SIMILAR PATTERNS OF AMINO ACIDS FOR 4LAJ_B_ACAB512_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.
1dgf CATALASE

(Homo sapiens) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 147
ASP A 144
PRO A 336
ARG A 354
 HEM  A3000 (-3.8A)
None
None
HEM  A3000 (-3.5A)
 1.10A 4lajA-1dgfA:
undetectable
4lajB-1dgfA:
undetectable		 4lajA-1dgfA:
19.96
4lajB-1dgfA:
19.96
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.
1dgf CATALASE

(Homo sapiens) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 216
ASP A 144
PRO A 336
ARG A 354
 HEM  A3000 (-4.9A)
None
None
HEM  A3000 (-3.5A)
 0.97A 4lajA-1dgfA:
undetectable
4lajB-1dgfA:
undetectable		 4lajA-1dgfA:
19.96
4lajB-1dgfA:
19.96
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ARG A 443
GLY A 442
ASP A 413
PRO A 415
 None
None
API  A1499 (-3.6A)
None
 1.05A 4lajA-1e8cA:
0.0
4lajB-1e8cA:
0.0		 4lajA-1e8cA:
19.85
4lajB-1e8cA:
19.85
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 126
ASP A 123
PRO A 315
ARG A 333
 HEM  A 600 (-3.8A)
None
None
HEM  A 600 (-3.5A)
 1.08A 4lajA-1h7kA:
undetectable
4lajB-1h7kA:
undetectable		 4lajA-1h7kA:
19.08
4lajB-1h7kA:
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 195
ASP A 123
PRO A 315
ARG A 333
 None
None
None
HEM  A 600 (-3.5A)
 1.01A 4lajA-1h7kA:
undetectable
4lajB-1h7kA:
undetectable		 4lajA-1h7kA:
19.08
4lajB-1h7kA:
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.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 132
ASP A 129
PRO A 321
ARG A 339
 HEM  A 504 (-3.8A)
None
None
HEM  A 504 (-3.5A)
 1.08A 4lajA-1hbzA:
undetectable
4lajB-1hbzA:
undetectable		 4lajA-1hbzA:
22.03
4lajB-1hbzA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 201
ASP A 129
PRO A 321
ARG A 339
 None
None
None
HEM  A 504 (-3.5A)
 0.98A 4lajA-1hbzA:
undetectable
4lajB-1hbzA:
undetectable		 4lajA-1hbzA:
22.03
4lajB-1hbzA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 GLY A 138
ASP A 207
PRO A 127
ARG A 241
 None
 1.03A 4lajA-1hkhA:
undetectable
4lajB-1hkhA:
undetectable		 4lajA-1hkhA:
19.02
4lajB-1hkhA:
19.02
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 ARG A 372
GLY A 329
ASP A 541
HIS A 289
 DHE  A 602 (-3.6A)
None
None
None
 1.17A 4lajA-1hzvA:
undetectable
4lajB-1hzvA:
undetectable		 4lajA-1hzvA:
21.56
4lajB-1hzvA:
21.56
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 ARG A 372
GLY A 371
ASP A 541
HIS A 289
 DHE  A 602 (-3.6A)
DHE  A 602 ( 3.9A)
None
None
 1.19A 4lajA-1hzvA:
undetectable
4lajB-1hzvA:
undetectable		 4lajA-1hzvA:
21.56
4lajB-1hzvA:
21.56
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		4 ARG A 561
GLY A 523
ASP A 321
HIS A 585
 None
None
CD  A 601 ( 4.4A)
CD  A 601 ( 3.6A)
 1.03A 4lajA-1ii0A:
0.0
4lajB-1ii0A:
undetectable		 4lajA-1ii0A:
19.39
4lajB-1ii0A:
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 ARG A 164
GLY A 165
ASP A 194
HIS A 131
 None
 1.22A 4lajA-1jaeA:
undetectable
4lajB-1jaeA:
undetectable		 4lajA-1jaeA:
18.35
4lajB-1jaeA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 149
ASP A 146
PRO A 336
ARG A 354
 HEM  A 600 (-4.0A)
None
None
HEM  A 600 (-3.5A)
 1.11A 4lajA-1m7sA:
undetectable
4lajB-1m7sA:
0.0		 4lajA-1m7sA:
20.24
4lajB-1m7sA:
20.24
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 218
ASP A 146
PRO A 336
ARG A 354
 None
None
None
HEM  A 600 (-3.5A)
 0.99A 4lajA-1m7sA:
undetectable
4lajB-1m7sA:
0.0		 4lajA-1m7sA:
20.24
4lajB-1m7sA:
20.24
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ARG A 107
GLY A  28
ASP A 175
HIS A 198
 EPU  A 598 (-3.8A)
EPU  A 598 (-3.2A)
EPU  A 598 (-3.4A)
MG  A 776 ( 3.5A)
