SIMILAR PATTERNS OF AMINO ACIDS FOR 5KMF_A_6U9A1301_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.
1aol GP70

(Murine leukemia
virus) 		PF00429
(TLV_coat) 		4 THR A 203
GLY A 204
TYR A 162
ILE A 163
 None
 0.88A 5kmfA-1aolA:
undetectable
5kmfC-1aolA:
undetectable		 5kmfA-1aolA:
18.15
5kmfC-1aolA:
18.15
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 574
GLY A 576
GLU A 577
ILE A 565
 None
 0.81A 5kmfA-1bhyA:
0.6
5kmfC-1bhyA:
0.2		 5kmfA-1bhyA:
19.65
5kmfC-1bhyA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ctm CYTOCHROME F

(Brassica rapa) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 GLY A  80
GLU A  79
TYR A 146
ILE A 243
 None
 0.67A 5kmfA-1ctmA:
undetectable
5kmfC-1ctmA:
undetectable		 5kmfA-1ctmA:
21.09
5kmfC-1ctmA:
21.09
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 177
GLU A  68
PHE A  92
ILE A  38
 None
 0.92A 5kmfA-1e3eA:
undetectable
5kmfC-1e3eA:
0.0		 5kmfA-1e3eA:
20.83
5kmfC-1e3eA:
20.83
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.
1gyq PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Leishmania
mexicana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 265
GLY A 184
PHE A 183
ILE A 174
 None
 0.93A 5kmfA-1gyqA:
0.0
5kmfC-1gyqA:
0.0		 5kmfA-1gyqA:
20.73
5kmfC-1gyqA:
20.73
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 GLY A 568
GLU A 571
PHE A 569
ILE A 561
 None
 0.85A 5kmfA-1i2dA:
0.0
5kmfC-1i2dA:
undetectable		 5kmfA-1i2dA:
19.79
5kmfC-1i2dA:
19.79
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A 296
GLU A 280
PHE A 297
TYR A 241
 None
 0.95A 5kmfA-1jnyA:
undetectable
5kmfC-1jnyA:
undetectable		 5kmfA-1jnyA:
21.54
5kmfC-1jnyA:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 THR A 157
GLY A  23
PHE A  22
ILE A 148
 None
NDP  A 194 (-3.3A)
NDP  A 194 (-3.6A)
None
 0.86A 5kmfA-1juvA:
undetectable
5kmfC-1juvA:
undetectable		 5kmfA-1juvA:
22.76
5kmfC-1juvA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 GLY A 420
PHE A 421
TYR A 444
ILE A 462
 None
 0.95A 5kmfA-1jxkA:
undetectable
5kmfC-1jxkA:
0.0		 5kmfA-1jxkA:
18.18
5kmfC-1jxkA:
18.18
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.
1k6d ACETATE
COA-TRANSFERASE
ALPHA SUBUNIT

(Escherichia
coli) 		PF01144
(CoA_trans) 		4 THR A  31
GLY A  25
PHE A  26
ILE A 104
 None
 0.91A 5kmfA-1k6dA:
undetectable
5kmfC-1k6dA:
undetectable		 5kmfA-1k6dA:
22.11
5kmfC-1k6dA:
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.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF00215
(OMPdecase) 		4 GLY A 217
GLU A 220
TYR A  37
ILE A  38
 None
 0.74A 5kmfA-1losA:
undetectable
5kmfC-1losA:
undetectable		 5kmfA-1losA:
21.90
5kmfC-1losA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 GLY A  85
GLU A  42
PHE A  39
ILE A  82
 None
 0.82A 5kmfA-1narA:
0.0
5kmfC-1narA:
undetectable		 5kmfA-1narA:
20.18
5kmfC-1narA:
20.18
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 THR A  68
GLY A  70
GLU A 126
ILE A  12
 G  A1167 (-4.7A)
None
G  A1167 (-3.6A)
None
 0.79A 5kmfA-1p16A:
undetectable
5kmfC-1p16A:
undetectable		 5kmfA-1p16A:
21.97
5kmfC-1p16A:
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.
1q90 APOCYTOCHROME F

