SIMILAR PATTERNS OF AMINO ACIDS FOR 3KPD_C_SAMC1000_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.
1b9l PROTEIN (EPIMERASE)

(Escherichia
coli) 		PF02152
(FolB) 		3 ASN A  56
ASN A  63
GLU A  89
 None
 0.86A 3kpdB-1b9lA:
0.0		 3kpdB-1b9lA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1byo PROTEIN
(PLASTOCYANIN)

(Silene
latifolia) 		PF00127
(Copper-bind) 		3 ASN A  38
ASN A  64
GLU A  68
 None
 0.88A 3kpdB-1byoA:
0.0		 3kpdB-1byoA:
22.69
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.
1fh0 CATHEPSIN V

(Homo sapiens) 		PF00112
(Peptidase_C1) 		3 ASN A 187
ASN A  18
GLU A 192
 None
 0.78A 3kpdB-1fh0A:
0.0		 3kpdB-1fh0A:
20.42
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.
1l4a S-SNAP25 FUSION
PROTEIN
S-SNAP25 FUSION
PROTEIN

(Doryteuthis
pealeii;
Doryteuthis
pealeii) 		no annotation
PF00835
(SNAP-25) 		3 ASN C  37
ASN D 156
GLU D 159
 ASN  C  37 ( 0.6A)
ASN  D 156 ( 0.6A)
GLU  D 159 ( 0.6A)
 0.91A 3kpdB-1l4aC:
undetectable		 3kpdB-1l4aC:
18.66
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.
1l8k T-CELL
PROTEIN-TYROSINE
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 ASN A 243
ASN A 250
GLU A  78
 None
 0.73A 3kpdB-1l8kA:
0.0		 3kpdB-1l8kA:
17.10
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		3 ASN A 324
ASN A 293
GLU A 167
 None
 0.87A 3kpdB-1mqsA:
undetectable		 3kpdB-1mqsA:
11.99
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.
1pg6 HYPOTHETICAL PROTEIN
SPYM3_0169

(Streptococcus
pyogenes) 		PF01987
(AIM24) 		3 ASN A 173
ASN A 219
GLU A 201
 None
 0.88A 3kpdB-1pg6A:
0.0		 3kpdB-1pg6A:
19.46
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ASN A 396
ASN A 548
GLU A 368
 None
 0.91A 3kpdB-1pvdA:
0.0		 3kpdB-1pvdA:
13.15
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.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ASN A 157
ASN A  95
GLU A 153
 None
 0.87A 3kpdB-1pxtA:
0.0		 3kpdB-1pxtA:
14.25
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 ASN A 102
ASN A  12
GLU A  69
 CA  A 905 (-3.5A)
CA  A 907 (-3.3A)
CA  A 906 ( 2.4A)
 0.86A 3kpdB-1q5aA:
undetectable		 3kpdB-1q5aA:
10.01
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.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 3 ASN B 186
ASN B 119
GLU B 138
 None
 0.83A 3kpdB-1rc2B:
undetectable		 3kpdB-1rc2B:
17.57
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		3 ASN A 499
ASN A 479
GLU A 149
 None
 0.82A 3kpdB-1thgA:
undetectable		 3kpdB-1thgA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		3 ASN A 167
ASN A 239
GLU A 333
 None
 0.94A 3kpdB-1up4A:
undetectable		 3kpdB-1up4A:
16.34
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ASN A 253
ASN A 277
GLU A 250
 None
 0.94A 3kpdB-1v9lA:
undetectable		 3kpdB-1v9lA:
15.07
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		3 ASN A 126
ASN A 129
GLU A 133
 None
 0.83A 3kpdB-1xfuA:
undetectable		 3kpdB-1xfuA:
9.89
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASN A 713
ASN A 686
GLU A 708
 None
 0.93A 3kpdB-1xkwA:
undetectable		 3kpdB-1xkwA:
10.72
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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		3 ASN A 195
ASN A 151
GLU A 143
 None
 0.76A 3kpdB-1ybiA:
undetectable		 3kpdB-1ybiA:
17.67
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.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		3 ASN A 184
ASN A 119
GLU A 134
 None
 0.89A 3kpdB-2b6oA:
undetectable		 3kpdB-2b6oA:
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
NONSPECIFIC
LIPID-TRANSFER
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16)
PF02036
(SCP2) 		3 ASN B 140
ASN A 561
GLU A 383
 None
 0.91A 3kpdB-2c0lB:
undetectable		 3kpdB-2c0lB:
20.00
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		3 ASN A 599
ASN A 499
GLU A 433
 None
 0.89A 3kpdB-2cvtA:
undetectable		 3kpdB-2cvtA:
10.37
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.
2gf6 CONSERVED
HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF13279
(4HBT_2) 		3 ASN A  81
ASN A   3
GLU A   5
 None
 0.91A 3kpdB-2gf6A:
undetectable		 3kpdB-2gf6A:
18.59
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 ASN A  24
ASN A  26
GLU A 205
 None
 0.85A 3kpdB-2it4A:
undetectable		 3kpdB-2it4A:
20.63
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.
2jnh E3 UBIQUITIN-PROTEIN
LIGASE CBL-B

