SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z91_F_4LEF401

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.
1c20 DEAD RINGER PROTEIN

(Drosophila
melanogaster) 		PF01388
(ARID) 		4 LEU A  87
THR A  97
LEU A  98
THR A  92
 None
 0.77A 4z91F-1c20A:
undetectable
4z91G-1c20A:
undetectable
4z91H-1c20A:
undetectable
4z91I-1c20A:
undetectable
4z91J-1c20A:
undetectable		 4z91F-1c20A:
19.46
4z91G-1c20A:
19.46
4z91H-1c20A:
19.46
4z91I-1c20A:
19.46
4z91J-1c20A:
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.
1del DEOXYNUCLEOSIDE
MONOPHOSPHATE KINASE

(Escherichia
virus T4) 		no annotation 4 LEU A   6
THR A 191
THR A 237
LEU A 238
 None
 0.80A 4z91F-1delA:
0.0
4z91G-1delA:
0.0
4z91H-1delA:
0.0
4z91I-1delA:
0.0
4z91J-1delA:
0.0		 4z91F-1delA:
20.62
4z91G-1delA:
20.62
4z91H-1delA:
20.62
4z91I-1delA:
20.62
4z91J-1delA:
20.62
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.
1di6 MOLYBDENUM COFACTOR
BIOSYNTHETIC ENZYME

(Escherichia
coli) 		PF00994
(MoCF_biosynth) 		4 THR A  76
THR A  88
LEU A  89
THR A  84
 SO4  A 201 (-2.8A)
None
None
None
 0.93A 4z91F-1di6A:
0.0
4z91G-1di6A:
0.0
4z91H-1di6A:
0.0
4z91I-1di6A:
0.0
4z91J-1di6A:
0.0		 4z91F-1di6A:
18.67
4z91G-1di6A:
18.67
4z91H-1di6A:
18.67
4z91I-1di6A:
18.67
4z91J-1di6A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dk5 ANNEXIN 24(CA32)

(Capsicum annuum) 		PF00191
(Annexin) 		4 LEU A 256
THR A 265
THR A 305
LEU A 313
 None
 0.95A 4z91F-1dk5A:
0.2
4z91G-1dk5A:
0.2
4z91H-1dk5A:
0.3
4z91I-1dk5A:
0.0
4z91J-1dk5A:
0.3		 4z91F-1dk5A:
23.63
4z91G-1dk5A:
23.63
4z91H-1dk5A:
23.63
4z91I-1dk5A:
23.63
4z91J-1dk5A:
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.
1g5g FUSION PROTEIN

(Avian
avulavirus 1) 		PF00523
(Fusion_gly) 		4 THR A  87
LEU A  88
THR A 218
LEU A 217
 None
 0.90A 4z91F-1g5gA:
0.0
4z91G-1g5gA:
0.0
4z91H-1g5gA:
0.0
4z91I-1g5gA:
0.0
4z91J-1g5gA:
0.0		 4z91F-1g5gA:
21.98
4z91G-1g5gA:
21.98
4z91H-1g5gA:
21.98
4z91I-1g5gA:
21.98
4z91J-1g5gA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 THR A 128
THR A 208
LEU A 209
THR A 204
 None
 0.89A 4z91F-1ig0A:
0.0
4z91G-1ig0A:
0.0
4z91H-1ig0A:
0.0
4z91I-1ig0A:
0.0
4z91J-1ig0A:
0.0		 4z91F-1ig0A:
22.02
4z91G-1ig0A:
22.02
4z91H-1ig0A:
22.02
4z91I-1ig0A:
22.02
4z91J-1ig0A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 THR A 208
LEU A 209
THR A 204
THR A 128
 None
 0.88A 4z91F-1ig0A:
0.0
4z91G-1ig0A:
0.0
4z91H-1ig0A:
0.0
4z91I-1ig0A:
0.0
4z91J-1ig0A:
0.0		 4z91F-1ig0A:
22.02
4z91G-1ig0A:
22.02
4z91H-1ig0A:
22.02
4z91I-1ig0A:
22.02
4z91J-1ig0A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		4 LEU A 109
THR A 143
THR A 139
LEU A 140
 None
 0.92A 4z91F-1n0wA:
0.0
4z91G-1n0wA:
0.0
4z91H-1n0wA:
0.0
4z91I-1n0wA:
0.0
4z91J-1n0wA:
0.0		 4z91F-1n0wA:
22.29
4z91G-1n0wA:
22.29
4z91H-1n0wA:
22.29
4z91I-1n0wA:
22.29
4z91J-1n0wA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 THR A 176
THR A 173
THR A 282
THR A 145
 None
None
None
SO4  A 350 (-3.5A)
 0.91A 4z91F-1pznA:
undetectable
4z91G-1pznA:
undetectable
4z91H-1pznA:
undetectable
4z91I-1pznA:
undetectable
4z91J-1pznA:
undetectable		 4z91F-1pznA:
21.45
4z91G-1pznA:
21.45
4z91H-1pznA:
21.45
4z91I-1pznA:
21.45
4z91J-1pznA:
21.45
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 THR A 282
THR A 145
THR A 176
THR A 173
 None
SO4  A 350 (-3.5A)
None
None
 0.91A 4z91F-1pznA:
undetectable
4z91G-1pznA:
undetectable
4z91H-1pznA:
undetectable
4z91I-1pznA:
undetectable
4z91J-1pznA:
undetectable		 4z91F-1pznA:
21.45
4z91G-1pznA:
21.45
4z91H-1pznA:
21.45
4z91I-1pznA:
21.45
4z91J-1pznA:
21.45
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.
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		4 LEU A 136
THR A  72
THR A  78
LEU A  81
 None
 0.85A 4z91F-1q44A:
undetectable
4z91G-1q44A:
undetectable
4z91H-1q44A:
undetectable
4z91I-1q44A:
undetectable
4z91J-1q44A:
undetectable		 4z91F-1q44A:
20.11
4z91G-1q44A:
20.11
4z91H-1q44A:
20.11
4z91I-1q44A:
20.11
4z91J-1q44A:
20.11
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 THR A 405
THR A 407
THR A 425
LEU A 426
 NAG  A 808 ( 4.5A)
NAG  A 808 (-2.2A)
NDG  A 811 (-2.2A)
None
 0.96A 4z91F-1q5aA:
undetectable
4z91G-1q5aA:
undetectable
4z91H-1q5aA:
undetectable
4z91I-1q5aA:
undetectable
4z91J-1q5aA:
undetectable		 4z91F-1q5aA:
16.50
4z91G-1q5aA:
16.50
4z91H-1q5aA:
16.50
4z91I-1q5aA:
16.50
4z91J-1q5aA:
16.50
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 THR H 196
LEU H  13
THR H 210
LEU H 213
 None
 0.87A 4z91F-1q5rH:
undetectable
4z91G-1q5rH:
undetectable
4z91H-1q5rH:
undetectable
4z91I-1q5rH:
undetectable
4z91J-1q5rH:
undetectable		 4z91F-1q5rH:
19.78
4z91G-1q5rH:
19.78
4z91H-1q5rH:
19.78
4z91I-1q5rH:
19.78
4z91J-1q5rH:
19.78
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.
1qo4 PEROXIDASE