(Chlamydomonas
reinhardtii) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 GLY A  80
GLU A  79
TYR A 146
ILE A 244
 None
 0.79A 5kmfA-1q90A:
undetectable
5kmfC-1q90A:
undetectable		 5kmfA-1q90A:
19.18
5kmfC-1q90A:
19.18
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		4 THR A 171
GLY A 209
TYR A 385
ILE A 355
 None
 0.83A 5kmfA-1r6vA:
undetectable
5kmfC-1r6vA:
0.0		 5kmfA-1r6vA:
17.82
5kmfC-1r6vA:
17.82
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.
1ru1 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE

(Escherichia
coli) 		PF01288
(HPPK) 		4 GLY A 102
PHE A 101
TYR A   4
ILE A   5
 None
 0.90A 5kmfA-1ru1A:
undetectable
5kmfC-1ru1A:
undetectable		 5kmfA-1ru1A:
19.23
5kmfC-1ru1A:
19.23
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.
1tu2 APOCYTOCHROME F

(Nostoc sp. PCC
7119) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 GLY B  81
GLU B  80
TYR B 147
ILE B 247
 None
 0.66A 5kmfA-1tu2B:
undetectable
5kmfC-1tu2B:
undetectable		 5kmfA-1tu2B:
20.74
5kmfC-1tu2B:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wek HYPOTHETICAL PROTEIN
TT1465

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 THR A  31
GLY A  28
GLU A  27
PHE A  29
ILE A  21
 None
 1.45A 5kmfA-1wekA:
undetectable
5kmfC-1wekA:
undetectable		 5kmfA-1wekA:
20.70
5kmfC-1wekA:
20.70
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.
1wf3 GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		4 THR A 188
GLY A 190
GLU A 191
ILE A 233
 None
None
GOL  A 602 ( 4.9A)
None
 0.95A 5kmfA-1wf3A:
undetectable
5kmfC-1wf3A:
undetectable		 5kmfA-1wf3A:
22.70
5kmfC-1wf3A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xuv HYPOTHETICAL PROTEIN
MM0500

(Methanosarcina
mazei) 		PF08327
(AHSA1) 		4 GLY A  52
PHE A  56
TYR A  73
ILE A  74
 None
 0.78A 5kmfA-1xuvA:
undetectable
5kmfC-1xuvA:
undetectable		 5kmfA-1xuvA:
21.88
5kmfC-1xuvA:
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.
1y3n ALGQ1

(Sphingomonas
sp. A1) 		PF01547
(SBP_bac_1) 		4 THR A 203
GLY A 204
GLU A 306
PHE A 421
 None
 0.94A 5kmfA-1y3nA:
2.8
5kmfC-1y3nA:
3.8		 5kmfA-1y3nA:
20.77
5kmfC-1y3nA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		4 THR A 106
GLY A 108
GLU A 109
PHE A 159
 None
 0.92A 5kmfA-1zkjA:
undetectable
5kmfC-1zkjA:
undetectable		 5kmfA-1zkjA:
22.31
5kmfC-1zkjA:
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 THR A 158
GLY A 153
GLU A 155
ILE A 187
 None
 0.73A 5kmfA-2bb0A:
undetectable
5kmfC-2bb0A:
undetectable		 5kmfA-2bb0A:
19.48
5kmfC-2bb0A:
19.48
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.
2chg REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA) 		4 GLY A  64
GLU A  65
PHE A  63
ILE A  56
 None
 0.92A 5kmfA-2chgA:
undetectable
5kmfC-2chgA:
undetectable		 5kmfA-2chgA:
18.15
5kmfC-2chgA:
18.15
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 THR A 152
GLU A 397
PHE A 395
ILE A 423
 None
 0.96A 5kmfA-2d1cA:
undetectable
5kmfC-2d1cA:
undetectable		 5kmfA-2d1cA:
20.52
5kmfC-2d1cA:
20.52
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 THR A  77
GLY A 476
GLU A 480
ILE A 444
 None
 0.90A 5kmfA-2f6dA:
undetectable
5kmfC-2f6dA:
undetectable		 5kmfA-2f6dA:
21.21
5kmfC-2f6dA:
21.21
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		4 THR A  47
GLY A  67
GLU A  44
ILE A  41
 None
 0.96A 5kmfA-2fcaA:
undetectable
5kmfC-2fcaA:
undetectable		 5kmfA-2fcaA:
21.80
5kmfC-2fcaA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwr DNA REPAIR PROTEIN
RAD25