(Homo sapiens) 		no annotation 3 ASN A   6
ASN A  33
GLU A  29
 None
 0.89A 3kpdB-2jnhA:
undetectable		 3kpdB-2jnhA:
24.00
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.
2jvr NUCLEOLAR PROTEIN 3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		3 ASN A  35
ASN A  88
GLU A 100
 None
 0.91A 3kpdB-2jvrA:
undetectable		 3kpdB-2jvrA:
24.63
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		3 ASN A 197
ASN A 202
GLU A 165
 None
 0.86A 3kpdB-2o0mA:
undetectable		 3kpdB-2o0mA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		3 ASN A 391
ASN A 396
GLU A 282
 None
 0.88A 3kpdB-2pg8A:
undetectable		 3kpdB-2pg8A:
13.73
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.
2plt PLASTOCYANIN

(Chlamydomonas
reinhardtii) 		PF00127
(Copper-bind) 		3 ASN A  38
ASN A  64
GLU A  68
 None
 0.91A 3kpdB-2pltA:
undetectable		 3kpdB-2pltA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp4 BILE SALT
SULFOTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 ASN A 230
ASN A  48
GLU A  52
 None
 0.93A 3kpdB-2qp4A:
undetectable		 3kpdB-2qp4A:
21.48
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.
2w1p AQUAPORIN PIP2-7
7


(Komagataella
pastoris) 		PF00230
(MIP) 		3 ASN A 224
ASN A 160
GLU A 175
 None
 0.89A 3kpdB-2w1pA:
undetectable		 3kpdB-2w1pA:
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		3 ASN A 659
ASN A 362
GLU A 358
 None
 0.91A 3kpdB-2w6dA:
undetectable		 3kpdB-2w6dA:
10.86
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		3 ASN A 595
ASN A 495
GLU A 434
 None
 0.86A 3kpdB-2wghA:
undetectable		 3kpdB-2wghA:
11.44
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		3 ASN A  53
ASN A  87
GLU A  95
 None
 0.72A 3kpdB-2xioA:
undetectable		 3kpdB-2xioA:
14.53
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.
3d5t MALATE DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ASN A 132
ASN A 135
GLU A 318
 None
 0.93A 3kpdB-3d5tA:
undetectable		 3kpdB-3d5tA:
17.67
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.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASN A 155
ASN A 188
GLU A 160
 None
 0.75A 3kpdB-3ddmA:
undetectable		 3kpdB-3ddmA:
13.07
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		3 ASN A  76
ASN A 162
GLU A 182
 None
 0.93A 3kpdB-3er6A:
undetectable		 3kpdB-3er6A:
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 ASN A 451
ASN A 418
GLU A 503
 None
 0.90A 3kpdB-3fn9A:
undetectable		 3kpdB-3fn9A:
10.31
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA
CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica;
Moorella
thermoacetica) 		PF03063
(Prismane)
PF03598
(CdhC) 		3 ASN A 202
ASN A 229
GLU M  37
 None
 0.74A 3kpdB-3i04A:
undetectable		 3kpdB-3i04A:
11.27
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		3 ASN A 153
ASN A 139
GLU A 356
 None
 0.77A 3kpdB-3ideA:
undetectable		 3kpdB-3ideA:
13.33
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.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 3 ASN A 438
ASN A 362
GLU A 431
 None
 0.92A 3kpdB-3j26A:
undetectable		 3kpdB-3j26A:
12.01
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.
3kkf PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Bacteroides
thetaiotaomicron) 		PF03992
(ABM) 		3 ASN A  79
ASN A  49
GLU A  46
 None
 0.93A 3kpdB-3kkfA:
undetectable		 3kpdB-3kkfA:
22.58
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.
3llq AQUAPORIN Z 2