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 THR A 159
LEU A 162
THR A 252
THR A 149
 None
 0.84A 4z91F-1qo4A:
undetectable
4z91G-1qo4A:
undetectable
4z91H-1qo4A:
undetectable
4z91I-1qo4A:
undetectable
4z91J-1qo4A:
undetectable		 4z91F-1qo4A:
19.46
4z91G-1qo4A:
19.46
4z91H-1qo4A:
19.46
4z91I-1qo4A:
19.46
4z91J-1qo4A:
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.
1qo4 PEROXIDASE

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 THR A 252
THR A 149
THR A 159
LEU A 162
 None
 0.91A 4z91F-1qo4A:
undetectable
4z91G-1qo4A:
undetectable
4z91H-1qo4A:
undetectable
4z91I-1qo4A:
undetectable
4z91J-1qo4A:
undetectable		 4z91F-1qo4A:
19.46
4z91G-1qo4A:
19.46
4z91H-1qo4A:
19.46
4z91I-1qo4A:
19.46
4z91J-1qo4A:
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.
1xco PHOSPHATE
ACETYLTRANSFERASE

(Bacillus
subtilis) 		PF01515
(PTA_PTB) 		4 THR A 129
THR A 149
LEU A 137
THR A 132
 UVW  A 418 (-4.1A)
None
None
None
 0.89A 4z91F-1xcoA:
undetectable
4z91G-1xcoA:
undetectable
4z91H-1xcoA:
undetectable
4z91I-1xcoA:
undetectable
4z91J-1xcoA:
undetectable		 4z91F-1xcoA:
21.20
4z91G-1xcoA:
21.20
4z91H-1xcoA:
21.20
4z91I-1xcoA:
21.20
4z91J-1xcoA:
21.20
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.
2gau TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY

(Porphyromonas
gingivalis) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A 157
THR A 228
LEU A 210
THR A 200
 None
 0.80A 4z91F-2gauA:
undetectable
4z91G-2gauA:
undetectable
4z91H-2gauA:
undetectable
4z91I-2gauA:
undetectable
4z91J-2gauA:
undetectable		 4z91F-2gauA:
21.74
4z91G-2gauA:
21.74
4z91H-2gauA:
21.74
4z91I-2gauA:
21.74
4z91J-2gauA:
21.74
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.
2gau TRANSCRIPTIONAL
REGULATOR, CRP/FNR
FAMILY

(Porphyromonas
gingivalis) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 LEU A 225
THR A 200
LEU A 157
THR A 228
 None
 0.93A 4z91F-2gauA:
undetectable
4z91G-2gauA:
undetectable
4z91H-2gauA:
undetectable
4z91I-2gauA:
undetectable
4z91J-2gauA:
undetectable		 4z91F-2gauA:
21.74
4z91G-2gauA:
21.74
4z91H-2gauA:
21.74
4z91I-2gauA:
21.74
4z91J-2gauA:
21.74
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A  64
THR A  30
LEU A  34
THR A  26
 None
 0.85A 4z91F-2gp6A:
undetectable
4z91G-2gp6A:
undetectable
4z91H-2gp6A:
undetectable
4z91I-2gp6A:
undetectable
4z91J-2gp6A:
undetectable		 4z91F-2gp6A:
20.69
4z91G-2gp6A:
20.69
4z91H-2gp6A:
20.69
4z91I-2gp6A:
20.69
4z91J-2gp6A:
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.
2iab HYPOTHETICAL PROTEIN