 1.26A 4lajA-1p31A:
undetectable
4lajB-1p31A:
undetectable		 4lajA-1p31A:
22.34
4lajB-1p31A:
22.34
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 200
ASP A 197
PRO A 393
ARG A 411
 HEM  A 754 (-3.8A)
None
None
HEM  A 754 (-3.5A)
 1.07A 4lajA-1qf7A:
undetectable
4lajB-1qf7A:
undetectable		 4lajA-1qf7A:
19.36
4lajB-1qf7A:
19.36
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 273
ASP A 197
PRO A 393
ARG A 411
 None
None
None
HEM  A 754 (-3.5A)
 0.97A 4lajA-1qf7A:
undetectable
4lajB-1qf7A:
undetectable		 4lajA-1qf7A:
19.36
4lajB-1qf7A:
19.36
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 126
ASP A 123
PRO A 315
ARG A 333
 HEM  A 501 (-3.8A)
None
None
HEM  A 501 (-3.5A)
 1.04A 4lajA-1si8A:
undetectable
4lajB-1si8A:
undetectable		 4lajA-1si8A:
21.71
4lajB-1si8A:
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 195
ASP A 123
PRO A 315
ARG A 333
 None
None
None
HEM  A 501 (-3.5A)
 0.94A 4lajA-1si8A:
undetectable
4lajB-1si8A:
undetectable		 4lajA-1si8A:
21.71
4lajB-1si8A:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ARG A 290
GLY A 161
HIS A 166
ARG A 287
 FAD  A 493 ( 3.9A)
FAD  A 493 (-3.5A)
None
FAD  A 493 ( 3.5A)
 1.24A 4lajA-1typA:
undetectable
4lajB-1typA:
undetectable		 4lajA-1typA:
20.47
4lajB-1typA:
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A  61
GLY A  52
ASP A 261
PRO A 263
 None
 1.25A 4lajA-1vrqA:
undetectable
4lajB-1vrqA:
undetectable		 4lajA-1vrqA:
15.89
4lajB-1vrqA:
15.89
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.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 200
ASP A 197
PRO E 393
ARG E 411
 HDD  E 760 (-3.8A)
None
None
HDD  E 760 (-3.8A)
 1.10A 4lajA-1ye9A:
undetectable
4lajB-1ye9A:
undetectable		 4lajA-1ye9A:
19.84
4lajB-1ye9A:
19.84
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.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 273
ASP A 197
PRO E 393
ARG E 411
 None
None
None
HDD  E 760 (-3.8A)
 1.06A 4lajA-1ye9A:
undetectable
4lajB-1ye9A:
undetectable		 4lajA-1ye9A:
19.84
4lajB-1ye9A:
19.84
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.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 GLY A  16
ASP A  68
PRO A  28
HIS A  34
 None
 1.14A 4lajA-2a5vA:
undetectable
4lajB-2a5vA:
undetectable		 4lajA-2a5vA:
21.11
4lajB-2a5vA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ARG A  62
GLY A  53
ASP A 262
PRO A 264
 None
 1.25A 4lajA-2gahA:
undetectable
4lajB-2gahA:
undetectable		 4lajA-2gahA:
15.51
4lajB-2gahA:
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.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 128
ASP A 125
PRO A 317
ARG A 335
 HEM  A 550 (-3.9A)
None
None
HEM  A 550 (-3.5A)
 1.07A 4lajA-2iqfA:
undetectable
4lajB-2iqfA:
undetectable		 4lajA-2iqfA:
19.81
4lajB-2iqfA:
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.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 197
ASP A 125
PRO A 317
ARG A 335
 None
None
None
HEM  A 550 (-3.5A)
 0.93A 4lajA-2iqfA:
undetectable
4lajB-2iqfA:
undetectable		 4lajA-2iqfA:
19.81
4lajB-2iqfA:
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 126
ASP A 123
PRO A 315
ARG A 333
 HEM  A 486 (-4.1A)
None
None
HEM  A 486 (-3.5A)
 1.09A 4lajA-2isaA:
undetectable
4lajB-2isaA:
undetectable		 4lajA-2isaA:
20.29
4lajB-2isaA:
20.29
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 195
ASP A 123
PRO A 315
ARG A 333
 None
None
None
HEM  A 486 (-3.5A)
 0.99A 4lajA-2isaA:
undetectable
4lajB-2isaA:
undetectable		 4lajA-2isaA:
20.29
4lajB-2isaA:
20.29
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.
2j2m CATALASE

