SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP6_B_SALB3001_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.
1aei ANNEXIN XII

(Hydra vulgaris) 		PF00191
(Annexin) 		4 GLU A 163
ASN A 166
HIS A 169
ILE A 207
 None
 1.16A 3kp6A-1aeiA:
0.0
3kp6B-1aeiA:
0.0		 3kp6A-1aeiA:
22.51
3kp6B-1aeiA:
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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLU A 150
ASN A 148
ASN A  47
MET A  48
 None
 1.31A 3kp6A-1d6sA:
0.0
3kp6B-1d6sA:
0.0		 3kp6A-1d6sA:
19.88
3kp6B-1d6sA:
19.88
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		4 ASN A 172
HIS A 170
ASN A 426
ILE A 401
 None
 1.09A 3kp6A-1ddzA:
0.0
3kp6B-1ddzA:
0.0		 3kp6A-1ddzA:
16.12
3kp6B-1ddzA:
16.12
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		4 ASN A 426
HIS A 424
ASN A 172
ILE A 147
 None
 1.10A 3kp6A-1ddzA:
0.0
3kp6B-1ddzA:
0.0		 3kp6A-1ddzA:
16.12
3kp6B-1ddzA:
16.12
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.
1f68 HISTONE
ACETYLTRANSFERASE

(Homo sapiens) 		PF00439
(Bromodomain) 		4 GLU A 806
ASN A 808
ASN A 803
ILE A 801
 None
 1.19A 3kp6A-1f68A:
undetectable
3kp6B-1f68A:
undetectable		 3kp6A-1f68A:
17.65
3kp6B-1f68A:
17.65
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.
1grj GREA PROTEIN

(Escherichia
coli) 		PF01272
(GreA_GreB)
PF03449
(GreA_GreB_N) 		4 GLU A  47
HIS A  39
ASN A  45
ILE A  33
 None
 1.29A 3kp6A-1grjA:
2.6
3kp6B-1grjA:
2.3		 3kp6A-1grjA:
22.09
3kp6B-1grjA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		4 GLU A  15
ASN A  13
HIS A 186
ASN A 185
 None
 1.14A 3kp6A-1h76A:
0.0
3kp6B-1h76A:
0.0		 3kp6A-1h76A:
12.52
3kp6B-1h76A:
12.52
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.
1khu SMAD1

(Homo sapiens) 		PF03166
(MH2) 		4 GLU A 387
ASN A 385
ASN A 359
ILE A 382
 None
 1.20A 3kp6A-1khuA:
undetectable
3kp6B-1khuA:
0.0		 3kp6A-1khuA:
18.58
3kp6B-1khuA:
18.58
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		4 GLU A 155
HIS A 214
ASN A 212
ILE A 158
 None
 1.07A 3kp6A-1l1jA:
undetectable
3kp6B-1l1jA:
undetectable		 3kp6A-1l1jA:
17.15
3kp6B-1l1jA:
17.15
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.
1m1j FIBRINOGEN BETA
CHAIN
FIBRINOGEN GAMMA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 HIS B 181
ASN C 117
MET C 116
ILE C 115
 None
 1.17A 3kp6A-1m1jB:
undetectable
3kp6B-1m1jB:
0.0		 3kp6A-1m1jB:
14.79
3kp6B-1m1jB:
14.79
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLU A 173
ASN A 229
HIS A 532
MET A 536
 None
 0.91A 3kp6A-1nowA:
0.0
3kp6B-1nowA:
0.0		 3kp6A-1nowA:
13.61
3kp6B-1nowA:
13.61
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.
1nps DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		4 GLU A   9
ASN A   8
ASN A  75
ILE A  38
 None
None
CA  A  90 ( 4.7A)
None
 1.33A 3kp6A-1npsA:
undetectable
3kp6B-1npsA:
undetectable		 3kp6A-1npsA:
18.24
3kp6B-1npsA:
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 GLU A 221
ASN A 219
ASN A 217
ILE A 262
 None
 1.05A 3kp6A-1p9bA:
0.0
3kp6B-1p9bA:
undetectable		 3kp6A-1p9bA:
15.87
3kp6B-1p9bA:
15.87
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.
1pjb L-ALANINE
DEHYDROGENASE