(Streptomyces
avermitilis) 		PF01243
(Putative_PNPOx) 		4 THR A  62
LEU A  66
LEU A  74
THR A  30
 None
 0.82A 4z91F-2iabA:
undetectable
4z91G-2iabA:
undetectable
4z91H-2iabA:
undetectable
4z91I-2iabA:
undetectable
4z91J-2iabA:
undetectable		 4z91F-2iabA:
17.73
4z91G-2iabA:
17.73
4z91H-2iabA:
17.73
4z91I-2iabA:
17.73
4z91J-2iabA:
17.73
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.
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K

(Homo sapiens) 		PF00481
(PP2C) 		4 THR A 296
LEU A 295
THR A 223
LEU A 222
 None
 0.89A 4z91F-2iq1A:
undetectable
4z91G-2iq1A:
undetectable
4z91H-2iq1A:
undetectable
4z91I-2iq1A:
undetectable
4z91J-2iq1A:
undetectable		 4z91F-2iq1A:
20.30
4z91G-2iq1A:
20.30
4z91H-2iq1A:
20.30
4z91I-2iq1A:
20.30
4z91J-2iq1A:
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 THR A 369
LEU A 370
THR A 353
THR A 383
 None
 0.96A 4z91F-2jgdA:
undetectable
4z91G-2jgdA:
undetectable
4z91H-2jgdA:
undetectable
4z91I-2jgdA:
undetectable
4z91J-2jgdA:
undetectable		 4z91F-2jgdA:
16.22
4z91G-2jgdA:
16.22
4z91H-2jgdA:
16.22
4z91I-2jgdA:
16.22
4z91J-2jgdA:
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 THR A  20
LEU A  80
THR A  26
LEU A  56
 None
 0.87A 4z91F-2la7A:
undetectable
4z91G-2la7A:
undetectable
4z91H-2la7A:
undetectable
4z91I-2la7A:
undetectable
4z91J-2la7A:
undetectable		 4z91F-2la7A:
17.70
4z91G-2la7A:
17.70
4z91H-2la7A:
17.70
4z91I-2la7A:
17.70
4z91J-2la7A:
17.70
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.
2na0 GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 1

(Bos taurus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		4 THR A 169
LEU A 170
THR A 136
LEU A 112
 None
 0.92A 4z91F-2na0A:
undetectable
4z91G-2na0A:
undetectable
4z91H-2na0A:
undetectable
4z91I-2na0A:
undetectable
4z91J-2na0A:
undetectable		 4z91F-2na0A:
20.06
4z91G-2na0A:
20.06
4z91H-2na0A:
20.06
4z91I-2na0A:
20.06
4z91J-2na0A:
20.06
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 LEU A 102
THR A 170
THR A 113
LEU A 117
 None
 0.96A 4z91F-2oi6A:
undetectable
4z91G-2oi6A:
undetectable
4z91H-2oi6A:
undetectable
4z91I-2oi6A:
undetectable
4z91J-2oi6A:
undetectable		 4z91F-2oi6A:
22.32
4z91G-2oi6A:
22.32
4z91H-2oi6A:
22.32
4z91I-2oi6A:
22.32
4z91J-2oi6A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		4 LEU A 116
THR A 155
THR A   5
LEU A  15
 None
 0.96A 4z91F-2oqcA:
undetectable
4z91G-2oqcA:
undetectable
4z91H-2oqcA:
undetectable
4z91I-2oqcA:
undetectable
4z91J-2oqcA:
undetectable		 4z91F-2oqcA:
22.74
4z91G-2oqcA:
22.74
4z91H-2oqcA:
22.74
4z91I-2oqcA:
22.74
4z91J-2oqcA:
22.74
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		4 THR A 334
LEU A 335
THR A 330
LEU A 261
 None
 0.91A 4z91F-2pziA:
1.7
4z91G-2pziA:
1.8
4z91H-2pziA:
0.5
4z91I-2pziA:
1.9
4z91J-2pziA:
0.5		 4z91F-2pziA:
18.13
4z91G-2pziA:
18.13
4z91H-2pziA:
18.13
4z91I-2pziA:
18.13
4z91J-2pziA:
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.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		4 LEU A 279
THR A 273
THR A 244
THR A 210
 None
 0.96A 4z91F-2r1fA:
undetectable
4z91G-2r1fA:
undetectable
4z91H-2r1fA:
undetectable
4z91I-2r1fA:
undetectable
4z91J-2r1fA:
undetectable		 4z91F-2r1fA:
20.61
4z91G-2r1fA:
20.61
4z91H-2r1fA:
20.61
4z91I-2r1fA:
20.61
4z91J-2r1fA:
20.61
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.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		4 THR A 136
LEU A 137
THR A 173
LEU A 149
 None
 0.81A 4z91F-2r1fA:
undetectable
4z91G-2r1fA:
undetectable
4z91H-2r1fA:
undetectable
4z91I-2r1fA:
undetectable
4z91J-2r1fA:
undetectable		 4z91F-2r1fA:
20.61
4z91G-2r1fA:
20.61
4z91H-2r1fA:
20.61
4z91I-2r1fA:
20.61
4z91J-2r1fA:
20.61
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.
2ran ANNEXIN V