(Exiguobacterium
oxidotolerans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 128
ASP A 125
PRO A 317
ARG A 335
 HEM  A 501 (-3.7A)
None
None
HEM  A 501 (-3.5A)
 1.08A 4lajA-2j2mA:
undetectable
4lajB-2j2mA:
undetectable		 4lajA-2j2mA:
21.04
4lajB-2j2mA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 GLY A2877
ASP A3040
PRO A2843
HIS A2840
 None
 1.23A 4lajA-2jd4A:
undetectable
4lajB-2jd4A:
undetectable		 4lajA-2jd4A:
20.89
4lajB-2jd4A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLY B 671
PRO B 347
HIS B 314
ARG B 269
 None
 1.11A 4lajA-2w55B:
undetectable
4lajB-2w55B:
undetectable		 4lajA-2w55B:
18.22
4lajB-2w55B:
18.22
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 136
ASP A 133
PRO A 329
ARG A 347
 HDD  A 690 (-3.9A)
None
None
HDD  A 690 (-3.6A)
 1.17A 4lajA-2xf2A:
undetectable
4lajB-2xf2A:
undetectable		 4lajA-2xf2A:
20.41
4lajB-2xf2A:
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 209
ASP A 133
PRO A 329
ARG A 347
 None
None
None
HDD  A 690 (-3.6A)
 0.99A 4lajA-2xf2A:
undetectable
4lajB-2xf2A:
undetectable		 4lajA-2xf2A:
20.41
4lajB-2xf2A:
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ARG A 168
GLY A 166
ASP A 236
PRO A 318
 None
 0.97A 4lajA-2ycbA:
undetectable
4lajB-2ycbA:
undetectable		 4lajA-2ycbA:
20.50
4lajB-2ycbA:
20.50
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		4 ARG A 337
ASP A  66
PRO A 286
ARG A 258
 FAD  A 700 (-3.3A)
FAD  A 700 (-4.1A)
None
None
 1.22A 4lajA-2ylzA:
undetectable
4lajB-2ylzA:
undetectable		 4lajA-2ylzA:
21.22
4lajB-2ylzA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		4 ARG A 250
GLY A 253
ASP A 184
ARG A 193
 None
 1.22A 4lajA-3ajaA:
undetectable
4lajB-3ajaA:
undetectable		 4lajA-3ajaA:
20.91
4lajB-3ajaA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dci ARYLESTERASE

