SIMILAR PATTERNS OF AMINO ACIDS FOR 2VQY_A_PARA1201_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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A 145
TYR A 275
VAL A 283
TYR A 218
SER A 222
 None
 1.35A 2vqyA-1a27A:
undetectable		 2vqyA-1a27A:
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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		5 GLY A 266
TYR A 302
LEU A 286
TYR A 327
SER A 179
 COA  A 380 (-3.5A)
None
None
None
None
 1.35A 2vqyA-1a59A:
0.0		 2vqyA-1a59A:
20.10
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.
1b43 PROTEIN (FEN-1)

(Pyrococcus
furiosus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 GLY A 239
GLU A 114
GLN A 121
ASP A 235
ASP A 174
 None
 1.44A 2vqyA-1b43A:
0.0		 2vqyA-1b43A:
22.02
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 GLY A  97
TYR A 208
LEU A 170
VAL A 167
SER A 119
 None
 1.50A 2vqyA-1dj2A:
0.0		 2vqyA-1dj2A:
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 GLY A 114
GLU A 278
VAL A 291
ASP A 146
ASP A 119
 NAD  A 400 (-3.0A)
NAD  A 400 ( 4.8A)
None
CRB  A 401 ( 2.9A)
NAD  A 400 (-3.1A)
 1.17A 2vqyA-1dqsA:
undetectable		 2vqyA-1dqsA:
19.80
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.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 GLY A 442
TYR A 196
LEU A 199
VAL A 280
SER A 282
 None
 1.35A 2vqyA-1e6zA:
0.0		 2vqyA-1e6zA:
18.50
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.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		5 GLY A 136
TYR A 155
LEU A 152
GLU A 146
VAL A 145
 SO4  A 301 (-3.8A)
None
None
None
None
 1.20A 2vqyA-1g2pA:
0.0		 2vqyA-1g2pA:
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 GLY S 212
TYR S 154
VAL S 197
SER S 199
ASP S 139
 None
 1.46A 2vqyA-1i84S:
undetectable		 2vqyA-1i84S:
9.01
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 GLY A 999
TYR A1051
LEU A1006
GLU A1004
VAL A1005
 None
 1.42A 2vqyA-1jx2A:
0.0		 2vqyA-1jx2A:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 GLY A 290
VAL A  55
SER A  63
ASP A 358
ASP A 261
 None
None
None
IMP  A 801 (-2.5A)
TAD  A 901 (-2.3A)
 1.42A 2vqyA-1lrtA:
0.1		 2vqyA-1lrtA:
18.23
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.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		5 GLY A 177
TYR A  76
LEU A 200
VAL A 197
SER A  89
 None
 1.29A 2vqyA-1r3fA:
undetectable		 2vqyA-1r3fA:
22.78
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		5 GLY A 382
TYR A  48
VAL A  44
ASP A 415
ASP A 413
 None
 1.45A 2vqyA-1uz4A:
0.0		 2vqyA-1uz4A:
18.02
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.
1vb4 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 GLY A 142
TYR A 145
LEU A 200
VAL A 197
SER A 122
 None
 1.37A 2vqyA-1vb4A:
undetectable		 2vqyA-1vb4A:
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		5 GLY A  99
GLU A 249
VAL A 260
ASP A 130
ASP A 104
 NAD  A 400 (-3.5A)
NAD  A 400 ( 4.8A)
None
CRB  A 500 ( 3.2A)
NAD  A 400 (-2.9A)
 1.25A 2vqyA-1xajA:
undetectable		 2vqyA-1xajA:
21.61
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.
2g37 PROLINE
DEHYDROGENASE/DELTA-
1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		5 TYR A 255
LEU A  51
GLU A  54
VAL A  56
GLN A 262
 None
 1.32A 2vqyA-2g37A:
undetectable		 2vqyA-2g37A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
no annotation 		5 GLY I 250
LEU I 127
VAL I  96
TYR A  48
SER A  52
 None
 1.08A 2vqyA-2gk1I:
undetectable		 2vqyA-2gk1I:
20.15
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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		5 GLY X 222
LEU X  22
ASP X   6
ASP X 109
ASP X 129
 None
None
EDO  X 501 (-3.6A)
None
None
 1.34A 2vqyA-2h3gX:
undetectable		 2vqyA-2h3gX:
21.38
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 LEU A 117
GLU A 114
GLN A 146
SER A 110
ASP A 142
 None
 1.46A 2vqyA-2jg5A:
undetectable		 2vqyA-2jg5A:
22.33
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.
2prv UNCHARACTERIZED
PROTEIN YOBK