(Rattus
norvegicus) 		PF00191
(Annexin) 		4 LEU A  94
THR A 103
THR A 143
LEU A 151
 None
CA  A 322 (-3.9A)
None
None
 0.78A 4z91F-2ranA:
undetectable
4z91G-2ranA:
undetectable
4z91H-2ranA:
undetectable
4z91I-2ranA:
undetectable
4z91J-2ranA:
undetectable		 4z91F-2ranA:
21.13
4z91G-2ranA:
21.13
4z91H-2ranA:
21.13
4z91I-2ranA:
21.13
4z91J-2ranA:
21.13
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.
2rdg SUPERANTIGEN-LIKE
PROTEIN 11

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		4 THR A 119
LEU A 103
THR A 117
LEU A 141
 None
 0.82A 4z91F-2rdgA:
undetectable
4z91G-2rdgA:
undetectable
4z91H-2rdgA:
undetectable
4z91I-2rdgA:
undetectable
4z91J-2rdgA:
undetectable		 4z91F-2rdgA:
19.45
4z91G-2rdgA:
19.45
4z91H-2rdgA:
19.45
4z91I-2rdgA:
19.45
4z91J-2rdgA:
19.45
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.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 THR A  58
LEU A  59
LEU A  62
THR A  20
 None
 0.89A 4z91F-2rikA:
undetectable
4z91G-2rikA:
undetectable
4z91H-2rikA:
undetectable
4z91I-2rikA:
undetectable
4z91J-2rikA:
undetectable		 4z91F-2rikA:
22.71
4z91G-2rikA:
22.71
4z91H-2rikA:
22.71
4z91I-2rikA:
22.71
4z91J-2rikA:
22.71
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 LEU A 218
THR A 163
THR A 199
LEU A 202
 None
 0.87A 4z91F-2varA:
undetectable
4z91G-2varA:
undetectable
4z91H-2varA:
undetectable
4z91I-2varA:
undetectable
4z91J-2varA:
undetectable		 4z91F-2varA:
19.47
4z91G-2varA:
19.47
4z91H-2varA:
19.47
4z91I-2varA:
19.47
4z91J-2varA:
19.47
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 LEU A 395
THR A 370
THR A 214
LEU A 218
THR A 141
 None
 1.49A 4z91F-2vg8A:
undetectable
4z91G-2vg8A:
undetectable
4z91H-2vg8A:
undetectable
4z91I-2vg8A:
undetectable
4z91J-2vg8A:
undetectable		 4z91F-2vg8A:
20.65
4z91G-2vg8A:
20.65
4z91H-2vg8A:
20.65
4z91I-2vg8A:
20.65
4z91J-2vg8A:
20.65
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.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU A 377
THR A 411
LEU A 412
THR A 408
 None
 0.96A 4z91F-2z7xA:
undetectable
4z91G-2z7xA:
undetectable
4z91H-2z7xA:
undetectable
4z91I-2z7xA:
undetectable
4z91J-2z7xA:
undetectable		 4z91F-2z7xA:
20.11
4z91G-2z7xA:
20.11
4z91H-2z7xA:
20.11
4z91I-2z7xA:
20.11
4z91J-2z7xA:
20.11
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.
2zuc DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Sulfolobus
solfataricus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 THR A 152
THR A 149
THR A 254
THR A 121
 None
 0.91A 4z91F-2zucA:
1.7
4z91G-2zucA:
undetectable
4z91H-2zucA:
1.6
4z91I-2zucA:
1.6
4z91J-2zucA:
undetectable		 4z91F-2zucA:
23.46
4z91G-2zucA:
23.46
4z91H-2zucA:
23.46
4z91I-2zucA:
23.46
4z91J-2zucA:
23.46
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.
2zuc DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Sulfolobus
solfataricus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 THR A 254
THR A 121
THR A 152
THR A 149
 None
 0.91A 4z91F-2zucA:
1.7
4z91G-2zucA:
undetectable
4z91H-2zucA:
1.6
4z91I-2zucA:
1.6
4z91J-2zucA:
undetectable		 4z91F-2zucA:
23.46
4z91G-2zucA:
23.46
4z91H-2zucA:
23.46
4z91I-2zucA:
23.46
4z91J-2zucA:
23.46
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.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		4 THR A 206
LEU A 207
THR A 235
LEU A 291
 None
 0.94A 4z91F-3b1eA:
undetectable
4z91G-3b1eA:
undetectable
4z91H-3b1eA:
undetectable
4z91I-3b1eA:
undetectable
4z91J-3b1eA:
undetectable		 4z91F-3b1eA:
21.84
4z91G-3b1eA:
21.84
4z91H-3b1eA:
21.84
4z91I-3b1eA:
21.84
4z91J-3b1eA:
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.
3b43 TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 THR A 250
LEU A 251
LEU A 254
THR A 212
 None
 0.96A 4z91F-3b43A:
undetectable
4z91G-3b43A:
undetectable
4z91H-3b43A:
undetectable
4z91I-3b43A:
undetectable
4z91J-3b43A:
undetectable		 4z91F-3b43A:
19.61
4z91G-3b43A:
19.61
4z91H-3b43A:
19.61
4z91I-3b43A:
19.61
4z91J-3b43A:
19.61
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 108
THR A 272
THR A 254
LEU A 251
THR A  85
 None
 1.35A 4z91F-3cgdA:
undetectable
4z91G-3cgdA:
undetectable
4z91H-3cgdA:
undetectable
4z91I-3cgdA:
undetectable
4z91J-3cgdA:
undetectable		 4z91F-3cgdA:
20.29
4z91G-3cgdA:
20.29
4z91H-3cgdA:
20.29
4z91I-3cgdA:
20.29
4z91J-3cgdA:
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.
3hpg INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 THR A 159
LEU A 160
THR A 184
THR A 163
 None
 0.96A 4z91F-3hpgA:
undetectable
4z91G-3hpgA:
undetectable
4z91H-3hpgA:
undetectable
4z91I-3hpgA:
undetectable
4z91J-3hpgA:
undetectable		 4z91F-3hpgA:
18.58
4z91G-3hpgA:
18.58
4z91H-3hpgA:
18.58
4z91I-3hpgA:
18.58
4z91J-3hpgA:
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.
3hpg INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 THR A 184
THR A 163
THR A 159
LEU A 160
 None
 0.90A 4z91F-3hpgA:
undetectable
4z91G-3hpgA:
undetectable
4z91H-3hpgA:
undetectable
4z91I-3hpgA:
undetectable
4z91J-3hpgA:
undetectable		 4z91F-3hpgA:
18.58
4z91G-3hpgA:
18.58
4z91H-3hpgA:
18.58
4z91I-3hpgA:
18.58
4z91J-3hpgA:
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.
3l4e UNCHARACTERIZED
PEPTIDASE LMO0363

