08794
(Lipoprot_C)
4 ALA D  84
PHE D 141
ALA D  79
LEU D 133
None
0.80A 4du2B-3kvdD:
undetectable
4du2B-3kvdD:
20.13
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE


(Mus musculus)
PF00248
(Aldo_ket_red)
4 ALA A 218
ALA A 253
PRO A 252
LEU A 235
NAD  A 327 (-4.9A)
NAD  A 327 (-3.4A)
None
None
0.94A 4du2B-3ln3A:
undetectable
4du2B-3ln3A:
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.
3mkh NITROALKANE OXIDASE

(Podospora
anserina)
PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N)
4 ALA A 354
ALA A 274
ALA A 334
THR A 331
None
0.85A 4du2B-3mkhA:
undetectable
4du2B-3mkhA:
23.88
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.
3moy PROBABLE ENOYL-COA
HYDRATASE


(Mycolicibacterium
smegmatis)
PF00378
(ECH_1)
4 ALA A 123
PHE A 129
ALA A 107
ALA A 101
None
0.80A 4du2B-3moyA:
undetectable
4du2B-3moyA:
20.43
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.
3no5 UNCHARACTERIZED
PROTEIN


(Cupriavidus
pinatubonensis)
PF05853
(BKACE)
4 ALA A 264
ALA A  43
ALA A  75
PRO A  76
None
0.75A 4du2B-3no5A:
undetectable
4du2B-3no5A:
21.12
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.
3pdg FIBRONECTIN(III)-LIK
E MODULE


(Ruminiclostridium
thermocellum)
no annotation 4 ALA A  23
PHE A  36
ALA A  53
PRO A  50
None
None
None
NA  A  99 (-4.3A)
0.88A 4du2B-3pdgA:
undetectable
4du2B-3pdgA:
14.01
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.
3plw RECOMBINATION
ENHANCEMENT FUNCTION
PROTEIN


(Escherichia
virus P1)
PF16786
(RecA_dep_nuc)
4 ALA A  98
PHE A 164
PRO A 128
LEU A 174
ZN  A 188 ( 4.6A)
None
None
None
0.71A 4du2B-3plwA:
undetectable
4du2B-3plwA:
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.
3pve AGRIN, AGRIN PROTEIN

(Mus musculus)
PF00054
(Laminin_G_1)
4 ALA A1531
PHE A1511
ALA A1596
ALA A1600
None
0.88A 4du2B-3pveA:
undetectable
4du2B-3pveA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q0g ENOYL-COA HYDRATASE
ECHA8


(Mycobacterium
tuberculosis)
PF00378
(ECH_1)
4 ALA A 121
PHE A 127
ALA A 105
ALA A  99
None
0.82A 4du2B-3q0gA:
undetectable
4du2B-3q0gA:
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua)
PF00294
(PfkB)
4 PHE A  50
ALA A 259
ALA A 274
THR A 270
None
0.89A 4du2B-3q1yA:
undetectable
4du2B-3q1yA:
23.03
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.
3qka ENOYL-COA HYDRATASE,
ECHA5


(Mycobacterium
marinum)
PF00378
(ECH_1)
4 ALA A 120
PHE A 126
ALA A 104
ALA A  98
None
0.76A 4du2B-3qkaA:
undetectable
4du2B-3qkaA:
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.
3qxi ENOYL-COA HYDRATASE
ECHA1


(Mycobacterium
marinum)
PF00378
(ECH_1)
4 ALA A 124
PHE A 130
ALA A 108
ALA A 102
None
0.80A 4du2B-3qxiA:
undetectable
4du2B-3qxiA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0o CARNITINYL-COA
DEHYDRATASE


(Mycobacterium
avium)
PF00378
(ECH_1)
4 ALA A 130
PHE A 136
ALA A 114
ALA A 108
None
0.79A 4du2B-3r0oA:
undetectable
4du2B-3r0oA:
20.89
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.
3r9s CARNITINYL-COA
DEHYDRATASE


(Mycobacterium
avium)
PF00378
(ECH_1)
4 ALA A 124
PHE A 130
ALA A 108
ALA A 102
None
0.75A 4du2B-3r9sA:
undetectable
4du2B-3r9sA:
21.63
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.
3sll PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE


(Mycobacteroides
abscessus)
PF00378
(ECH_1)
4 ALA A 129
PHE A 135
ALA A 113
ALA A 107
None
0.87A 4du2B-3sllA:
undetectable
4du2B-3sllA:
22.06
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
4 PHE A 701
ALA A 709
LEU A 730
THR A 732
None
0.89A 4du2B-3sunA:
undetectable
4du2B-3sunA:
20.40
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.
3upn PENICILLIN-BINDING
PROTEIN A