(Bacillus
subtilis) 		PF14567
(SUKH_5) 		5 GLY A  53
TYR A  43
LEU A 100
VAL A 112
TYR A  98
 None
 1.50A 2vqyA-2prvA:
undetectable		 2vqyA-2prvA:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qir AMINOGLYCOSIDE
6-N-ACETYLTRANSFERAS
E TYPE IB11

(Salmonella
enterica) 		PF13523
(Acetyltransf_8) 		8 TYR A  55
LEU A  60
GLU A  63
VAL A  65
GLN A  81
TYR A  83
SER A  88
ASP A 105
 None
None
9CS  A 501 (-4.6A)
None
9CS  A 501 (-4.0A)
9CS  A 501 (-3.4A)
9CS  A 501 (-3.0A)
9CS  A 501 (-2.9A)
 0.79A 2vqyA-2qirA:
32.8		 2vqyA-2qirA:
90.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qir AMINOGLYCOSIDE
6-N-ACETYLTRANSFERAS
E TYPE IB11

(Salmonella
enterica) 		PF13523
(Acetyltransf_8) 		10 TYR A  55
LEU A  60
VAL A  65
GLN A  81
TYR A  83
SER A  88
TRP A  92
ASP A 105
ASP A 142
ASP A 169
 None
None
None
9CS  A 501 (-4.0A)
9CS  A 501 (-3.4A)
9CS  A 501 (-3.0A)
9CS  A 501 (-4.1A)
9CS  A 501 (-2.9A)
9CS  A 501 (-2.5A)
None
 0.38A 2vqyA-2qirA:
32.8		 2vqyA-2qirA:
90.29
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 151
LEU A 165
VAL A  72
TRP A 159
ASP A  50
 None
 0.85A 2vqyA-2qyvA:
undetectable		 2vqyA-2qyvA:
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 154
LEU A 165
VAL A  72
TRP A 159
ASP A  50
 None
 1.22A 2vqyA-2qyvA:
undetectable		 2vqyA-2qyvA:
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.
2vq0 COAT PROTEIN

(Sesbania mosaic
virus) 		PF00729
(Viral_coat) 		5 GLY A 142
TYR A 145
LEU A 200
VAL A 197
SER A 122
 None
 1.39A 2vqyA-2vq0A:
undetectable		 2vqyA-2vq0A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		5 GLY A 106
TYR A 142
LEU A 116
VAL A  45
ASP A 109
 None
 1.44A 2vqyA-2ybxA:
undetectable		 2vqyA-2ybxA:
19.34
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 GLY A 191
TYR A 307
LEU A 301
VAL A 297
ASP A 313
 None
 1.38A 2vqyA-3b9eA:
undetectable		 2vqyA-3b9eA:
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.
3drk OLIGOPEPTIDE-BINDING
PROTEIN OPPA

(Lactococcus
lactis) 		PF00496
(SBP_bac_5) 		5 GLY A 245
LEU A 102
GLU A 113
VAL A 114
SER A 112
 None
 1.34A 2vqyA-3drkA:
undetectable		 2vqyA-3drkA:
17.45
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 GLY A 110
LEU A  88
VAL A 223
TYR A 232
SER A 225
 None
 1.25A 2vqyA-3g87A:
undetectable		 2vqyA-3g87A:
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.
3gs9 PROTEIN GP18

(Listeria
monocytogenes) 		PF06605
(Prophage_tail) 		5 GLY A 106
LEU A 152
GLN A 155
ASP A 159
ASP A 246
 None
 1.42A 2vqyA-3gs9A:
undetectable		 2vqyA-3gs9A:
19.60
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 225
TYR A  56
LEU A  52
GLN A 147
TYR A 143
 EDO  A 608 (-3.4A)
EDO  A 609 (-4.0A)
None
None
None
 1.05A 2vqyA-3hdxA:
undetectable		 2vqyA-3hdxA:
19.06
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.
3hrx PROBABLE ENOYL-COA
HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 GLY A  52
LEU A  87
VAL A  83
TYR A  80
SER A 137
 None
 1.46A 2vqyA-3hrxA:
undetectable		 2vqyA-3hrxA:
23.79
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A  54
LEU A  58
SER A 124
ASP A  41
ASP A 153
 MPD  A 505 (-4.6A)
None
None
None
ZN  A 502 (-2.6A)
 1.29A 2vqyA-3jv7A:
undetectable		 2vqyA-3jv7A:
20.60
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.
3kvd LIPOPROTEIN