(Agrobacterium
fabrum) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  28
GLY A  14
ASP A  31
PRO A  30
 None
 1.21A 4lajA-3dciA:
undetectable
4lajB-3dciA:
undetectable		 4lajA-3dciA:
19.74
4lajB-3dciA:
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.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		4 GLY A 164
ASP A  96
PRO A 272
ARG A 290
 HEM  A 501 (-4.1A)
None
None
HEM  A 501 (-3.3A)
 1.02A 4lajA-3e4wA:
undetectable
4lajB-3e4wA:
undetectable		 4lajA-3e4wA:
21.84
4lajB-3e4wA:
21.84
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 GLY A 167
ASP A 505
PRO A 511
ARG A 165
 None
 1.19A 4lajA-3epmA:
undetectable
4lajB-3epmA:
undetectable		 4lajA-3epmA:
21.27
4lajB-3epmA:
21.27
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.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		4 ARG A 132
GLY A 135
PRO A 125
HIS A 123
 None
 0.76A 4lajA-3g23A:
undetectable
4lajB-3g23A:
undetectable		 4lajA-3g23A:
20.38
4lajB-3g23A:
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.
3hdt PUTATIVE KINASE

([Clostridium]
symbiosum) 		PF13189
(Cytidylate_kin2) 		4 ARG A  25
GLY A  24
ASP A  41
ARG A 173
 None
PO4  A 301 (-3.6A)
None
PO4  A 301 (-2.8A)
 1.22A 4lajA-3hdtA:
undetectable
4lajB-3hdtA:
undetectable		 4lajA-3hdtA:
19.69
4lajB-3hdtA:
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 ARG A 184
ASP A 180
HIS A 351
ARG A 374
 None
 1.17A 4lajA-3i3lA:
undetectable
4lajB-3i3lA:
undetectable		 4lajA-3i3lA:
20.17
4lajB-3i3lA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D3

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF01423
(LSM)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 GLY B 561
ASP B 140
HIS D  14
ARG B 482
 None
 0.75A 4lajA-3jb9B:
undetectable
4lajB-3jb9B:
undetectable		 4lajA-3jb9B:
17.05
4lajB-3jb9B:
17.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jwo HIV-1 GP120 ENVELOPE
GLYCOPROTEIN

(Homo sapiens) 		PF00516
(GP120) 		4 ASP A  57
PRO A 214
HIS A 216
ARG A 252
 None
 0.63A 4lajA-3jwoA:
49.1
4lajB-3jwoA:
49.5		 4lajA-3jwoA:
82.19
4lajB-3jwoA:
82.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 320
ASP A 324
HIS A  65
ARG A 104
 None
ZN  A 425 (-2.6A)
ZN  A 425 (-3.3A)
None
 1.00A 4lajA-3mkvA:
undetectable
4lajB-3mkvA:
undetectable		 4lajA-3mkvA:
18.54
4lajB-3mkvA:
18.54
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.
3nzm DNA POLYMERASE III
SUBUNIT ALPHA