(Mycobacterium
tuberculosis)
PF00905
(Transpeptidase)
4 ALA A 230
PHE A 305
ALA A 390
ALA A 396
None
0.78A 4du2B-3upnA:
undetectable
4du2B-3upnA:
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ


(Streptoalloteichus
tenebrarius)
PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C)
4 ALA A 347
PHE A 125
ALA A  19
LEU A  21
None
0.85A 4du2B-3vexA:
undetectable
4du2B-3vexA:
22.85
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium)
no annotation 4 ALA B 215
PHE B 223
ALA B 222
ALA B 571
None
0.82A 4du2B-3x17B:
undetectable
4du2B-3x17B:
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.
4a7l MYOSIN IE HEAVY
CHAIN


(Dictyostelium
discoideum)
PF00063
(Myosin_head)
4 PHE C 146
ALA C 252
LEU C 256
THR C 255
None
0.90A 4du2B-4a7lC:
undetectable
4du2B-4a7lC:
20.31
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.
4axs CARBAMATE KINASE

(Mycoplasma
penetrans)
PF00696
(AA_kinase)
4 ALA A 274
PHE A 225
ALA A 217
ALA A 212
None
0.87A 4du2B-4axsA:
undetectable
4du2B-4axsA:
21.31
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.
4cx9 CYTOCHROME C, CLASS
II


(Shewanella
frigidimarina)
PF01322
(Cytochrom_C_2)
4 PHE A  41
ALA A  45
ALA A 110
THR A 114
None
0.76A 4du2B-4cx9A:
undetectable
4du2B-4cx9A:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER


(Escherichia
coli)
PF13520
(AA_permease_2)
4 ALA A 370
ALA A 352
LEU A 356
THR A 357
None
0.88A 4du2B-4djiA:
1.0
4du2B-4djiA:
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.
4emy AMINOTRANSFERASE
CLASS I AND II


(Anaerococcus
prevotii)
PF00155
(Aminotran_1_2)
4 ALA A 103
ALA A 302
ALA A  73
PRO A  74
None
0.70A 4du2B-4emyA:
undetectable
4du2B-4emyA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Vibrio cholerae)
PF00478
(IMPDH)
PF00571
(CBS)
4 ALA A 296
PRO A 336
LEU A  36
THR A  37
None
0.86A 4du2B-4fxsA:
undetectable
4du2B-4fxsA:
22.88
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.
4fxt UNCHARACTERIZED
PROTEIN


(Bacteroides
ovatus)
PF12866
(DUF3823)
4 ALA A  36
PHE A  52
ALA A  92
PRO A  93
None
0.84A 4du2B-4fxtA:
undetectable
4du2B-4fxtA:
19.69
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE


(Escherichia
coli)
PF00378
(ECH_1)
4 ALA A 119
PHE A 125
ALA A 103
ALA A  97
None
0.75A 4du2B-4fzwA:
undetectable
4du2B-4fzwA:
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.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC)
4 PHE A 272
ALA A 305
ALA A 245
THR A 249
None
0.75A 4du2B-4htgA:
undetectable
4du2B-4htgA:
21.85
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.
4hzs ACTIVATED CDC42
KINASE 1


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF14604
(SH3_9)
4 ALA A 298
ALA A 369
ALA A 310
THR A 313
None
0.79A 4du2B-4hzsA:
undetectable
4du2B-4hzsA:
23.34
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.
4i4z NAPHTHOATE SYNTHASE

(Synechocystis
sp. PCC 6803)
PF00378
(ECH_1)
4 ALA A 136
PHE A 142
ALA A 120
ALA A 114
None
0.79A 4du2B-4i4zA:
undetectable
4du2B-4i4zA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4id7 ACTIVATED CDC42
KINASE 1


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 ALA A 298
ALA A 369
ALA A 310
THR A 313
None
0.80A 4du2B-4id7A:
undetectable
4du2B-4id7A:
21.11
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.
4io6 AVGLUR1 LIGAND
BINDING DOMAIN


(Adineta vaga)
PF00497
(SBP_bac_3)
4 ALA A  73
ALA A  82
ALA A  61
PRO A  62
None
0.79A 4du2B-4io6A:
undetectable
4du2B-4io6A:
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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Vibrio cholerae)
PF00478
(IMPDH)
4 ALA A 296
PRO A 336
LEU A  36
THR A  37
None
0.89A 4du2B-4ix2A:
undetectable
4du2B-4ix2A:
21.22
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.
4ixw HALOHYDRIN
DEHALOGENASE