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 GLY D 229
LEU D 289
VAL D 299
SER D 169
ASP D 136
 None
 1.32A 2vqyA-3kvdD:
undetectable		 2vqyA-3kvdD:
22.44
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		5 GLY A  56
TYR A 218
LEU A 214
GLU A 213
TYR A 366
 None
 1.47A 2vqyA-3nsjA:
undetectable		 2vqyA-3nsjA:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujp MN TRANSPORTER
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		5 GLY A 136
TYR A 165
LEU A  64
TYR A 109
SER A 130
 None
 1.42A 2vqyA-3ujpA:
undetectable		 2vqyA-3ujpA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w95 GENOME POLYPROTEIN

(Enterovirus A) 		PF00947
(Pico_P2A) 		5 GLY A 111
VAL A  84
GLN A  95
SER A  87
ASP A  39
 None
 1.34A 2vqyA-3w95A:
undetectable		 2vqyA-3w95A:
24.76
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.
3zkx XA4815

(Lama glama) 		PF07686
(V-set) 		5 GLY C 185
TYR C 257
LEU C 238
GLU C 165
SER C 166
 None
 1.43A 2vqyA-3zkxC:
undetectable		 2vqyA-3zkxC:
17.96
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.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 GLY A 118
GLU A 268
VAL A 282
ASP A 150
ASP A 123
 NAD  A1381 (-3.3A)
None
None
NAD  A1381 ( 3.2A)
NAD  A1381 (-3.0A)
 1.12A 2vqyA-3zokA:
undetectable		 2vqyA-3zokA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C

(Homo sapiens) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 GLU A 271
VAL A 270
GLN A 246
TRP A 249
ASP A 222
 None
 1.48A 2vqyA-3zyjA:
undetectable		 2vqyA-3zyjA:
19.81
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 GLY A 153
TYR A 287
LEU A 254
GLU A 115
GLN A 292
 None
 1.35A 2vqyA-4be3A:
undetectable		 2vqyA-4be3A:
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		5 GLY A  99
TYR A  38
LEU A 160
ASP A 164
ASP A  15
 EDO  A1283 ( 3.8A)
None
None
TRS  A1281 ( 3.0A)
EDO  A1283 ( 2.8A)
 1.47A 2vqyA-4bluA:
1.1		 2vqyA-4bluA:
22.87
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.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		5 GLY A  53
GLU A  18
TYR A  42
ASP A  57
ASP A  89
 None
None
None
EDO  A 201 (-3.0A)
EDO  A 201 (-3.1A)
 1.31A 2vqyA-4ecpA:
undetectable		 2vqyA-4ecpA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fiu HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 318
TYR A  12
LEU A 330
ASP A 437
ASP A 433
 None
 1.40A 2vqyA-4fiuA:
undetectable		 2vqyA-4fiuA:
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 GLY A 514
SER A 493
ASP A 509
ASP A 746
ASP A 459
 None
None
ZN  A1003 (-2.2A)
ZN  A1003 (-2.4A)
None
 1.24A 2vqyA-4g9iA:
undetectable		 2vqyA-4g9iA:
14.72
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		5 GLY A 318
LEU A 222
VAL A 267
SER A 269
ASP A 383
 None
None
None
None
ZN  A 501 (-2.2A)
 1.42A 2vqyA-4icqA:
undetectable		 2vqyA-4icqA:
20.34
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 326
VAL A  52
TYR A  56
SER A  24
ASP A 194
 None
4OP  A 416 ( 4.7A)
4OP  A 416 (-4.4A)
None
MG  A 414 ( 2.6A)
 1.47A 2vqyA-4izgA:
undetectable		 2vqyA-4izgA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 326
VAL A  52
TYR A  56
SER A  24
ASP A 242
 None
4OP  A 416 ( 4.7A)
4OP  A 416 (-4.4A)
None
MG  A 414 ( 3.1A)
 1.29A 2vqyA-4izgA:
undetectable		 2vqyA-4izgA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 324
LEU A 440
VAL A 438
TYR A 421
ASP A 232
 None
 1.45A 2vqyA-4kc8A:
undetectable		 2vqyA-4kc8A:
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 315
LEU A 369
VAL A 349
TYR A 324
SER A 347
 None
 1.24A 2vqyA-4om9A:
undetectable		 2vqyA-4om9A:
11.12
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.
4ovj EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Alicyclobacillus
acidocaldarius) 		PF13416
(SBP_bac_8) 		5 TYR A 243
LEU A 247
VAL A 253
SER A 277
ASP A 205
 None
 1.31A 2vqyA-4ovjA:
undetectable		 2vqyA-4ovjA:
22.33
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.
4qc6 BIFUNCTIONAL AAC/APH