(Agrobacterium
fabrum) 		PF00230
(MIP) 		3 ASN A 184
ASN A 117
GLU A 136
 None
 0.85A 3kpdB-3llqA:
undetectable		 3kpdB-3llqA:
19.14
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.
3lpx DNA GYRASE, A
SUBUNIT

(Colwellia
psychrerythraea) 		PF00521
(DNA_topoisoIV) 		3 ASN A 399
ASN A 401
GLU A 405
 None
 0.93A 3kpdB-3lpxA:
undetectable		 3kpdB-3lpxA:
12.77
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.
3m9i LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		3 ASN A 184
ASN A 119
GLU A 134
 None
 0.92A 3kpdB-3m9iA:
undetectable		 3kpdB-3m9iA:
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.
3nvx PROTEIN A39

(Vaccinia virus) 		PF01403
(Sema) 		3 ASN A  59
ASN A 107
GLU A  23
 None
 0.92A 3kpdB-3nvxA:
undetectable		 3kpdB-3nvxA:
16.27
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		3 ASN A 386
ASN A 383
GLU A 380
 None
 0.86A 3kpdB-3oz7A:
undetectable		 3kpdB-3oz7A:
15.93
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		3 ASN A 240
ASN A 243
GLU A 244
 None
 0.91A 3kpdB-3r9uA:
undetectable		 3kpdB-3r9uA:
19.86
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.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21) 		3 ASN A 484
ASN A 191
GLU A 428
 None
 0.76A 3kpdB-3s6pA:
undetectable		 3kpdB-3s6pA:
10.86
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.
3td7 FAD-LINKED
SULFHYDRYL OXIDASE
R596

(Acanthamoeba
polyphaga
mimivirus) 		PF04777
(Evr1_Alr) 		3 ASN A 279
ASN A 185
GLU A 285
 None
 0.93A 3kpdB-3td7A:
undetectable		 3kpdB-3td7A:
20.00
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		3 ASN A 122
ASN A  82
GLU A 125
 None
 0.81A 3kpdB-3tsyA:
undetectable		 3kpdB-3tsyA:
9.35
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 ASN A 403
ASN A 450
GLU A 656
 None
 0.75A 3kpdB-3viuA:
undetectable		 3kpdB-3viuA:
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		3 ASN A 345
ASN A 296
GLU A 369
 EDO  A1516 (-4.6A)
BGC  A1518 (-2.8A)
None
 0.89A 3kpdB-3zmrA:
undetectable		 3kpdB-3zmrA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dp0 PLASTOCYANIN B,
CHLOROPLASTIC

(Populus nigra) 		PF00127
(Copper-bind) 		3 ASN X  38
ASN X  64
GLU X  68
 None
 0.81A 3kpdB-4dp0X:
undetectable		 3kpdB-4dp0X:
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.
4f9z ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27

(Homo sapiens) 		no annotation 3 ASN D 205
ASN D 169
GLU D 216
 None
 0.81A 3kpdB-4f9zD:
undetectable		 3kpdB-4f9zD:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		3 ASN A 339
ASN A 449
GLU A 331
 MLI  A 601 (-3.7A)
MLI  A 601 (-4.0A)
None
 0.91A 3kpdB-4gn1A:
undetectable		 3kpdB-4gn1A:
21.88
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		3 ASN A 152
ASN A 154
GLU A 239
 None
 0.69A 3kpdB-4hqfA:
undetectable		 3kpdB-4hqfA:
16.01
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		3 ASN A 222
ASN A 153
GLU A 168
 None
 0.79A 3kpdB-4ia4A:
undetectable		 3kpdB-4ia4A:
19.64
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		3 ASN A 165
ASN A 158
GLU A  83
 None
 0.88A 3kpdB-4il5A:
undetectable		 3kpdB-4il5A:
18.07
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 ASN A 441
ASN A 407
GLU A 501
 None
 0.94A 3kpdB-4jklA:
undetectable		 3kpdB-4jklA:
12.13
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		3 ASN X  13
ASN X  36
GLU X  33
 None
 0.89A 3kpdB-4li3X:
undetectable		 3kpdB-4li3X:
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.
4m7s BTRN