(Phormidium
lapideum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 GLU A 117
HIS A 350
ASN A 342
ILE A 114
 None
 1.24A 3kp6A-1pjbA:
undetectable
3kp6B-1pjbA:
undetectable		 3kp6A-1pjbA:
16.22
3kp6B-1pjbA:
16.22
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		4 HIS A 227
ASN A 198
ILE A 196
LYS A 223
 None
 1.29A 3kp6A-1q50A:
undetectable
3kp6B-1q50A:
undetectable		 3kp6A-1q50A:
13.87
3kp6B-1q50A:
13.87
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		4 GLU E 297
ASN E 290
MET E 289
ILE E 228
 None
None
HH0  E 327 ( 4.1A)
None
 1.22A 3kp6A-1qrpE:
undetectable
3kp6B-1qrpE:
undetectable		 3kp6A-1qrpE:
17.25
3kp6B-1qrpE:
17.25
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		4 GLU A 203
ASN A 167
ASN A 201
ILE A 205
 None
 1.11A 3kp6A-1x3lA:
undetectable
3kp6B-1x3lA:
undetectable		 3kp6A-1x3lA:
16.93
3kp6B-1x3lA:
16.93
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.
1x40 ARAP2

(Homo sapiens) 		PF00536
(SAM_1) 		4 GLU A  13
ASN A  15
MET A  78
LYS A  43
 None
 1.28A 3kp6A-1x40A:
undetectable
3kp6B-1x40A:
undetectable		 3kp6A-1x40A:
21.71
3kp6B-1x40A:
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		4 GLU A 124
ASN A 126
ASN A 129
MET A 128
 None
 1.26A 3kp6A-1xfuA:
undetectable
3kp6B-1xfuA:
undetectable		 3kp6A-1xfuA:
13.71
3kp6B-1xfuA:
13.71
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.
2bzg THIOPURINE
S-METHYLTRANSFERASE

(Homo sapiens) 		PF05724
(TPMT) 		4 GLU A 244
LYS A 245
ASN A 213
ILE A 211
 None
 1.25A 3kp6A-2bzgA:
undetectable
3kp6B-2bzgA:
undetectable		 3kp6A-2bzgA:
19.57
3kp6B-2bzgA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwr OUTER CAPSID PROTEIN

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		4 LYS A 136
ASN A 135
HIS A 111
ASN A 132
 None
 1.16A 3kp6A-2dwrA:
undetectable
3kp6B-2dwrA:
undetectable		 3kp6A-2dwrA:
20.47
3kp6B-2dwrA:
20.47
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		4 GLU A 330
HIS A 516
ILE A 325
LYS A 373
 None
 1.20A 3kp6A-2e0wA:
undetectable
3kp6B-2e0wA:
undetectable		 3kp6A-2e0wA:
15.43
3kp6B-2e0wA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eez ALANINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 GLU A 116
HIS A 349
ASN A 341
ILE A 113
 None
 1.27A 3kp6A-2eezA:
undetectable
3kp6B-2eezA:
undetectable		 3kp6A-2eezA:
17.90
3kp6B-2eezA:
17.90
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.
2eta TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 2

(Rattus
norvegicus) 		PF12796
(Ank_2) 		4 ASN A 259
ASN A 263
ILE A 256
LYS A 307
 None
 1.29A 3kp6A-2etaA:
undetectable
3kp6B-2etaA:
undetectable		 3kp6A-2etaA:
20.63
3kp6B-2etaA:
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.
2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES

(Escherichia
coli) 		PF07995
(GSDH) 		4 GLU A 220
ASN A 211
ASN A 222
ILE A 193
 CA  A2002 (-2.2A)
None
CA  A2002 ( 4.4A)
None
 1.27A 3kp6A-2g8sA:
undetectable
3kp6B-2g8sA:
undetectable		 3kp6A-2g8sA:
18.80
3kp6B-2g8sA:
18.80
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 4 GLU M 173
ASN M 229
HIS N 532
MET N 536
 None
 0.87A 3kp6A-2gk1M:
undetectable
3kp6B-2gk1M:
undetectable		 3kp6A-2gk1M:
24.38
3kp6B-2gk1M:
24.38
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 HIS A   8
ASN A 200
MET A 240
LYS A  30
 None
 1.35A 3kp6A-2hnhA:
undetectable
3kp6B-2hnhA:
undetectable		 3kp6A-2hnhA:
12.13
3kp6B-2hnhA:
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.
2i00 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 GLU A 399
HIS A 191
ASN A 368
MET A 367
 None
 1.21A 3kp6A-2i00A:
undetectable
3kp6B-2i00A:
undetectable		 3kp6A-2i00A:
17.35
3kp6B-2i00A:
17.35
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.
2ii7 ANABAENA SENSORY
RHODOPSIN TRANSDUCER
PROTEIN

(Anabaena sp.) 		PF07100
(ASRT) 		4 GLU A  41
HIS A  44
ASN A  96
ILE A  99
 None
 1.24A 3kp6A-2ii7A:
undetectable
3kp6B-2ii7A:
undetectable		 3kp6A-2ii7A:
19.87
3kp6B-2ii7A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j44 ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF03714
(PUD) 		4 GLU A  19
ASN A  21
ASN A  77
ILE A  75
 None
 1.22A 3kp6A-2j44A:
undetectable
3kp6B-2j44A:
undetectable		 3kp6A-2j44A:
21.30
3kp6B-2j44A:
21.30
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		4 GLU A 261
ASN A 258
ASN A 260
ILE A 153
 None
 1.28A 3kp6A-2nrjA:
0.9
3kp6B-2nrjA:
undetectable		 3kp6A-2nrjA:
19.58
3kp6B-2nrjA:
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.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		4 GLU A   7
LYS A   5
ASN A  90
ILE A  88
 None
 1.18A 3kp6A-2p2vA:
undetectable
3kp6B-2p2vA:
undetectable		 3kp6A-2p2vA:
20.21
3kp6B-2p2vA:
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.
2qyz UNCHARACTERIZED
PROTEIN

(Clostridium
tetani) 		PF09643
(YopX) 		4 GLU A  63
LYS A  64
ASN A  62
ILE A  66
 None
 1.33A 3kp6A-2qyzA:
undetectable
3kp6B-2qyzA:
undetectable		 3kp6A-2qyzA:
24.20
3kp6B-2qyzA:
24.20
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 GLU F 627
HIS F 309
MET F 621
ILE F 622
 None
 1.26A 3kp6A-2v2fF:
undetectable
3kp6B-2v2fF:
undetectable		 3kp6A-2v2fF:
18.83
3kp6B-2v2fF:
18.83
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.
2ver AFIMBRIAL ADHESIN
AFA-III
ARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 5

(Escherichia
coli;
Homo sapiens) 		PF04619
(Adhesin_Dr)
PF07686
(V-set) 		4 ASN N  97
ASN A  74
MET A  72
ILE A  96
 MTN  N1111 (-3.5A)
None
MTN  N1111 (-2.4A)
None
 1.35A 3kp6A-2verN:
undetectable
3kp6B-2verN:
undetectable		 3kp6A-2verN:
20.53
3kp6B-2verN:
20.53
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 GLU A 268
HIS A 278
ASN A 274
ILE A 259
 None
 1.11A 3kp6A-2w8dA:
undetectable
3kp6B-2w8dA:
undetectable		 3kp6A-2w8dA:
15.97
3kp6B-2w8dA:
15.97
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		4 GLU A 372
ASN A 207
ASN A 182
ILE A 394
 None
 1.30A 3kp6A-2zyiA:
undetectable
3kp6B-2zyiA:
undetectable		 3kp6A-2zyiA:
15.63
3kp6B-2zyiA:
15.63
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLU A 548
HIS A 380
ASN A 378
ILE A 432
 None
 1.34A 3kp6A-3bgaA:
undetectable
3kp6B-3bgaA:
undetectable		 3kp6A-3bgaA:
10.16
3kp6B-3bgaA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c0b CONSERVED ARCHAEAL
PROTEIN Q6M145