(Archaeoglobus
fulgidus) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 THR A 392
GLY A 389
GLU A 388
PHE A 390
ILE A 374
 None
 1.29A 5kmfA-2fwrA:
undetectable
5kmfC-2fwrA:
undetectable		 5kmfA-2fwrA:
22.39
5kmfC-2fwrA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fzl DNA REPAIR PROTEIN
RAD25, XPB

(Archaeoglobus
fulgidus) 		PF16203
(ERCC3_RAD25_C) 		5 THR A 392
GLY A 389
GLU A 388
PHE A 390
ILE A 374
 None
 1.49A 5kmfA-2fzlA:
undetectable
5kmfC-2fzlA:
2.7		 5kmfA-2fzlA:
25.08
5kmfC-2fzlA:
25.08
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.
2gmi UBIQUITIN-CONJUGATIN
G ENZYME VARIANT
MMS2

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		5 THR B  90
GLY B  91
GLU B  92
PHE B  77
ILE B  62
 None
 1.44A 5kmfA-2gmiB:
undetectable
5kmfC-2gmiB:
undetectable		 5kmfA-2gmiB:
19.79
5kmfC-2gmiB:
19.79
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		4 THR A  77
GLY A 109
GLU A 112
PHE A 110
 None
 0.92A 5kmfA-2gmnA:
undetectable
5kmfC-2gmnA:
undetectable		 5kmfA-2gmnA:
23.51
5kmfC-2gmnA:
23.51
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.
2ido DNA POLYMERASE III
EPSILON SUBUNIT

(Escherichia
coli) 		PF00929
(RNase_T) 		4 GLY A  64
GLU A  61
PHE A  63
ILE A  31
 None
TMP  A2001 (-4.0A)
None
None
 0.96A 5kmfA-2idoA:
undetectable
5kmfC-2idoA:
undetectable		 5kmfA-2idoA:
19.59
5kmfC-2idoA:
19.59
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.
2jxm CYTOCHROME F

(Prochlorothrix
hollandica) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 GLY B  80
GLU B  79
TYR B 148
ILE B 243
 None
 0.96A 5kmfA-2jxmB:
undetectable
5kmfC-2jxmB:
undetectable		 5kmfA-2jxmB:
20.27
5kmfC-2jxmB:
20.27
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.
2m6k FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 GLY A 247
GLU A 248
TYR A 196
ILE A 194
 None
 0.92A 5kmfA-2m6kA:
undetectable
5kmfC-2m6kA:
undetectable		 5kmfA-2m6kA:
21.69
5kmfC-2m6kA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o4t BH3976 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		4 GLY A  58
GLU A  61
PHE A  59
ILE A  34
 None
 0.84A 5kmfA-2o4tA:
2.3
5kmfC-2o4tA:
undetectable		 5kmfA-2o4tA:
15.22
5kmfC-2o4tA:
15.22
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.
2o4t BH3976 PROTEIN

(Bacillus
halodurans) 		PF06304
(DUF1048) 		4 GLY A  58
GLU A  61
PHE A  59
TYR A  31
 None
 0.72A 5kmfA-2o4tA:
2.3
5kmfC-2o4tA:
undetectable		 5kmfA-2o4tA:
15.22
5kmfC-2o4tA:
15.22
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 THR B 407
GLY B 409
TYR B 436
ILE B 425
 None
 0.89A 5kmfA-2o8eB:
3.4
5kmfC-2o8eB:
3.4		 5kmfA-2o8eB:
14.69
5kmfC-2o8eB:
14.69
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana) 		PF12937
(F-box-like) 		4 GLY B 423
PHE B 424
TYR B 450
ILE B 451
 None
 0.95A 5kmfA-2p1nB:
undetectable
5kmfC-2p1nB:
undetectable		 5kmfA-2p1nB:
17.82
5kmfC-2p1nB:
17.82
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.
2wd5 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
1A