(Staphylococcus
warneri) 		PF13523
(Acetyltransf_8) 		6 GLY A  35
TYR A  50
GLN A  74
TYR A  76
ASP A  99
ASP A 136
 FMT  A 203 ( 3.5A)
KAN  A 201 ( 3.9A)
KAN  A 201 (-3.1A)
None
KAN  A 201 ( 3.9A)
KAN  A 201 (-3.8A)
 0.87A 2vqyA-4qc6A:
20.1		 2vqyA-4qc6A:
28.06
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 GLY A 176
LEU A  76
GLN A 151
SER A 309
ASP A  60
 None
17E  A 501 (-4.9A)
17E  A 501 (-2.9A)
17E  A 501 (-3.2A)
None
 1.28A 2vqyA-4r85A:
0.2		 2vqyA-4r85A:
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 GLY A 177
LEU A  76
GLN A 151
SER A 309
ASP A  60
 None
17E  A 501 (-4.9A)
17E  A 501 (-2.9A)
17E  A 501 (-3.2A)
None
 1.43A 2vqyA-4r85A:
0.2		 2vqyA-4r85A:
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster) 		PF07034
(ORC3_N)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		5 GLY E  46
LEU E 249
TYR E 291
SER C 259
ASP E 243
 CL  E 501 (-3.9A)
None
None
None
None
 1.29A 2vqyA-4xgcE:
undetectable		 2vqyA-4xgcE:
19.77
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 GLY A 257
LEU A  57
GLU A 321
ASP A 329
ASP A 259
 None
None
None
None
CA  A1004 (-3.3A)
 1.41A 2vqyA-4yu5A:
undetectable		 2vqyA-4yu5A:
13.53
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.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		5 GLY A 104
GLU A 254
VAL A 268
ASP A 136
ASP A 109
 NAD  A 401 (-3.4A)
None
None
NAD  A 401 (-3.6A)
NAD  A 401 (-3.3A)
 1.22A 2vqyA-5hvnA:
undetectable		 2vqyA-5hvnA:
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.
5j49 UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Paraburkholderia
xenovorans) 		PF00483
(NTP_transferase) 		5 GLY A 203
TYR A 208
LEU A 111
ASP A 134
ASP A 255
 None
 1.43A 2vqyA-5j49A:
undetectable		 2vqyA-5j49A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m42 PROLINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		5 TYR A 255
LEU A  51
GLU A  54
VAL A  56
GLN A 262
 None
 1.31A 2vqyA-5m42A:
undetectable		 2vqyA-5m42A:
23.21
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE

(Trichormus
variabilis) 		PF01761
(DHQ_synthase) 		5 GLY A 118
GLU A 278
VAL A 291
ASP A 150
ASP A 123
 NAD  A 503 ( 3.2A)
NAD  A 503 ( 4.7A)
None
NAD  A 503 ( 2.3A)
NAD  A 503 (-2.1A)
 1.16A 2vqyA-5tprA:
undetectable		 2vqyA-5tprA:
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.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		5 GLY A 102
TYR A 116
ASP A  98
ASP A  71
ASP A  73
 None
None
TLA  A 401 (-3.3A)
TLA  A 401 (-3.1A)
None
 1.38A 2vqyA-5uncA:
undetectable		 2vqyA-5uncA:
20.41
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  94
LEU A  24
VAL A  47
TYR A  81
ASP A  89
 None
 1.35A 2vqyA-5wy0A:
2.2		 2vqyA-5wy0A:
18.23
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.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 5 TYR A  49
GLN A  73
TYR A  75
ASP A  98
ASP A 135
 None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
 0.81A 2vqyA-6bffA:
21.2		 2vqyA-6bffA:
24.75