(Methanococcus
maripaludis) 		PF01968
(Hydantoinase_A) 		4 GLU A  80
ASN A  77
ILE A  75
LYS A  37
 None
 0.98A 3kp6A-3c0bA:
0.0
3kp6B-3c0bA:
undetectable		 3kp6A-3c0bA:
21.88
3kp6B-3c0bA:
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.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		4 GLU A 233
HIS A  25
ASN A 253
ILE A 251
 None
GOL  A 350 (-3.8A)
None
None
 1.12A 3kp6A-3cq0A:
undetectable
3kp6B-3cq0A:
undetectable		 3kp6A-3cq0A:
22.44
3kp6B-3cq0A:
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.
3db9 UPF0317 PROTEIN
ATU3911

(Agrobacterium
fabrum) 		PF07286
(DUF1445) 		4 ASN A  42
HIS A 252
MET A 257
ILE A 259
 None
 1.15A 3kp6A-3db9A:
undetectable
3kp6B-3db9A:
undetectable		 3kp6A-3db9A:
18.86
3kp6B-3db9A:
18.86
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.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		4 GLU A  48
HIS A 104
ASN A 134
LYS A 155
 CA  A 707 (-3.1A)
None
CA  A 707 (-3.0A)
None
 1.29A 3kp6A-3dr2A:
undetectable
3kp6B-3dr2A:
undetectable		 3kp6A-3dr2A:
16.77
3kp6B-3dr2A:
16.77
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 LYS A1085
ASN A1090
HIS A1160
ILE A1083
 None
 1.35A 3kp6A-3ecqA:
undetectable
3kp6B-3ecqA:
undetectable		 3kp6A-3ecqA:
7.33
3kp6B-3ecqA:
7.33
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.
3f1c PUTATIVE
2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
2

(Listeria
monocytogenes) 		PF01128
(IspD) 		4 GLU A 122
ASN A 124
ASN A  43
ILE A   2
 None
 1.17A 3kp6A-3f1cA:
undetectable
3kp6B-3f1cA:
undetectable		 3kp6A-3f1cA:
22.13
3kp6B-3f1cA:
22.13
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.
3g06 SSPH2 (LEUCINE-RICH
REPEAT PROTEIN)

(Salmonella
enterica) 		PF14496
(NEL) 		4 GLU A 453
ASN A 455
ASN A 451
ILE A 479
 None
 1.13A 3kp6A-3g06A:
4.0
3kp6B-3g06A:
undetectable		 3kp6A-3g06A:
12.56
3kp6B-3g06A:
12.56
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLU A 264
ASN A 265
ASN A 297
ILE A 287
 None
None
SO4  A 453 (-3.5A)
None
 0.78A 3kp6A-3lk7A:
undetectable
3kp6B-3lk7A:
undetectable		 3kp6A-3lk7A:
15.93
3kp6B-3lk7A:
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.
3lqj MLL1 PHD3-BROMO

(Homo sapiens) 		PF00628
(PHD) 		4 GLU A1746
LYS A1748
ASN A1751
HIS A1659
 None
 1.12A 3kp6A-3lqjA:
1.4
3kp6B-3lqjA:
1.9		 3kp6A-3lqjA:
22.11
3kp6B-3lqjA:
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		4 GLU A 100
HIS A 221
ASN A 207
MET A 206
 None
 1.33A 3kp6A-3njxA:
undetectable
3kp6B-3njxA:
undetectable		 3kp6A-3njxA:
13.36
3kp6B-3njxA:
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.
3nqw CG11900

(Drosophila
melanogaster) 		PF13328
(HD_4) 		4 LYS A 124
ASN A 127
HIS A  36
ILE A 119
 None
MN  A 300 ( 4.2A)
MN  A 300 (-3.5A)
None
 1.08A 3kp6A-3nqwA:
undetectable
3kp6B-3nqwA:
undetectable		 3kp6A-3nqwA:
25.65
3kp6B-3nqwA:
25.65
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.
3owv DNA-ENTRY NUCLEASE