(Mus musculus) 		PF06470
(SMC_hinge) 		4 GLY A 553
GLU A 550
PHE A 570
ILE A 546
 None
 0.92A 5kmfA-2wd5A:
undetectable
5kmfC-2wd5A:
undetectable		 5kmfA-2wd5A:
19.74
5kmfC-2wd5A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 GLY A2589
GLU A2555
PHE A2614
ILE A2559
 None
 0.74A 5kmfA-2wjsA:
undetectable
5kmfC-2wjsA:
undetectable		 5kmfA-2wjsA:
17.02
5kmfC-2wjsA:
17.02
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 THR A  73
GLY A  70
PHE A  71
ILE A 101
 None
 0.95A 5kmfA-3axxA:
undetectable
5kmfC-3axxA:
undetectable		 5kmfA-3axxA:
20.99
5kmfC-3axxA:
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.
3bm7 PROTEIN OF UNKNOWN
FUNCTION WITH
FERREDOXIN-LIKE FOLD

(Caulobacter
vibrioides) 		PF03992
(ABM) 		4 THR A  69
GLY A  67
TYR A  57
ILE A   2
 None
 0.94A 5kmfA-3bm7A:
2.1
5kmfC-3bm7A:
2.0		 5kmfA-3bm7A:
14.96
5kmfC-3bm7A:
14.96
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.
3bvq NOTI RESTRICTION
ENDONUCLEASE

(Nocardia
otitidiscaviarum) 		PF12183
(NotI) 		4 GLY A 228
GLU A 227
TYR A 192
ILE A  15
 None
 0.92A 5kmfA-3bvqA:
undetectable
5kmfC-3bvqA:
undetectable		 5kmfA-3bvqA:
19.69
5kmfC-3bvqA:
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.
3ced METHIONINE IMPORT
ATP-BINDING PROTEIN
METN 2

(Staphylococcus
aureus) 		PF09383
(NIL) 		4 GLY A 322
PHE A 321
TYR A 287
ILE A 289
 None
 0.91A 5kmfA-3cedA:
undetectable
5kmfC-3cedA:
undetectable		 5kmfA-3cedA:
15.09
5kmfC-3cedA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLU A 427
PHE A 429
TYR A 462
ILE A 465
 None
 0.85A 5kmfA-3ciaA:
1.9
5kmfC-3ciaA:
undetectable		 5kmfA-3ciaA:
18.78
5kmfC-3ciaA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fru BETA-2-MICROGLOBULIN
NEONATAL FC RECEPTOR

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 THR A 228
GLY A 229
TYR B  63
ILE B  64
 None
 0.79A 5kmfA-3fruA:
undetectable
5kmfC-3fruA:
undetectable		 5kmfA-3fruA:
19.93
5kmfC-3fruA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		4 THR A 345
GLY A 344
GLU A 391
ILE A 418
 None
 0.96A 5kmfA-3k50A:
undetectable
5kmfC-3k50A:
undetectable		 5kmfA-3k50A:
22.28
5kmfC-3k50A:
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A 253
GLY A 254
PHE A 255
ILE A  72
 None
 0.88A 5kmfA-3mmpA:
undetectable
5kmfC-3mmpA:
2.4		 5kmfA-3mmpA:
18.24
5kmfC-3mmpA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		4 THR A 100
GLY A  99
GLU A 133
ILE A 184
 OAE  A 376 ( 3.9A)
None
OAE  A 376 (-2.6A)
None
 0.95A 5kmfA-3nfbA:
undetectable
5kmfC-3nfbA:
undetectable		 5kmfA-3nfbA:
22.51
5kmfC-3nfbA:
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.
3oag RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 THR A  32
GLY A  25
GLU A  23
ILE A 102
 None
 0.86A 5kmfA-3oagA:
undetectable
5kmfC-3oagA:
undetectable		 5kmfA-3oagA:
21.68
5kmfC-3oagA:
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.
3out GLUTAMATE RACEMASE

(Francisella
tularensis) 		PF01177
(Asp_Glu_race) 		4 GLY A 246
GLU A 247
PHE A 249
TYR A  34
 None
 0.95A 5kmfA-3outA:
undetectable
5kmfC-3outA:
undetectable		 5kmfA-3outA:
23.00
5kmfC-3outA:
23.00
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.
3p4e PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Vibrio cholerae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 THR A 217
GLY A 219
GLU A 220
ILE A  84
 None
 0.81A 5kmfA-3p4eA:
undetectable
5kmfC-3p4eA:
undetectable		 5kmfA-3p4eA:
22.97
5kmfC-3p4eA:
22.97
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.
3tgv HEME-BINDING PROTEIN
HUTZ