(Synechocystis
sp. PCC 6803) 		no annotation 4 ARG A  50
GLY A  51
ASP A 140
HIS A  72
 None
None
SNN  A 159 ( 4.9A)
SNN  A 159 ( 3.5A)
 1.22A 4lajA-3nzmA:
undetectable
4lajB-3nzmA:
undetectable		 4lajA-3nzmA:
18.13
4lajB-3nzmA:
18.13
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.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ARG A 328
GLY A 329
HIS A 311
ARG A 334
 None
 1.02A 4lajA-3oftA:
undetectable
4lajB-3oftA:
undetectable		 4lajA-3oftA:
19.82
4lajB-3oftA:
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		4 ARG A  46
GLY A  45
ASP A   4
ARG A 121
 None
 0.84A 4lajA-3qvfA:
undetectable
4lajB-3qvfA:
undetectable		 4lajA-3qvfA:
18.02
4lajB-3qvfA:
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		4 ARG A 283
GLY A 281
PRO A 186
HIS A 185
 None
 1.23A 4lajA-3r1jA:
undetectable
4lajB-3r1jA:
undetectable		 4lajA-3r1jA:
21.25
4lajB-3r1jA:
21.25
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		4 GLY A 367
ASP A 416
PRO A 414
ARG A 477
 None
 1.25A 4lajA-3rc3A:
undetectable
4lajB-3rc3A:
undetectable		 4lajA-3rc3A:
19.07
4lajB-3rc3A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 GLY A 215
ASP A 150
PRO A 234
ARG A 243
 None
 1.25A 4lajA-3slcA:
undetectable
4lajB-3slcA:
undetectable		 4lajA-3slcA:
22.94
4lajB-3slcA:
22.94
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 GLY A 214
ASP A 275
PRO A 174
HIS A 180
 None
MG  A 501 ( 2.8A)
SAH  A 601 (-4.8A)
MG  A 501 ( 4.5A)
 0.96A 4lajA-3ssmA:
undetectable
4lajB-3ssmA:
undetectable		 4lajA-3ssmA:
19.25
4lajB-3ssmA:
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 GLY A 215
ASP A 275
PRO A 174
HIS A 180
 None
MG  A 501 ( 2.8A)
SAH  A 601 (-4.8A)
MG  A 501 ( 4.5A)
 1.22A 4lajA-3ssmA:
undetectable
4lajB-3ssmA:
undetectable		 4lajA-3ssmA:
19.25
4lajB-3ssmA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tgq HIV-1 YU2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP A  57
PRO A 214
HIS A 216
ARG A 252
 None
None
None
NAG  A 502 ( 4.3A)
 0.30A 4lajA-3tgqA:
51.9
4lajB-3tgqA:
51.7		 4lajA-3tgqA:
100.00
4lajB-3tgqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP A  57
PRO A 214
HIS A 216
ARG A 252
 None
 0.47A 4lajA-3tihA:
45.0
4lajB-3tihA:
44.9		 4lajA-3tihA:
77.05
4lajB-3tihA:
77.05
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.
3tva XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

(Planctopirus
limnophila) 		PF01261
(AP_endonuc_2) 		4 GLY A  70
PRO A  42
HIS A  43
ARG A  45
 None
 1.18A 4lajA-3tvaA:
undetectable
4lajB-3tvaA:
undetectable		 4lajA-3tvaA:
21.34
4lajB-3tvaA:
21.34
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A 553
GLY A 552
ASP A 460
PRO A 462
 None
 1.19A 4lajA-3v8xA:
undetectable
4lajB-3v8xA:
undetectable		 4lajA-3v8xA:
17.90
4lajB-3v8xA:
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.
3zbi TRAF PROTEIN

(Escherichia
coli) 		PF03743
(TrbI) 		4 GLY A 829
ASP A 883
PRO A 834
ARG A 801
 None
 1.25A 4lajA-3zbiA:
undetectable
4lajB-3zbiA:
undetectable		 4lajA-3zbiA:
21.11
4lajB-3zbiA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 174
ASP A 171
PRO A 367
ARG A 385
 HEM  A1715 (-3.8A)
None
None
HEM  A1715 (-3.5A)
 1.17A 4lajA-4aj9A:
undetectable
4lajB-4aj9A:
undetectable		 4lajA-4aj9A:
19.60
4lajB-4aj9A:
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 247
ASP A 171
PRO A 367
ARG A 385
 None
None
None
HEM  A1715 (-3.5A)
 0.90A 4lajA-4aj9A:
undetectable
4lajB-4aj9A:
undetectable		 4lajA-4aj9A:
19.60
4lajB-4aj9A:
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 GLY A 147
ASP A 485
HIS A 358
ARG A 266
 None
CA  A 607 ( 4.3A)
CA  A 607 ( 4.5A)
None
 1.20A 4lajA-4avoA:
undetectable
4lajB-4avoA:
undetectable		 4lajA-4avoA:
20.77
4lajB-4avoA:
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.
4b7g CATALASE