(Streptococcus
pneumoniae) 		PF01223
(Endonuclease_NS) 		4 GLU A 240
LYS A  84
ASN A  81
ASN A  86
 None
 1.17A 3kp6A-3owvA:
undetectable
3kp6B-3owvA:
undetectable		 3kp6A-3owvA:
21.86
3kp6B-3owvA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5

(Thermotoga
petrophila) 		PF00150
(Cellulase) 		4 ASN A 133
HIS A 152
ASN A 141
MET A 140
 None
 1.27A 3kp6A-3pz9A:
undetectable
3kp6B-3pz9A:
undetectable		 3kp6A-3pz9A:
16.84
3kp6B-3pz9A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rp9 MITOGEN-ACTIVATED
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 GLU A 102
ASN A 186
HIS A 179
LYS A 183
 None
 1.26A 3kp6A-3rp9A:
undetectable
3kp6B-3rp9A:
undetectable		 3kp6A-3rp9A:
18.40
3kp6B-3rp9A:
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 GLU A 310
LYS A 311
ASN A 335
ILE A 264
 None
 1.24A 3kp6A-3wstA:
undetectable
3kp6B-3wstA:
undetectable		 3kp6A-3wstA:
14.10
3kp6B-3wstA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8a POLY(A) RIBONUCLEASE
POP2

(Saccharomyces
cerevisiae) 		PF04857
(CAF1) 		4 LYS B 125
ASN B 127
ASN B 103
ILE B  79
 None
 1.34A 3kp6A-4b8aB:
undetectable
3kp6B-4b8aB:
undetectable		 3kp6A-4b8aB:
20.85
3kp6B-4b8aB:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		5 HIS A  42
ASN A  45
MET A  46
ILE A  49
LYS A  60
 None
 0.75A 3kp6A-4ejuA:
18.7
3kp6B-4ejuA:
19.6		 3kp6A-4ejuA:
100.00
3kp6B-4ejuA:
100.00
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.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 GLU A 101
LYS A 100
ASN A  99
ILE A  83
 None
None
None
FAD  A 401 (-4.4A)
 1.23A 3kp6A-4gcmA:
undetectable
3kp6B-4gcmA:
undetectable		 3kp6A-4gcmA:
21.50
3kp6B-4gcmA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gf2 ERYTHROCYTE BINDING
ANTIGEN 140