(Agrobacterium
tumefaciens)
PF13561
(adh_short_C2)
5 ALA A 134
ALA A 150
ALA A 174
PRO A 175
THR A 131
IXW  A 302 (-3.5A)
None
None
IXW  A 302 (-4.6A)
None
1.06A 4du2B-4ixwA:
undetectable
4du2B-4ixwA:
20.89
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666)
PF00378
(ECH_1)
4 ALA A 125
PHE A 131
ALA A 109
ALA A 103
None
0.70A 4du2B-4jfcA:
undetectable
4du2B-4jfcA:
21.41
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.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Campylobacter
jejuni)
PF00478
(IMPDH)
4 ALA A 290
PRO A 330
LEU A  33
THR A  34
None
0.86A 4du2B-4mz1A:
undetectable
4du2B-4mz1A:
22.03
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.
4nzs BETA-KETOTHIOLASE
BKTB


(Cupriavidus
necator)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
4 ALA A 257
PHE A  54
ALA A 117
THR A  13
None
0.74A 4du2B-4nzsA:
undetectable
4du2B-4nzsA:
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.
4ojz PUTATIVE ALGINATE
LYASE


(Saccharophagus
degradans)
PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III)
4 ALA A 503
ALA A 404
ALA A 387
THR A 407
None
0.76A 4du2B-4ojzA:
undetectable
4du2B-4ojzA:
21.24
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.
4ov6 PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9


(Homo sapiens)
PF00082
(Peptidase_S8)
4 ALA B 305
ALA B 300
ALA B 330
PRO B 331
None
0.87A 4du2B-4ov6B:
undetectable
4du2B-4ov6B:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p7y METHIONINE
GAMMA-LYASE


(Citrobacter
freundii)
PF01053
(Cys_Met_Meta_PP)
4 ALA A 109
ALA A 137
ALA A 159
THR A 157
None
0.85A 4du2B-4p7yA:
undetectable
4du2B-4p7yA:
22.61
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.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2


(Homo sapiens)
PF01463
(LRRCT)
PF13855
(LRR_8)
4 PHE A 103
ALA A 128
ALA A 158
LEU A 132
None
0.81A 4du2B-4v2dA:
undetectable
4du2B-4v2dA:
21.05
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.
4wop ATP-DEPENDENT
DETHIOBIOTIN
SYNTHETASE BIOD


(Mycobacterium
tuberculosis)
PF13500
(AAA_26)
4 ALA A  21
PHE A 216
ALA A 194
LEU A 196
None
None
None
CTP  A 301 ( 4.4A)
0.84A 4du2B-4wopA:
undetectable
4du2B-4wopA:
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.
4z0m ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis)
PF00378
(ECH_1)
4 ALA A 120
PHE A 126
ALA A 104
ALA A  98
None
0.74A 4du2B-4z0mA:
undetectable
4du2B-4z0mA:
19.62
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.
4zjm LIPOPROTEIN LPQH

(Mycobacterium
tuberculosis)
PF05481
(Myco_19_kDa)
4 ALA C 100
PHE C 131
ALA C 115
THR C  92
None
0.89A 4du2B-4zjmC:
undetectable
4du2B-4zjmC:
13.40
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli)
PF03243
(MerB)
PF12324
(HTH_15)
4 ALA A 192
ALA A  97
LEU A 101
THR A 100
None
0.88A 4du2B-5c0uA:
undetectable
4du2B-5c0uA:
19.31
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.
5c17 MERB2

(Bacillus
megaterium)
PF03243
(MerB)
4 ALA A 197
ALA A 103
LEU A 107
THR A 106
None
0.82A 4du2B-5c17A:
undetectable
4du2B-5c17A:
20.13
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.
5e3c DIPEPTIDYL PEPTIDASE
3


(Homo sapiens)
PF03571
(Peptidase_M49)
4 ALA A 217
PHE A 314
ALA A  47
LEU A 255
None
0.93A 4du2B-5e3cA:
undetectable
4du2B-5e3cA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE


(Bacillus
megaterium)
PF00067
(p450)
4 ALA A 264
ALA A 328
PRO A 329
THR A 438
HEM  A 501 (-3.6A)
HEM  A 501 ( 3.8A)
None
None
0.46A 4du2B-5e78A:
63.6
4du2B-5e78A:
97.58
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.
5ed7 TEGUMENT PROTEIN
UL21