(Corynebacterium
glutamicum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 142
ASP A 139
PRO A 331
ARG A 349
 HEM  A3000 (-3.9A)
None
None
HEM  A3000 (-3.5A)
 1.20A 4lajA-4b7gA:
undetectable
4lajB-4b7gA:
undetectable		 4lajA-4b7gA:
20.75
4lajB-4b7gA:
20.75
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.
4b7g CATALASE

(Corynebacterium
glutamicum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 211
ASP A 139
PRO A 331
ARG A 349
 None
None
None
HEM  A3000 (-3.5A)
 1.06A 4lajA-4b7gA:
undetectable
4lajB-4b7gA:
undetectable		 4lajA-4b7gA:
20.75
4lajB-4b7gA:
20.75
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 GLY A 157
ASP A 150
HIS A 414
ARG A 175
 None
MG  A1640 ( 4.2A)
None
None
 1.24A 4lajA-4cgyA:
undetectable
4lajB-4cgyA:
undetectable		 4lajA-4cgyA:
19.56
4lajB-4cgyA:
19.56
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLY A  49
ASP A 284
PRO A 319
ARG A  82
 LLP  A  51 ( 4.2A)
LLP  A  51 ( 4.7A)
None
None
 1.25A 4lajA-4d8uA:
undetectable
4lajB-4d8uA:
undetectable		 4lajA-4d8uA:
20.30
4lajB-4d8uA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 GLY A 428
ASP A 435
PRO A 437
HIS A 341
 None
 1.18A 4lajA-4dqvA:
undetectable
4lajB-4dqvA:
undetectable		 4lajA-4dqvA:
21.30
4lajB-4dqvA:
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.
4e37 CATALASE

(Pseudomonas
aeruginosa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 127
ASP A 124
PRO A 316
ARG A 334
 HEM  A 500 (-3.8A)
None
None
HEM  A 500 (-3.5A)
 1.08A 4lajA-4e37A:
undetectable
4lajB-4e37A:
undetectable		 4lajA-4e37A:
19.69
4lajB-4e37A:
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.
4e37 CATALASE

(Pseudomonas
aeruginosa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 196
ASP A 124
PRO A 316
ARG A 334
 None
None
None
HEM  A 500 (-3.5A)
 0.96A 4lajA-4e37A:
undetectable
4lajB-4e37A:
undetectable		 4lajA-4e37A:
19.69
4lajB-4e37A:
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.
4grg ANTI-IGE INHIBITOR
E2_79

(Escherichia
coli) 		PF12796
(Ank_2) 		4 GLY A  15
ASP A  44
PRO A  50
HIS A  52
 None
 1.22A 4lajA-4grgA:
undetectable
4lajB-4grgA:
undetectable		 4lajA-4grgA:
15.41
4lajB-4grgA:
15.41
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.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		4 GLY A  94
ASP A   8
PRO A  15
HIS A  56
 None
 1.26A 4lajA-4jciA:
undetectable
4lajB-4jciA:
undetectable		 4lajA-4jciA:
21.01
4lajB-4jciA:
21.01
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.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 ARG A  73
GLY A  71
ASP A  75
ARG A  81
 None
 0.77A 4lajA-4jxcA:
undetectable
4lajB-4jxcA:
undetectable		 4lajA-4jxcA:
19.70
4lajB-4jxcA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kt6 NICOTINE ADENINE
DINUCLEOTIDE
GLYCOHYDROLASE