(Vibrio cholerae) 		PF01243
(Putative_PNPOx) 		4 GLY A 121
GLU A 122
PHE A 120
ILE A 113
 None
 0.92A 5kmfA-3tgvA:
undetectable
5kmfC-3tgvA:
undetectable		 5kmfA-3tgvA:
18.56
5kmfC-3tgvA:
18.56
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 GLY A 642
GLU A 643
PHE A 641
ILE A 610
 None
 0.78A 5kmfA-3tlmA:
3.6
5kmfC-3tlmA:
0.5		 5kmfA-3tlmA:
14.29
5kmfC-3tlmA:
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.
3vaa SHIKIMATE KINASE

(Bacteroides
thetaiotaomicron) 		PF01202
(SKI) 		4 THR A  43
GLY A  45
GLU A  46
PHE A  48
 None
 0.69A 5kmfA-3vaaA:
undetectable
5kmfC-3vaaA:
undetectable		 5kmfA-3vaaA:
21.99
5kmfC-3vaaA:
21.99
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 THR A  50
GLY A 105
TYR A 265
ILE A 253
 None
 0.90A 5kmfA-3vv3A:
undetectable
5kmfC-3vv3A:
undetectable		 5kmfA-3vv3A:
18.59
5kmfC-3vv3A:
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.
3vw5 CELLOBIOSE
2-EPIMERASE

(Ruminococcus
albus) 		PF07221
(GlcNAc_2-epim) 		4 GLY A 346
GLU A 345
PHE A  17
ILE A 341
 None
 0.89A 5kmfA-3vw5A:
undetectable
5kmfC-3vw5A:
undetectable		 5kmfA-3vw5A:
20.88
5kmfC-3vw5A:
20.88
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.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A 290
GLU A 274
PHE A 291
TYR A 229
 None
 0.91A 5kmfA-3wyaA:
undetectable
5kmfC-3wyaA:
undetectable		 5kmfA-3wyaA:
20.54
5kmfC-3wyaA:
20.54
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.
3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 THR A 243
GLY A 267
GLU A 270
ILE A 127
 SF4  A 285 (-4.3A)
SF4  A 285 ( 4.6A)
None
None
 0.88A 5kmfA-3ze6A:
undetectable
5kmfC-3ze6A:
undetectable		 5kmfA-3ze6A:
20.38
5kmfC-3ze6A:
20.38
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.
3zy3 PUTATIVE GDP-FUCOSE
PROTEIN
O-FUCOSYLTRANSFERASE
1

(Caenorhabditis
elegans) 		PF10250
(O-FucT) 		4 THR A 356
GLY A  42
PHE A  41
ILE A  68
 GDP  A1384 (-2.9A)
GDP  A1384 (-3.1A)
None
None
 0.95A 5kmfA-3zy3A:
undetectable
5kmfC-3zy3A:
undetectable		 5kmfA-3zy3A:
20.77
5kmfC-3zy3A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		4 THR A  73
GLY A  70
TYR A 108
ILE A 105
 None
 0.82A 5kmfA-4at0A:
undetectable
5kmfC-4at0A:
undetectable		 5kmfA-4at0A:
18.20
5kmfC-4at0A:
18.20
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 GLY A 258
GLU A 259
PHE A 257
TYR A 233
 None
 0.87A 5kmfA-4bbwA:
undetectable
5kmfC-4bbwA:
undetectable		 5kmfA-4bbwA:
19.89
5kmfC-4bbwA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cc9 PROTEIN VPX