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 GLU A 561
LYS A 559
ASN A 563
ASN A 565
 None
None
None
GOL  A 812 ( 4.1A)
 1.32A 3kp6A-4gf2A:
undetectable
3kp6B-4gf2A:
0.2		 3kp6A-4gf2A:
13.88
3kp6B-4gf2A:
13.88
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASN A 199
HIS A 188
ASN A 189
ILE A 159
 None
 1.30A 3kp6A-4ha6A:
undetectable
3kp6B-4ha6A:
undetectable		 3kp6A-4ha6A:
12.92
3kp6B-4ha6A:
12.92
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.
4hjc ENVELOPE
GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF07245
(Phlebovirus_G2) 		4 LYS A 813
ASN A 812
HIS A 836
ILE A 954
 None
 1.31A 3kp6A-4hjcA:
undetectable
3kp6B-4hjcA:
undetectable		 3kp6A-4hjcA:
14.75
3kp6B-4hjcA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkx HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLU E  72
ASN E  68
ASN E 150
ILE E  65
 None
NAG  E 301 (-3.5A)
None
None
 1.30A 3kp6A-4hkxE:
undetectable
3kp6B-4hkxE:
undetectable		 3kp6A-4hkxE:
21.15
3kp6B-4hkxE:
21.15
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		4 GLU A 236
ASN A 235
HIS A 254
ILE A 242
 None
 1.32A 3kp6A-4hl0A:
undetectable
3kp6B-4hl0A:
undetectable		 3kp6A-4hl0A:
18.66
3kp6B-4hl0A:
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		4 GLU A 893
ASN A 891
MET A 863
ILE A 860
 None
 1.16A 3kp6A-4htzA:
undetectable
3kp6B-4htzA:
undetectable		 3kp6A-4htzA:
19.71
3kp6B-4htzA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 GLU A 101
LYS A  18
ASN A  19
ILE A  16
 None
 1.25A 3kp6A-4ktpA:
undetectable
3kp6B-4ktpA:
undetectable		 3kp6A-4ktpA:
11.55
3kp6B-4ktpA:
11.55
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.
4l5f HEAVY CHAIN OF E106
ANTIBODY (VH AND CH1
OF IGG2C)
LIGHT CHAIN OF E106
ANTIBODY (KAPPA)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU L  50
ASN H  97
ASN L  34
ILE L  48
 None
 1.29A 3kp6A-4l5fL:
undetectable
3kp6B-4l5fL:
undetectable		 3kp6A-4l5fL:
22.64
3kp6B-4l5fL:
22.64
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.
4lxy WLARD, A SUGAR
3N-FORMYL
TRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		4 GLU A  85
ASN A  86
ASN A 129
ILE A 127
 None
None
None
1YA  A 301 (-4.3A)
 1.31A 3kp6A-4lxyA:
undetectable
3kp6B-4lxyA:
undetectable		 3kp6A-4lxyA:
21.66
3kp6B-4lxyA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 GLU A 491
ASN A 353
MET A 508
LYS A 356
 None
 1.22A 3kp6A-4mvfA:
undetectable
3kp6B-4mvfA:
undetectable		 3kp6A-4mvfA:
15.63
3kp6B-4mvfA:
15.63
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.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 4 GLU A  87
HIS A  86
ASN A  88
LYS A 155
 CA  A 402 (-2.9A)
None
None
None
 1.22A 3kp6A-4wmyA:
undetectable
3kp6B-4wmyA:
undetectable		 3kp6A-4wmyA:
19.09
3kp6B-4wmyA:
19.09
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 GLU A 326
LYS A 324
ASN A 323
ILE A 354
 None
 1.34A 3kp6A-4ydqA:
0.6
3kp6B-4ydqA:
0.9		 3kp6A-4ydqA:
15.51
3kp6B-4ydqA:
15.51
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		4 LYS A 958
HIS A 964
ASN A 963
ILE A 621
 None
 1.05A 3kp6A-5b16A:
undetectable
3kp6B-5b16A:
undetectable		 3kp6A-5b16A:
8.87
3kp6B-5b16A:
8.87
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.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLU A 140
ASN A 279
HIS A 249
ILE A 287
 None
4VN  A 402 (-2.7A)
4VN  A 402 (-4.1A)
None
 1.32A 3kp6A-5bqsA:
undetectable
3kp6B-5bqsA:
undetectable		 3kp6A-5bqsA:
19.37
3kp6B-5bqsA:
19.37
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLU A 326
ASN A 325
ASN A 350
ILE A 322
 None
 1.35A 3kp6A-5bz4A:
undetectable
3kp6B-5bz4A:
undetectable		 3kp6A-5bz4A:
15.62
3kp6B-5bz4A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8c VP0

(Enterovirus A) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 GLU B 211
ASN B 212
HIS B 214
ILE B 204
 None
None
None
CL  B 401 (-4.1A)
 1.22A 3kp6A-5c8cB:
undetectable
3kp6B-5c8cB:
undetectable		 3kp6A-5c8cB:
17.79
3kp6B-5c8cB:
17.79
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 GLU A 385
ASN A 383
MET A 387
ILE A 390
 None
 1.23A 3kp6A-5d9aA:
1.9
3kp6B-5d9aA:
2.5		 3kp6A-5d9aA:
13.93
3kp6B-5d9aA:
13.93
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 GLU B 281
HIS B 282
ASN B 306
MET B 307
 None
 1.29A 3kp6A-5do8B:
undetectable
3kp6B-5do8B:
undetectable		 3kp6A-5do8B:
14.74
3kp6B-5do8B:
14.74
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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 GLU A 570
ASN A 572
ASN A 568
ILE A 591
 None
 1.15A 3kp6A-5gs0A:
undetectable
3kp6B-5gs0A:
undetectable		 3kp6A-5gs0A:
12.82
3kp6B-5gs0A:
12.82
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 4 HIS C 431
ASN C 434
MET C 435
ILE C 437
 None
 1.33A 3kp6A-5hr4C:
undetectable
3kp6B-5hr4C:
undetectable		 3kp6A-5hr4C:
11.22
3kp6B-5hr4C:
11.22
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		4 GLU A 400
LYS A 352
HIS A 350
ASN A 381
 None
 1.25A 3kp6A-5hucA:
undetectable
3kp6B-5hucA:
0.4		 3kp6A-5hucA:
16.09
3kp6B-5hucA:
16.09
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		4 GLU A 180
ASN A 182
HIS A 181
ILE A 175
 None
 1.16A 3kp6A-5husA:
3.7
3kp6B-5husA:
3.5		 3kp6A-5husA:
21.05
3kp6B-5husA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		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) 		4 GLU A 280
ASN A 282
HIS A 281
ILE A 274
 None
 1.23A 3kp6A-5ip9A:
undetectable
3kp6B-5ip9A:
undetectable		 3kp6A-5ip9A:
6.72
3kp6B-5ip9A:
6.72
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.
5jb3 30S RIBOSOMAL
PROTEIN S6E