(Bacillus
circulans) 		PF13186
(SPASM) 		3 ASN A 234
ASN A 236
GLU A 189
 None
 0.86A 3kpdB-4m7sA:
undetectable		 3kpdB-4m7sA:
23.63
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		3 ASN A 283
ASN A 170
GLU A 133
 None
 0.92A 3kpdB-4meaA:
undetectable		 3kpdB-4meaA:
18.40
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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		3 ASN A 184
ASN A 119
GLU A 134
 None
 0.87A 3kpdB-4nefA:
undetectable		 3kpdB-4nefA:
22.42
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.
4oj2 AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		3 ASN X 184
ASN X 119
GLU X 134
 None
 0.90A 3kpdB-4oj2X:
undetectable		 3kpdB-4oj2X:
20.72
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.
4p3z COPN

(Chlamydia
pneumoniae) 		PF07201
(HrpJ) 		3 ASN A 380
ASN A 382
GLU A 326
 None
 0.87A 3kpdB-4p3zA:
undetectable		 3kpdB-4p3zA:
12.86
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		3 ASN A 138
ASN A 175
GLU A 203
 None
 0.92A 3kpdB-4pspA:
undetectable		 3kpdB-4pspA:
12.33
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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 3 ASN C 242
ASN C 185
GLU C 183
 None
 0.94A 3kpdB-4rwtC:
undetectable		 3kpdB-4rwtC:
12.73
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		3 ASN A 369
ASN A 375
GLU A 379
 None
 0.89A 3kpdB-4wd9A:
undetectable		 3kpdB-4wd9A:
7.37
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		3 ASN A 179
ASN A 194
GLU A 176
 None
 0.92A 3kpdB-4x9nA:
undetectable		 3kpdB-4x9nA:
19.24
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.
4ye4 HT593.1 GP120

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		3 ASN G 465
ASN G 461
GLU G 468
 None
 0.74A 3kpdB-4ye4G:
undetectable		 3kpdB-4ye4G:
16.38
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		3 ASN A 250
ASN A 116
GLU A 258
 None
 0.86A 3kpdB-5bovA:
undetectable		 3kpdB-5bovA:
16.72
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.
5bsw 4-COUMARATE--COA
LIGASE 2

(Nicotiana
tabacum) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ASN A  86
ASN A  46
GLU A  89
 None
 0.93A 3kpdB-5bswA:
undetectable		 3kpdB-5bswA:
14.29
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.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		3 ASN A 316
ASN A 336
GLU A 358
 None
HEM  A 501 (-3.8A)
None
 0.90A 3kpdB-5c2iA:
undetectable		 3kpdB-5c2iA:
12.69
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		3 ASN A 160
ASN A 151
GLU A 223
 None
 0.91A 3kpdB-5dooA:
undetectable		 3kpdB-5dooA:
14.45
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		3 ASN A 372
ASN A 398
GLU A 479
 None
 0.83A 3kpdB-5dpdA:
undetectable		 3kpdB-5dpdA:
13.31
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASN A  78
ASN A  76
GLU A  90
 None
 0.93A 3kpdB-5fp1A:
undetectable		 3kpdB-5fp1A:
10.27
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		3 ASN G 442
ASN G 302
GLU G 381
 NAG  G4421 (-1.8A)
None
None
 0.83A 3kpdB-5fyjG:
undetectable		 3kpdB-5fyjG:
15.28
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.
5g26 INTIMIN

(Escherichia
coli) 		PF11924
(IAT_beta) 		3 ASN A 221
ASN A 362
GLU A 398
 None
 0.93A 3kpdB-5g26A:
undetectable		 3kpdB-5g26A:
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		3 ASN B 139
ASN B 164
GLU B 118
 None
 0.88A 3kpdB-5gqrB:
undetectable		 3kpdB-5gqrB:
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 ASN A 982
ASN A 989
GLU A 659
 None
 0.93A 3kpdB-5iy9A:
undetectable		 3kpdB-5iy9A:
4.99
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.
5joq LMO2184 PROTEIN