(Listeria
monocytogenes) 		PF03575
(Peptidase_S51) 		4 THR A 125
LEU A 150
THR A  89
LEU A  92
 None
 0.82A 4z91F-3l4eA:
undetectable
4z91G-3l4eA:
undetectable
4z91H-3l4eA:
undetectable
4z91I-3l4eA:
undetectable
4z91J-3l4eA:
undetectable		 4z91F-3l4eA:
20.72
4z91G-3l4eA:
20.72
4z91H-3l4eA:
20.72
4z91I-3l4eA:
20.72
4z91J-3l4eA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 LEU A 167
THR A 201
THR A 197
LEU A 198
 None
 0.94A 4z91F-3ldaA:
undetectable
4z91G-3ldaA:
undetectable
4z91H-3ldaA:
undetectable
4z91I-3ldaA:
undetectable
4z91J-3ldaA:
undetectable		 4z91F-3ldaA:
22.75
4z91G-3ldaA:
22.75
4z91H-3ldaA:
22.75
4z91I-3ldaA:
22.75
4z91J-3ldaA:
22.75
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.
3ly9 TRANSCRIPTIONAL
ACTIVATOR CADC

(Escherichia
coli) 		no annotation 4 THR A 233
THR A 229
THR A 325
LEU A 326
 None
 0.89A 4z91F-3ly9A:
2.9
4z91G-3ly9A:
3.0
4z91H-3ly9A:
1.9
4z91I-3ly9A:
3.0
4z91J-3ly9A:
2.1		 4z91F-3ly9A:
21.13
4z91G-3ly9A:
21.13
4z91H-3ly9A:
21.13
4z91I-3ly9A:
21.13
4z91J-3ly9A:
21.13
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.
3ly9 TRANSCRIPTIONAL
ACTIVATOR CADC

(Escherichia
coli) 		no annotation 4 THR A 325
LEU A 326
THR A 233
THR A 229
 None
 0.88A 4z91F-3ly9A:
2.9
4z91G-3ly9A:
3.0
4z91H-3ly9A:
1.9
4z91I-3ly9A:
3.0
4z91J-3ly9A:
2.1		 4z91F-3ly9A:
21.13
4z91G-3ly9A:
21.13
4z91H-3ly9A:
21.13
4z91I-3ly9A:
21.13
4z91J-3ly9A:
21.13
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 THR A  84
LEU A  87
THR A 102
THR A  64
 None
 0.82A 4z91F-3mdeA:
3.2
4z91G-3mdeA:
3.1
4z91H-3mdeA:
2.4
4z91I-3mdeA:
2.4
4z91J-3mdeA:
3.2		 4z91F-3mdeA:
21.09
4z91G-3mdeA:
21.09
4z91H-3mdeA:
21.09
4z91I-3mdeA:
21.09
4z91J-3mdeA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 THR A 102
THR A  64
THR A  84
LEU A  87
 None
 0.77A 4z91F-3mdeA:
3.2
4z91G-3mdeA:
3.1
4z91H-3mdeA:
2.4
4z91I-3mdeA:
2.4
4z91J-3mdeA:
3.2		 4z91F-3mdeA:
21.09
4z91G-3mdeA:
21.09
4z91H-3mdeA:
21.09
4z91I-3mdeA:
21.09
4z91J-3mdeA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 LEU A 318
THR A 323
THR A 197
LEU A 310
 None
 0.83A 4z91F-3nv3A:
undetectable
4z91G-3nv3A:
undetectable
4z91H-3nv3A:
undetectable
4z91I-3nv3A:
undetectable
4z91J-3nv3A:
undetectable		 4z91F-3nv3A:
18.40
4z91G-3nv3A:
18.40
4z91H-3nv3A:
18.40
4z91I-3nv3A:
18.40
4z91J-3nv3A:
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.
3okz PUTATIVE
UNCHARACTERIZED
PROTEIN GBS0355