(Simian
immunodeficiency
virus) 		PF00522
(VPR) 		4 THR B  17
GLY B  19
GLU B  20
PHE B  22
 None
 0.70A 5kmfA-4cc9B:
2.8
5kmfC-4cc9B:
4.1		 5kmfA-4cc9B:
17.60
5kmfC-4cc9B:
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.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 GLY A 304
GLU A 308
PHE A 299
ILE A 213
 None
 0.83A 5kmfA-4cvqA:
undetectable
5kmfC-4cvqA:
undetectable		 5kmfA-4cvqA:
20.09
5kmfC-4cvqA:
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 THR A 254
GLY A 255
PHE A 256
ILE A  73
 None
 0.88A 5kmfA-4fwtA:
undetectable
5kmfC-4fwtA:
undetectable		 5kmfA-4fwtA:
12.17
5kmfC-4fwtA:
12.17
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.
4hu0 CELLULASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 THR A 164
GLY A 166
GLU A 167
PHE A 169
 None
 0.92A 5kmfA-4hu0A:
undetectable
5kmfC-4hu0A:
undetectable		 5kmfA-4hu0A:
21.24
5kmfC-4hu0A:
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.
4i7z APOCYTOCHROME F

(Mastigocladus
laminosus) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		4 GLY C  81
GLU C  80
TYR C 147
ILE C 247
 None
 0.94A 5kmfA-4i7zC:
undetectable
5kmfC-4i7zC:
undetectable		 5kmfA-4i7zC:
21.05
5kmfC-4i7zC:
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.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 THR S 242
GLY S 266
GLU S 269
ILE S 132
 SF4  S 302 (-4.4A)
SF4  S 302 ( 4.5A)
None
None
 0.89A 5kmfA-4ko2S:
undetectable
5kmfC-4ko2S:
undetectable		 5kmfA-4ko2S:
22.36
5kmfC-4ko2S:
22.36
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		4 GLY A 461
GLU A 460
PHE A 458
TYR A 455
 None
 0.93A 5kmfA-4lu6A:
undetectable
5kmfC-4lu6A:
undetectable		 5kmfA-4lu6A:
20.18
5kmfC-4lu6A:
20.18
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.
4mt5 MUCUS BINDING
PROTEINN

(Lactobacillus
reuteri) 		no annotation 4 THR A  64
GLU A  66
PHE A  52
ILE A  37
 None
 0.93A 5kmfA-4mt5A:
undetectable
5kmfC-4mt5A:
undetectable		 5kmfA-4mt5A:
20.21
5kmfC-4mt5A:
20.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mvu ION TRANSPORT
PROTEIN

(Arcobacter
butzleri) 		PF00520
(Ion_trans) 		4 THR A1162
GLY A1164
GLU A1165
PHE A1167
 PX4  A1303 (-3.8A)
PX4  A1303 (-3.3A)
PX4  A1303 ( 4.5A)
None
 0.25A 5kmfA-4mvuA:
24.2
5kmfC-4mvuA:
24.8		 5kmfA-4mvuA:
98.31
5kmfC-4mvuA:
98.31
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.
4owr MRNA EXPORT FACTOR

(Homo sapiens) 		PF00400
(WD40) 		4 THR A 229
GLY A 230
PHE A 231
ILE A 279
 None
 0.80A 5kmfA-4owrA:
undetectable
5kmfC-4owrA:
undetectable		 5kmfA-4owrA:
21.65
5kmfC-4owrA:
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.
4py9 PUTATIVE
EXOPOLYPHOSPHATASE-R
ELATED PROTEIN

(Bacteroides
fragilis) 		PF01368
(DHH) 		4 THR A 182
GLY A 180
TYR A 208
ILE A 207
 None
 0.87A 5kmfA-4py9A:
undetectable
5kmfC-4py9A:
undetectable		 5kmfA-4py9A:
22.25
5kmfC-4py9A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 4 GLY A 199
GLU A 200
PHE A 202
ILE A  87
 SAM  A 301 (-3.6A)
None
SAM  A 301 (-3.8A)
None
 0.74A 5kmfA-4r29A:
undetectable
5kmfC-4r29A:
2.0		 5kmfA-4r29A:
22.15
5kmfC-4r29A:
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 THR B 720
GLY B 653
PHE B 652
ILE A 462
 CLA  B9010 (-3.5A)
None
BCR  A6017 ( 4.5A)
CLA  A1132 ( 4.1A)
 0.94A 5kmfA-4rkuB:
undetectable
5kmfC-4rkuB:
2.9		 5kmfA-4rkuB:
17.30
5kmfC-4rkuB:
17.30
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.
4w8c PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Alkaliphilus
oremlandii) 		PF01625
(PMSR) 		4 THR A  67
GLY A  69
GLU A  70
ILE A 112
 None
 0.71A 5kmfA-4w8cA:
undetectable
5kmfC-4w8cA:
undetectable		 5kmfA-4w8cA:
19.03
5kmfC-4w8cA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7x MDBA