(Listeria
monocytogenes) 		PF01497
(Peripla_BP_2) 		3 ASN A 266
ASN A 275
GLU A 278
 None
 0.86A 3kpdB-5joqA:
undetectable		 3kpdB-5joqA:
18.12
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		3 ASN A 393
ASN A 398
GLU A 533
 None
None
EDO  A 803 (-4.0A)
 0.86A 3kpdB-5kvuA:
undetectable		 3kpdB-5kvuA:
10.77
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.
5nd1 CAPSID PROTEIN
CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1;
Rosellinia
necatrix
quadrivirus 1) 		no annotation
no annotation 		3 ASN A 939
ASN A 937
GLU B 916
 None
 0.73A 3kpdB-5nd1A:
undetectable		 3kpdB-5nd1A:
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.
5tpc BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ASN A 935
ASN A1051
GLU A 969
 None
 0.87A 3kpdB-5tpcA:
undetectable		 3kpdB-5tpcA:
14.52
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.
5uiv BIFUNCTIONAL
THYMIDYLATE/URIDYLAT
E KINASE

(Candida
albicans) 		PF02223
(Thymidylate_kin) 		3 ASN A  53
ASN A  48
GLU A 159
 None
None
TMP  A 301 ( 4.5A)
 0.82A 3kpdB-5uivA:
undetectable		 3kpdB-5uivA:
20.00
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.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 3 ASN A 200
ASN A 237
GLU A 240
 None
 0.84A 3kpdB-5wbgA:
undetectable		 3kpdB-5wbgA:
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.
5wk1 MAJOR CAPSID PROTEIN

(Pseudoalteromonas
phage TW1) 		no annotation 3 ASN A 264
ASN A 262
GLU A 219
 None
 0.79A 3kpdB-5wk1A:
undetectable		 3kpdB-5wk1A:
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.
5wvm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TWO-COMPONEN
T SYSTEM SENSOR
KINASE

(Escherichia
coli;
Serratia
marcescens) 		no annotation 3 ASN A 152
ASN A 229
GLU A 216
 None
 0.94A 3kpdB-5wvmA:
undetectable		 3kpdB-5wvmA:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 3 ASN A 420
ASN A 417
GLU A 518
 None
 0.87A 3kpdB-5x9wA:
undetectable		 3kpdB-5x9wA:
9.72
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 3 ASN A  12
ASN A  36
GLU A  33
 None
 0.93A 3kpdB-5xeoA:
undetectable		 3kpdB-5xeoA:
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 3 ASN A 148
ASN A 141
GLU A  67
 PLP  A 401 ( 4.8A)
ACT  A 403 (-3.9A)
None
 0.79A 3kpdB-5xeoA:
undetectable		 3kpdB-5xeoA:
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.
5xox TRNA(HIS)
GUANYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 ASN A 161
ASN A  46
GLU A 205
 None
 0.93A 3kpdB-5xoxA:
undetectable		 3kpdB-5xoxA:
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 3 ASN A 250
ASN A 252
GLU A 256
 None
 0.88A 3kpdB-5xwyA:
undetectable		 3kpdB-5xwyA:
7.38
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis) 		no annotation 3 ASN A  92
ASN A 153
GLU A  96
 None
 0.72A 3kpdB-5y3xA:
undetectable		 3kpdB-5y3xA:
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.
5yq7 PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii) 		no annotation 3 ASN L 240
ASN L 245
GLU L 236
 None
 0.90A 3kpdB-5yq7L:
undetectable		 3kpdB-5yq7L:
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.
6bpq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 8

(Ficedula
albicollis) 		no annotation 3 ASN A 789
ASN A 799
GLU A 782
 None
 0.94A 3kpdB-6bpqA:
undetectable		 3kpdB-6bpqA:
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 3 ASN B 419
ASN B 426
GLU B 549
 None
 0.94A 3kpdB-6bywB:
undetectable		 3kpdB-6bywB:
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 3 ASN A 264
ASN A 422
GLU A 260
 None
 0.87A 3kpdB-6cv0A:
undetectable		 3kpdB-6cv0A:
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.
6dft -

(-) 		no annotation 3 ASN B 294
ASN B 301
GLU B 290
 None
NA  A 501 ( 4.8A)
None
 0.59A 3kpdB-6dftB:
undetectable		 3kpdB-6dftB:
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.
6g3u -

(-) 		no annotation 3 ASN A 391
ASN A 396
GLU A 530
 None
 0.85A 3kpdB-6g3uA:
undetectable		 3kpdB-6g3uA:
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ASN A 173
ASN A 176
GLU A 362
 ZN  A 501 (-3.7A)
None
None
 0.93A 3kpdB-7mdhA:
undetectable		 3kpdB-7mdhA:
17.06