(Streptococcus
agalactiae) 		PF03816
(LytR_cpsA_psr) 		4 THR A 100
LEU A  87
THR A  98
LEU A 318
 None
 0.91A 4z91F-3okzA:
undetectable
4z91G-3okzA:
undetectable
4z91H-3okzA:
undetectable
4z91I-3okzA:
undetectable
4z91J-3okzA:
undetectable		 4z91F-3okzA:
20.82
4z91G-3okzA:
20.82
4z91H-3okzA:
20.82
4z91I-3okzA:
20.82
4z91J-3okzA:
20.82
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.
3onm TRANSCRIPTIONAL
REGULATOR LRHA

(Yersinia
pseudotuberculosis) 		PF03466
(LysR_substrate) 		4 THR A 109
LEU A 113
THR A 154
THR A 262
 None
 0.84A 4z91F-3onmA:
undetectable
4z91G-3onmA:
undetectable
4z91H-3onmA:
undetectable
4z91I-3onmA:
undetectable
4z91J-3onmA:
undetectable		 4z91F-3onmA:
18.73
4z91G-3onmA:
18.73
4z91H-3onmA:
18.73
4z91I-3onmA:
18.73
4z91J-3onmA:
18.73
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.
3onm TRANSCRIPTIONAL
REGULATOR LRHA

(Yersinia
pseudotuberculosis) 		PF03466
(LysR_substrate) 		4 THR A 262
THR A 109
LEU A 113
THR A 154
 None
 0.79A 4z91F-3onmA:
undetectable
4z91G-3onmA:
undetectable
4z91H-3onmA:
undetectable
4z91I-3onmA:
undetectable
4z91J-3onmA:
undetectable		 4z91F-3onmA:
18.73
4z91G-3onmA:
18.73
4z91H-3onmA:
18.73
4z91I-3onmA:
18.73
4z91J-3onmA:
18.73
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 THR A  41
THR A 120
LEU A 121
THR A 116
 None
 0.92A 4z91F-3pocA:
undetectable
4z91G-3pocA:
undetectable
4z91H-3pocA:
undetectable
4z91I-3pocA:
undetectable
4z91J-3pocA:
undetectable		 4z91F-3pocA:
19.28
4z91G-3pocA:
19.28
4z91H-3pocA:
19.28
4z91I-3pocA:
19.28
4z91J-3pocA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 THR A 256
THR A 260
LEU A 251
THR A 258
 None
 0.95A 4z91F-3v9fA:
undetectable
4z91G-3v9fA:
undetectable
4z91H-3v9fA:
undetectable
4z91I-3v9fA:
undetectable
4z91J-3v9fA:
undetectable		 4z91F-3v9fA:
18.21
4z91G-3v9fA:
18.21
4z91H-3v9fA:
18.21
4z91I-3v9fA:
18.21
4z91J-3v9fA:
18.21
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.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 LEU A 318
THR A 323
THR A 197
LEU A 310
 None
 0.72A 4z91F-3wv6A:
undetectable
4z91G-3wv6A:
undetectable
4z91H-3wv6A:
undetectable
4z91I-3wv6A:
undetectable
4z91J-3wv6A:
undetectable		 4z91F-3wv6A:
22.54
4z91G-3wv6A:
22.54
4z91H-3wv6A:
22.54
4z91I-3wv6A:
22.54
4z91J-3wv6A:
22.54
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.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		4 LEU A 180
THR A 135
THR A 114
LEU A 115
 None
 0.94A 4z91F-3wv7A:
undetectable
4z91G-3wv7A:
undetectable
4z91H-3wv7A:
undetectable
4z91I-3wv7A:
undetectable
4z91J-3wv7A:
undetectable		 4z91F-3wv7A:
23.10
4z91G-3wv7A:
23.10
4z91H-3wv7A:
23.10
4z91I-3wv7A:
23.10
4z91J-3wv7A:
23.10
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.
3x0f CD81 ANTIGEN