(Actinomyces
oris) 		PF13462
(Thioredoxin_4) 		4 THR A 150
GLY A 147
GLU A 146
ILE A 210
 None
 0.59A 5kmfA-4z7xA:
undetectable
5kmfC-4z7xA:
undetectable		 5kmfA-4z7xA:
19.94
5kmfC-4z7xA:
19.94
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 GLY B 981
GLU B 980
TYR B 930
ILE B 931
 None
 0.95A 5kmfA-4zktB:
3.5
5kmfC-4zktB:
4.3		 5kmfA-4zktB:
13.17
5kmfC-4zktB:
13.17
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 GLY A  86
GLU A  87
PHE A  89
ILE A 110
 None
 0.85A 5kmfA-4zxzA:
undetectable
5kmfC-4zxzA:
undetectable		 5kmfA-4zxzA:
17.92
5kmfC-4zxzA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c1e PECTINESTERASE

(Aspergillus
niger) 		PF01095
(Pectinesterase) 		4 GLY A 200
GLU A 201
PHE A 199
ILE A 233
 SO4  A 402 (-3.4A)
SO4  A 402 ( 4.9A)
None
None
 0.88A 5kmfA-5c1eA:
undetectable
5kmfC-5c1eA:
undetectable		 5kmfA-5c1eA:
21.77
5kmfC-5c1eA:
21.77
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 4 THR A 255
GLY A 256
GLU A 258
ILE A 232
 None
 0.93A 5kmfA-5czcA:
undetectable
5kmfC-5czcA:
undetectable		 5kmfA-5czcA:
21.71
5kmfC-5czcA:
21.71
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.
5dwa TYPE-2 RESTRICTION
ENZYME AGEI

(Thalassobius
gelatinovorus) 		no annotation 4 GLY A  48
PHE A  51
TYR A  31
ILE A  28
 None
 0.95A 5kmfA-5dwaA:
undetectable
5kmfC-5dwaA:
undetectable		 5kmfA-5dwaA:
22.29
5kmfC-5dwaA:
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.
5efx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 2

(Homo sapiens) 		PF00169
(PH) 		4 GLY A 464
GLU A 467
TYR A 446
ILE A 445
 None
 0.95A 5kmfA-5efxA:
undetectable
5kmfC-5efxA:
undetectable		 5kmfA-5efxA:
17.20
5kmfC-5efxA:
17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA

(Arcobacter
butzleri;
Homo sapiens) 		PF00520
(Ion_trans) 		4 THR A1665
GLY A1667
GLU A1668
PHE A1670
 PX4  A1802 (-4.2A)
PX4  A1802 (-3.3A)
PX4  A1802 (-3.5A)
PX4  A1802 (-4.4A)
 0.87A 5kmfA-5ek0A:
19.4
5kmfC-5ek0A:
19.7		 5kmfA-5ek0A:
81.40
5kmfC-5ek0A:
81.40
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		4 THR A 257
GLY A 124
PHE A 125
ILE A 103
 None
 0.77A 5kmfA-5ex2A:
undetectable
5kmfC-5ex2A:
undetectable		 5kmfA-5ex2A:
19.08
5kmfC-5ex2A:
19.08
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.
5igu MACROLIDE
2'-PHOSPHOTRANSFERAS
E II

(Escherichia
coli) 		PF01636
(APH) 		5 GLY A 243
GLU A 245
PHE A 239
TYR A 236
ILE A 233
 None
 1.40A 5kmfA-5iguA:
undetectable
5kmfC-5iguA:
undetectable		 5kmfA-5iguA:
21.88
5kmfC-5iguA:
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.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 THR A 183
GLY A 180
PHE A 181
ILE A 174
 None
 0.83A 5kmfA-5je8A:
1.5
5kmfC-5je8A:
undetectable		 5kmfA-5je8A:
23.40
5kmfC-5je8A:
23.40
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.
5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT

(Desulfovibrio
vulgaris) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 THR A 243
GLY A 267
GLU A 270
ILE A 127
 SF4  A 302 (-4.3A)
SF4  A 302 ( 4.6A)
None
None
 0.89A 5kmfA-5jsyA:
undetectable
5kmfC-5jsyA:
undetectable		 5kmfA-5jsyA:
19.82
5kmfC-5jsyA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzh DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Chlamydomonas
reinhardtii) 		PF00400
(WD40) 		4 GLY A 401
GLU A 400
PHE A 397
ILE A 405
 None
 0.94A 5kmfA-5mzhA:
undetectable
5kmfC-5mzhA:
undetectable		 5kmfA-5mzhA:
19.25
5kmfC-5mzhA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzh DYNEIN ASSEMBLY
FACTOR WITH WDR
REPEAT DOMAINS 1

(Chlamydomonas
reinhardtii) 		PF00400
(WD40) 		4 GLY A 401
GLU A 400
PHE A 397
ILE A 415
 None
 0.90A 5kmfA-5mzhA:
undetectable
5kmfC-5mzhA:
undetectable		 5kmfA-5mzhA:
19.25
5kmfC-5mzhA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 THR A  66
GLY A  65
GLU A  63
ILE A 145
 None
SAM  A 306 (-3.2A)
SAM  A 306 ( 3.6A)
None
 0.96A 5kmfA-5n5dA:
undetectable
5kmfC-5n5dA:
undetectable		 5kmfA-5n5dA:
20.21
5kmfC-5n5dA:
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A 569
GLY A 571
GLU A 572
ILE A 560
 None
 0.84A 5kmfA-5u25A:
2.3
5kmfC-5u25A:
2.4		 5kmfA-5u25A:
18.59
5kmfC-5u25A:
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.
5vfd BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		4 THR A 120
GLY A 122
GLU A 123
ILE A 207
 None
 0.57A 5kmfA-5vfdA:
undetectable
5kmfC-5vfdA:
undetectable		 5kmfA-5vfdA:
21.21
5kmfC-5vfdA:
21.21
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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 THR A 390
GLY A 362
GLU A 366
TYR A 323
ILE A 334
 None
 1.34A 5kmfA-5vl1A:
undetectable
5kmfC-5vl1A:
undetectable		 5kmfA-5vl1A:
18.58
5kmfC-5vl1A:
18.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5yua ION TRANSPORT
PROTEIN

(Arcobacter
butzleri) 		no annotation 4 THR A1162
GLY A1164
GLU A1165
PHE A1167
 None
 0.13A 5kmfA-5yuaA:
23.6
5kmfC-5yuaA:
24.0		 5kmfA-5yuaA:
94.12
5kmfC-5yuaA:
94.12
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.
6aqh LYSINE--TRNA LIGASE

(Mycolicibacterium
thermoresistibile) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 THR A 394
GLY A 366
GLU A 370
TYR A 326
ILE A 337
 None
 1.29A 5kmfA-6aqhA:
undetectable
5kmfC-6aqhA:
undetectable		 5kmfA-6aqhA:
20.08
5kmfC-6aqhA:
20.08
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 4 THR A 267
GLY A 264
TYR A 157
ILE A 158
 None
 0.93A 5kmfA-6cu5A:
undetectable
5kmfC-6cu5A:
undetectable		 5kmfA-6cu5A:
16.92
5kmfC-6cu5A:
16.92
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 GLY A 371
GLU A 370
TYR A 432
ILE A 427
 None
 0.89A 5kmfA-6eomA:
undetectable
5kmfC-6eomA:
3.1		 5kmfA-6eomA:
16.67
5kmfC-6eomA:
16.67
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 4 GLY A 382
GLU A 115
PHE A 385
ILE A 107
 None
ARG  A 501 (-2.8A)
None
None
 0.92A 5kmfA-6f34A:
undetectable
5kmfC-6f34A:
1.6		 5kmfA-6f34A:
12.11
5kmfC-6f34A:
12.11
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 4 THR A 155
GLY A 226
GLU A 202
ILE A 217
 FAD  A 601 (-2.8A)
FAD  A 601 (-3.2A)
None
None
 0.86A 5kmfA-6f72A:
undetectable
5kmfC-6f72A:
2.2		 5kmfA-6f72A:
14.86
5kmfC-6f72A:
14.86