(Streptococcus
pyogenes) 		PF07461
(NADase_NGA) 		4 GLY A 357
ASP A 430
PRO A 427
ARG A 360
 None
 1.17A 4lajA-4kt6A:
undetectable
4lajB-4kt6A:
undetectable		 4lajA-4kt6A:
20.00
4lajB-4kt6A:
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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		4 GLY A 123
PRO A 120
HIS A 238
ARG A  98
 None
 1.01A 4lajA-4l0cA:
undetectable
4lajB-4l0cA:
undetectable		 4lajA-4l0cA:
20.05
4lajB-4l0cA:
20.05
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.
4lab RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		4 ARG A 108
GLY A 107
ASP A 110
ARG A 212
 None
PT  A 302 (-3.3A)
None
None
 1.25A 4lajA-4labA:
undetectable
4lajB-4labA:
undetectable		 4lajA-4labA:
22.43
4lajB-4labA:
22.43
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 ARG A  20
GLY A  40
ASP A  17
ARG A  24
 None
 1.18A 4lajA-4ng3A:
undetectable
4lajB-4ng3A:
undetectable		 4lajA-4ng3A:
21.25
4lajB-4ng3A:
21.25
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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 129
ASP A 126
PRO A 318
ARG A 336
 HEM  A 501 ( 3.8A)
None
None
HEM  A 501 ( 3.4A)
 1.07A 4lajA-4qorA:
undetectable
4lajB-4qorA:
undetectable		 4lajA-4qorA:
21.04
4lajB-4qorA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A 198
ASP A 126
PRO A 318
ARG A 336
 None
None
None
HEM  A 501 ( 3.4A)
 0.96A 4lajA-4qorA:
undetectable
4lajB-4qorA:
undetectable		 4lajA-4qorA:
21.04
4lajB-4qorA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r4h HIV-1 ENV GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP A  57
PRO A 214
HIS A 216
ARG A 252
 None
None
None
NAG  A 601 ( 4.9A)
 0.69A 4lajA-4r4hA:
47.6
4lajB-4r4hA:
19.8		 4lajA-4r4hA:
75.18
4lajB-4r4hA:
75.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r4n HIV-1 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP A  57
PRO A 214
HIS A 216
ARG A 252
 None
None
None
NAG  A 501 (-3.1A)
 0.55A 4lajA-4r4nA:
45.5
4lajB-4r4nA:
45.6		 4lajA-4r4nA:
75.20
4lajB-4r4nA:
75.20
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		4 ARG A 403
GLY A 404
ASP A 396
PRO A 353
 None
 0.64A 4lajA-4wvaA:
undetectable
4lajB-4wvaA:
undetectable		 4lajA-4wvaA:
17.66
4lajB-4wvaA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xvs DONOR 45 01DG5 COREE
GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ASP G  57
PRO G 214
HIS G 216
ARG G 252
 None
None
None
NAG  G 605 (-3.9A)
 0.60A 4lajA-4xvsG:
49.9
4lajB-4xvsG:
50.4		 4lajA-4xvsG:
89.14
4lajB-4xvsG:
89.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ARG A1258
GLY A1456
PRO A1388
ARG A1396
 None
 1.21A 4lajA-5a22A:
undetectable
4lajB-5a22A:
undetectable		 4lajA-5a22A:
10.87
4lajB-5a22A:
10.87
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 ARG A 319
GLY A 318
ASP A 185
ARG A 260
 None
 1.20A 4lajA-5ah0A:
undetectable
4lajB-5ah0A:
undetectable		 4lajA-5ah0A:
21.91
4lajB-5ah0A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cbk SHHTL5