(Pyrococcus
abyssi) 		PF01092
(Ribosomal_S6e) 		4 GLU G  49
ASN G  46
ASN G  44
ILE G  21
 None
 1.21A 3kp6A-5jb3G:
undetectable
3kp6B-5jb3G:
undetectable		 3kp6A-5jb3G:
22.15
3kp6B-5jb3G:
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.
5jb3 30S RIBOSOMAL
PROTEIN S6E

(Pyrococcus
abyssi) 		PF01092
(Ribosomal_S6e) 		4 GLU G  49
ASN G  48
ASN G  44
ILE G  21
 None
 1.18A 3kp6A-5jb3G:
undetectable
3kp6B-5jb3G:
undetectable		 3kp6A-5jb3G:
22.15
3kp6B-5jb3G:
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 GLU A1461
ASN A1464
ASN A1404
ILE A1406
 None
 1.21A 3kp6A-5jbeA:
undetectable
3kp6B-5jbeA:
undetectable		 3kp6A-5jbeA:
10.74
3kp6B-5jbeA:
10.74
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.
5knl UBIQUITIN-CONJUGATIN
G ENZYME E2 15

(Schizosaccharomyces
pombe) 		PF00179
(UQ_con) 		4 ASN C  86
HIS C  84
ASN C 138
ILE C  78
 None
 1.30A 3kp6A-5knlC:
undetectable
3kp6B-5knlC:
undetectable		 3kp6A-5knlC:
21.69
3kp6B-5knlC:
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ASN A 220
HIS A 309
ASN A 312
MET A 313
 None
None
None
ARG  A 403 ( 4.6A)
 1.29A 3kp6A-5lunA:
undetectable
3kp6B-5lunA:
0.5		 3kp6A-5lunA:
17.13
3kp6B-5lunA:
17.13
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF08638
(Med14)
PF10156
(Med17) 		4 GLU A 482
ASN W 518
ASN W 525
ILE A 553
 None
 1.16A 3kp6A-5n9jA:
undetectable
3kp6B-5n9jA:
undetectable		 3kp6A-5n9jA:
14.39
3kp6B-5n9jA:
14.39
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.
5oqr CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 4 GLU A 494
ASN A 493
HIS A 435
ILE A 427
 None
 1.34A 3kp6A-5oqrA:
undetectable
3kp6B-5oqrA:
undetectable		 3kp6A-5oqrA:
11.13
3kp6B-5oqrA:
11.13
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.
5tuu TRANSCRIPTION FACTOR
E2F4