(Mus musculus) 		no annotation 4 LEU A 185
THR A 168
THR A 164
LEU A 165
 None
None
None
IPA  A 301 ( 3.4A)
 0.92A 4z91F-3x0fA:
undetectable
4z91G-3x0fA:
undetectable
4z91H-3x0fA:
undetectable
4z91I-3x0fA:
undetectable
4z91J-3x0fA:
undetectable		 4z91F-3x0fA:
13.64
4z91G-3x0fA:
13.64
4z91H-3x0fA:
13.64
4z91I-3x0fA:
13.64
4z91J-3x0fA:
13.64
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		4 THR A  29
LEU A  30
THR A  90
THR A  87
 None
 0.96A 4z91F-4a0wA:
undetectable
4z91G-4a0wA:
undetectable
4z91H-4a0wA:
undetectable
4z91I-4a0wA:
undetectable
4z91J-4a0wA:
undetectable		 4z91F-4a0wA:
20.68
4z91G-4a0wA:
20.68
4z91H-4a0wA:
20.68
4z91I-4a0wA:
20.68
4z91J-4a0wA:
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 THR A 161
LEU A 164
THR A 254
THR A 151
 None
 0.83A 4z91F-4a5gA:
undetectable
4z91G-4a5gA:
undetectable
4z91H-4a5gA:
undetectable
4z91I-4a5gA:
undetectable
4z91J-4a5gA:
1.3		 4z91F-4a5gA:
19.53
4z91G-4a5gA:
19.53
4z91H-4a5gA:
19.53
4z91I-4a5gA:
19.53
4z91J-4a5gA:
19.53
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 THR A 254
THR A 151
THR A 161
LEU A 164
 None
 0.90A 4z91F-4a5gA:
undetectable
4z91G-4a5gA:
undetectable
4z91H-4a5gA:
undetectable
4z91I-4a5gA:
undetectable
4z91J-4a5gA:
1.3		 4z91F-4a5gA:
19.53
4z91G-4a5gA:
19.53
4z91H-4a5gA:
19.53
4z91I-4a5gA:
19.53
4z91J-4a5gA:
19.53
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 THR A 469
LEU A 470
THR A 465
LEU A 518
 None
 0.96A 4z91F-4bx9A:
4.6
4z91G-4bx9A:
4.4
4z91H-4bx9A:
4.4
4z91I-4bx9A:
4.5
4z91J-4bx9A:
2.1		 4z91F-4bx9A:
20.92
4z91G-4bx9A:
20.92
4z91H-4bx9A:
20.92
4z91I-4bx9A:
20.92
4z91J-4bx9A:
20.92
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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL

(Homo sapiens) 		PF00481
(PP2C) 		4 THR A 296
LEU A 295
THR A 223
LEU A 222
 None
 0.87A 4z91F-4da1A:
undetectable
4z91G-4da1A:
undetectable
4z91H-4da1A:
undetectable
4z91I-4da1A:
undetectable
4z91J-4da1A:
undetectable		 4z91F-4da1A:
21.63
4z91G-4da1A:
21.63
4z91H-4da1A:
21.63
4z91I-4da1A:
21.63
4z91J-4da1A:
21.63
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.
4frw POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 4

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 LEU A 210
THR A 191
THR A 185
LEU A 221
 None
 0.96A 4z91F-4frwA:
undetectable
4z91G-4frwA:
3.4
4z91H-4frwA:
undetectable
4z91I-4frwA:
undetectable
4z91J-4frwA:
undetectable		 4z91F-4frwA:
23.23
4z91G-4frwA:
23.23
4z91H-4frwA:
23.23
4z91I-4frwA:
23.23
4z91J-4frwA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB
YENC2