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		4 ARG A 123
GLY A 132
ASP A 197
PRO A 122
 None
 1.09A 4lajA-5cbkA:
undetectable
4lajB-5cbkA:
undetectable		 4lajA-5cbkA:
20.69
4lajB-5cbkA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		4 ARG A 123
GLY A 132
ASP A 197
PRO A 122
 None
 1.08A 4lajA-5dnwA:
undetectable
4lajB-5dnwA:
undetectable		 4lajA-5dnwA:
22.48
4lajB-5dnwA:
22.48
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 GLY A 355
ASP A  66
PRO A  73
HIS A  87
 None
 0.78A 4lajA-5egeA:
undetectable
4lajB-5egeA:
undetectable		 4lajA-5egeA:
21.55
4lajB-5egeA:
21.55
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.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis) 		PF00067
(p450) 		4 ARG A  69
GLY A  78
ASP A  89
HIS A 340
 None
None
None
HEM  A 401 (-3.8A)
 1.24A 4lajA-5ex8A:
undetectable
4lajB-5ex8A:
undetectable		 4lajA-5ex8A:
21.06
4lajB-5ex8A:
21.06
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.
5fqd CASEIN KINASE I
ISOFORM ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG C 201
GLY C 265
PRO C 272
HIS C 128
 None
 1.05A 4lajA-5fqdC:
undetectable
4lajB-5fqdC:
undetectable		 4lajA-5fqdC:
19.90
4lajB-5fqdC:
19.90
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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Rattus
norvegicus) 		PF12796
(Ank_2)
PF16511
(FERM_f0) 		4 ARG A 179
GLY A 183
ASP A 177
HIS A 175
 EDO  A1377 ( 4.2A)
None
EDO  A1357 (-2.8A)
EDO  A1357 (-4.0A)
 1.16A 4lajA-5g4xA:
undetectable
4lajB-5g4xA:
undetectable		 4lajA-5g4xA:
22.79
4lajB-5g4xA:
22.79
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 ARG A  33
GLY A 379
ASP A 704
HIS A 708
 U  C   6 ( 3.8A)
None
None
None
 1.22A 4lajA-5h1kA:
undetectable
4lajB-5h1kA:
undetectable		 4lajA-5h1kA:
21.47
4lajB-5h1kA:
21.47
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		4 ARG A 125
GLY A 135
ASP A 198
PRO A 124
 None
 1.01A 4lajA-5hzgA:
undetectable
4lajB-5hzgA:
undetectable		 4lajA-5hzgA:
20.68
4lajB-5hzgA:
20.68
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		no annotation 4 ARG C  68
GLY C  67
ASP C  46
HIS C  26
 None
 1.01A 4lajA-5jnfC:
undetectable
4lajB-5jnfC:
undetectable		 4lajA-5jnfC:
22.26
4lajB-5jnfC:
22.26
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.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 ARG A 508
GLY A 507
PRO A 545
HIS A 576
 CYC  A 701 ( 3.7A)
None
None
None
 0.81A 4lajA-5m85A:
undetectable
4lajB-5m85A:
undetectable		 4lajA-5m85A:
10.34
4lajB-5m85A:
10.34
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 177
ASP A 257
PRO A 446
ARG A 491
 None
 1.16A 4lajA-5nccA:
undetectable
4lajB-5nccA:
undetectable		 4lajA-5nccA:
21.67
4lajB-5nccA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t33 RHPA GP120 CORE

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		4 ASP G  57
PRO G 214
HIS G 216
ARG G 252
 None
None
None
NAG  G1448 (-3.2A)
 0.96A 4lajA-5t33G:
44.7
4lajB-5t33G:
44.9		 4lajA-5t33G:
85.56
4lajB-5t33G:
85.56
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 ARG A 266
GLY A 348
ASP A 189
PRO A 263
 None
 1.12A 4lajA-5ydjA:
undetectable
4lajB-5ydjA:
undetectable		 4lajA-5ydjA:
11.78
4lajB-5ydjA:
11.78
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 4 GLY A 154
ASP A 151
PRO A 347
ARG A 365
 HEM  A 704 (-3.9A)
None
None
HEM  A 704 (-3.5A)
 1.15A 4lajA-5yemA:
undetectable
4lajB-5yemA:
undetectable		 4lajA-5yemA:
undetectable
4lajB-5yemA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 4 GLY A 227
ASP A 151
PRO A 347
ARG A 365
 None
None
None
HEM  A 704 (-3.5A)
 0.94A 4lajA-5yemA:
undetectable
4lajB-5yemA:
undetectable		 4lajA-5yemA:
undetectable
4lajB-5yemA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z95 -

(-) 		no annotation 4 ARG A 123
GLY A 132
ASP A 197
PRO A 122
 None
 1.02A 4lajA-5z95A:
undetectable
4lajB-5z95A:
undetectable		 4lajA-5z95A:
undetectable
4lajB-5z95A:
undetectable