(Homo sapiens) 		PF16421
(E2F_CC-MB) 		4 GLU B 130
ASN B 134
ASN B 127
ILE B 125
 None
 1.14A 3kp6A-5tuuB:
undetectable
3kp6B-5tuuB:
undetectable		 3kp6A-5tuuB:
22.88
3kp6B-5tuuB:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 GLU A  46
LYS A  48
ASN A  45
ILE A  41
 None
NAP  A 301 ( 4.9A)
None
None
 1.09A 3kp6A-5u9pA:
undetectable
3kp6B-5u9pA:
undetectable		 3kp6A-5u9pA:
19.41
3kp6B-5u9pA:
19.41
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		4 LYS A 163
HIS A 171
ASN A 174
ILE A 159
 None
 1.29A 3kp6A-5vatA:
undetectable
3kp6B-5vatA:
undetectable		 3kp6A-5vatA:
14.53
3kp6B-5vatA:
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.
5vk2 PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lassa
mammarenavirus) 		PF00798
(Arena_glycoprot) 		4 GLU a 308
ASN a 346
ASN a 353
ILE A 239
 None
 1.18A 3kp6A-5vk2a:
undetectable
3kp6B-5vk2a:
undetectable		 3kp6A-5vk2a:
19.77
3kp6B-5vk2a:
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.
5xyi RIBOSOMAL PROTEIN
S3AE, PUTATIVE

(Trichomonas
vaginalis) 		PF01015
(Ribosomal_S3Ae) 		4 GLU B  24
LYS B  23
ASN B  46
ILE B  21
 None
C  2 716 ( 2.7A)
None
None
 1.13A 3kp6A-5xyiB:
undetectable
3kp6B-5xyiB:
undetectable		 3kp6A-5xyiB:
20.49
3kp6B-5xyiB:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yx9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Homo sapiens) 		no annotation 4 GLU A 144
ASN A 143
HIS A 145
ILE A 887
 None
 1.17A 3kp6A-5yx9A:
2.8
3kp6B-5yx9A:
3.4		 3kp6A-5yx9A:
17.45
3kp6B-5yx9A:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 4 GLU A 398
ASN A 356
HIS A 401
ILE A 329
 None
 1.30A 3kp6A-5z5dA:
undetectable
3kp6B-5z5dA:
undetectable		 3kp6A-5z5dA:
16.89
3kp6B-5z5dA:
16.89
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.
6ayh TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Salmonella
enterica) 		no annotation 4 GLU A 122
HIS A 129
ASN A 126
ILE A  65
 None
 1.30A 3kp6A-6ayhA:
undetectable
3kp6B-6ayhA:
undetectable		 3kp6A-6ayhA:
19.73
3kp6B-6ayhA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9x HEPATITIS B VIRUS X
INTERACTING PROTEIN

(Homo sapiens) 		no annotation 4 ASN E 153
HIS E 169
ASN E 155
MET E 171
 None
 1.01A 3kp6A-6b9xE:
undetectable
3kp6B-6b9xE:
undetectable		 3kp6A-6b9xE:
23.63
3kp6B-6b9xE:
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.
6c08 ANTIBODY FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 4 ASN A  96
ASN A  35
MET A  34
ILE A  51
 None
 1.16A 3kp6A-6c08A:
undetectable
3kp6B-6c08A:
undetectable		 3kp6A-6c08A:
19.74
3kp6B-6c08A:
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 4 LYS A 462
ASN A 458
HIS A 433
MET A 467
 None
 1.34A 3kp6A-6cf6A:
undetectable
3kp6B-6cf6A:
undetectable		 3kp6A-6cf6A:
19.46
3kp6B-6cf6A:
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.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 4 LYS A 813
ASN A 812
HIS A 836
ILE A 954
 None
 1.30A 3kp6A-6egtA:
undetectable
3kp6B-6egtA:
undetectable		 3kp6A-6egtA:
14.29
3kp6B-6egtA:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE

(Acetobacterium
woodii) 		no annotation 4 GLU A 364
LYS A 362
ASN A 361
ASN A 365
 None
FAD  A 401 (-4.7A)
FAD  A 401 (-2.9A)
None
 1.28A 3kp6A-6fahA:
undetectable
3kp6B-6fahA:
undetectable		 3kp6A-6fahA:
16.88
3kp6B-6fahA:
16.88
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.
6fzv PROCOLLAGEN
C-ENDOPEPTIDASE
ENHANCER 1

(Homo sapiens) 		no annotation 4 GLU D 225
ASN D 197
ASN D 224
ILE D 173
 None
 1.23A 3kp6A-6fzvD:
undetectable
3kp6B-6fzvD:
undetectable		 3kp6A-6fzvD:
19.21
3kp6B-6fzvD:
19.21