(Human
alphaherpesvirus
1)
PF03252
(Herpes_UL21)
4 ALA A 461
PRO A 418
LEU A 482
THR A 483
None
0.92A 4du2B-5ed7A:
undetectable
4du2B-5ed7A:
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE


(Micromonospora
griseorubida)
PF00067
(p450)
4 ALA A 233
PRO A 137
LEU A 131
THR A 132
None
0.78A 4du2B-5foiA:
33.4
4du2B-5foiA:
24.25
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Mus musculus)
PF00145
(DNA_methylase)
PF01426
(BAH)
4 ALA A1581
PHE A1561
ALA A1556
THR A1528
SAH  A1701 (-3.5A)
None
None
None
0.89A 4du2B-5gutA:
undetectable
4du2B-5gutA:
19.47
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC


(Rhodobacter
sphaeroides)
no annotation 4 ALA E 156
ALA E 108
ALA E 127
THR E 128
None
None
PX4  E 301 ( 4.8A)
None
0.82A 4du2B-5h36E:
undetectable
4du2B-5h36E:
18.47
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis)
PF09663
(Amido_AtzD_TrzD)
4 ALA A  94
ALA A  56
ALA A  18
LEU A  12
None
0.80A 4du2B-5hxzA:
undetectable
4du2B-5hxzA:
21.18
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.
5jpn COMPLEMENT C4-A

(Homo sapiens)
PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
4 ALA B1268
ALA B1221
ALA B1190
LEU B1217
None
A2G  B1508 (-4.5A)
None
None
0.85A 4du2B-5jpnB:
undetectable
4du2B-5jpnB:
21.11
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC


(Streptomyces
sp. BC16019)
PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N)
4 ALA A 294
ALA A 485
ALA A 180
THR A 177
None
0.85A 4du2B-5lhkA:
undetectable
4du2B-5lhkA:
21.85
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.
5n8o DNA HELICASE I

(Escherichia
coli)
PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30)
4 ALA A1415
ALA A1432
ALA A1402
THR A1231
None
0.91A 4du2B-5n8oA:
undetectable
4du2B-5n8oA:
13.81
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.
5uai METHIONYL-TRNA
FORMYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C)
4 PHE A 306
ALA A 244
PRO A 245
LEU A 287
None
0.86A 4du2B-5uaiA:
undetectable
4du2B-5uaiA:
23.47
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D


(Methylobacterium
extorquens)
no annotation 4 ALA D 153
ALA D 209
ALA D 217
LEU D 149
None
0.88A 4du2B-5vrdD:
undetectable
4du2B-5vrdD:
10.49
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.
6bi4 DTDP-GLUCOSE
4,6-DEHYDRATASE


(Bacillus
anthracis)
no annotation 4 ALA A   9
ALA A  82
ALA A  34
THR A  36
NAD  A 402 (-3.8A)
NAD  A 402 (-3.5A)
NAD  A 402 (-3.6A)
NAD  A 402 (-3.2A)
0.91A 4du2B-6bi4A:
undetectable
4du2B-6bi4A:
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.
6bo0 MDBA PROTEIN

(Corynebacterium
matruchotii)
no annotation 4 ALA A 178
ALA A 192
ALA A 138
THR A 141
None
0.93A 4du2B-6bo0A:
undetectable
4du2B-6bo0A:
10.05
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa)
no annotation 4 ALA A 809
PHE A 773
ALA A 797
ALA A 828
None
0.84A 4du2B-6bv2A:
undetectable
4du2B-6bv2A:
13.27
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR


(Pseudomonas
aeruginosa)
no annotation 4 ALA A 214
ALA A 230
LEU A 176
THR A 181
None
0.91A 4du2B-6cc0A:
undetectable
4du2B-6cc0A:
10.43
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER


(Enterococcus
casseliflavus)
no annotation 4 ALA A 155
ALA A  28
ALA A 188
THR A 191
None
0.81A 4du2B-6d0nA:
undetectable
4du2B-6d0nA:
10.32
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 4 ALA D 398
PHE D   9
ALA D   8
ALA D 449
None
0.90A 4du2B-6eq8D:
undetectable
4du2B-6eq8D:
11.02
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.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3


(Homo sapiens)
no annotation 4 ALA A 218
ALA A 253
PRO A 252
LEU A 235
None
NAP  A 401 (-3.4A)
None
None
0.91A 4du2B-6f2uA:
undetectable
4du2B-6f2uA:
9.87