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
no annotation 		4 LEU B  90
THR B 121
THR A1105
LEU A1109
 None
 0.88A 4z91F-4iglB:
undetectable
4z91G-4iglB:
undetectable
4z91H-4iglB:
undetectable
4z91I-4iglB:
undetectable
4z91J-4iglB:
undetectable		 4z91F-4iglB:
18.98
4z91G-4iglB:
18.98
4z91H-4iglB:
18.98
4z91I-4iglB:
18.98
4z91J-4iglB:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 THR A 348
LEU A 349
THR A 341
THR A 311
LEU A 313
 None
 1.19A 4z91F-4je5A:
undetectable
4z91G-4je5A:
undetectable
4z91H-4je5A:
undetectable
4z91I-4je5A:
undetectable
4z91J-4je5A:
undetectable		 4z91F-4je5A:
20.50
4z91G-4je5A:
20.50
4z91H-4je5A:
20.50
4z91I-4je5A:
20.50
4z91J-4je5A:
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.
4krt AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25)
PF08239
(SH3_3) 		4 LEU A 100
THR A 136
THR A 114
LEU A 113
 None
 0.96A 4z91F-4krtA:
undetectable
4z91G-4krtA:
undetectable
4z91H-4krtA:
undetectable
4z91I-4krtA:
undetectable
4z91J-4krtA:
undetectable		 4z91F-4krtA:
21.24
4z91G-4krtA:
21.24
4z91H-4krtA:
21.24
4z91I-4krtA:
21.24
4z91J-4krtA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		4 LEU A 100
THR A 136
THR A 114
LEU A 113
 None
 0.92A 4z91F-4kruA:
undetectable
4z91G-4kruA:
undetectable
4z91H-4kruA:
undetectable
4z91I-4kruA:
undetectable
4z91J-4kruA:
undetectable		 4z91F-4kruA:
20.71
4z91G-4kruA:
20.71
4z91H-4kruA:
20.71
4z91I-4kruA:
20.71
4z91J-4kruA:
20.71
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		4 LEU A  45
THR A  54
THR A  94
LEU A 102
 None
CA  A 401 ( 4.7A)
None
None
 0.96A 4z91F-4mdvA:
undetectable
4z91G-4mdvA:
undetectable
4z91H-4mdvA:
undetectable
4z91I-4mdvA:
undetectable
4z91J-4mdvA:
undetectable		 4z91F-4mdvA:
21.77
4z91G-4mdvA:
21.77
4z91H-4mdvA:
21.77
4z91I-4mdvA:
21.77
4z91J-4mdvA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 LEU A 202
THR A 226
THR A 251
LEU A 252
 None
 0.82A 4z91F-4nmwA:
undetectable
4z91G-4nmwA:
undetectable
4z91H-4nmwA:
undetectable
4z91I-4nmwA:
undetectable
4z91J-4nmwA:
undetectable		 4z91F-4nmwA:
21.45
4z91G-4nmwA:
21.45
4z91H-4nmwA:
21.45
4z91I-4nmwA:
21.45
4z91J-4nmwA:
21.45
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		4 THR A  74
LEU A  75
THR A  40
THR A  78
 None
 0.92A 4z91F-4oxxA:
undetectable
4z91G-4oxxA:
undetectable
4z91H-4oxxA:
undetectable
4z91I-4oxxA:
undetectable
4z91J-4oxxA:
undetectable		 4z91F-4oxxA:
20.06
4z91G-4oxxA:
20.06
4z91H-4oxxA:
20.06
4z91I-4oxxA:
20.06
4z91J-4oxxA:
20.06
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		4 THR A  78
THR A  74
LEU A  75
THR A  40
 None
 0.91A 4z91F-4oxxA:
undetectable
4z91G-4oxxA:
undetectable
4z91H-4oxxA:
undetectable
4z91I-4oxxA:
undetectable
4z91J-4oxxA:
undetectable		 4z91F-4oxxA:
20.06
4z91G-4oxxA:
20.06
4z91H-4oxxA:
20.06
4z91I-4oxxA:
20.06
4z91J-4oxxA:
20.06
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.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 THR A 495
LEU A 496
THR A 487
LEU A 481
 None
 0.80A 4z91F-4wkyA:
undetectable
4z91G-4wkyA:
undetectable
4z91H-4wkyA:
undetectable
4z91I-4wkyA:
undetectable
4z91J-4wkyA:
undetectable		 4z91F-4wkyA:
19.10
4z91G-4wkyA:
19.10
4z91H-4wkyA:
19.10
4z91I-4wkyA:
19.10
4z91J-4wkyA:
19.10
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.
4y0x SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16919
(PknG_rubred) 		4 THR A 334
LEU A 335
THR A 330
LEU A 261
 None
 0.90A 4z91F-4y0xA:
undetectable
4z91G-4y0xA:
undetectable
4z91H-4y0xA:
undetectable
4z91I-4y0xA:
undetectable
4z91J-4y0xA:
undetectable		 4z91F-4y0xA:
20.99
4z91G-4y0xA:
20.99
4z91H-4y0xA:
20.99
4z91I-4y0xA:
20.99
4z91J-4y0xA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 THR B 695
LEU B 696
THR B 691
LEU B 671
 None
 0.88A 4z91F-4zktB:
3.6
4z91G-4zktB:
3.5
4z91H-4zktB:
4.4
4z91I-4zktB:
3.5
4z91J-4zktB:
4.4		 4z91F-4zktB:
15.48
4z91G-4zktB:
15.48
4z91H-4zktB:
15.48
4z91I-4zktB:
15.48
4z91J-4zktB:
15.48
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		4 THR A  73
LEU A  76
THR A  98
LEU A 101
 None
None
UD1  A 502 (-4.2A)
None
 0.96A 4z91F-5dldA:
undetectable
4z91G-5dldA:
undetectable
4z91H-5dldA:
undetectable
4z91I-5dldA:
undetectable
4z91J-5dldA:
undetectable		 4z91F-5dldA:
22.83
4z91G-5dldA:
22.83
4z91H-5dldA:
22.83
4z91I-5dldA:
22.83
4z91J-5dldA:
22.83
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 THR A  12
LEU A  11
THR A 193
THR A  61
 None
 0.89A 4z91F-5du9A:
undetectable
4z91G-5du9A:
undetectable
4z91H-5du9A:
undetectable
4z91I-5du9A:
undetectable
4z91J-5du9A:
undetectable		 4z91F-5du9A:
20.86
4z91G-5du9A:
20.86
4z91H-5du9A:
20.86
4z91I-5du9A:
20.86
4z91J-5du9A:
20.86
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 THR A  61
THR A  12
LEU A  11
THR A 193
 None
 0.90A 4z91F-5du9A:
undetectable
4z91G-5du9A:
undetectable
4z91H-5du9A:
undetectable
4z91I-5du9A:
undetectable
4z91J-5du9A:
undetectable		 4z91F-5du9A:
20.86
4z91G-5du9A:
20.86
4z91H-5du9A:
20.86
4z91I-5du9A:
20.86
4z91J-5du9A:
20.86
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.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		4 THR A 206
LEU A 207
THR A 215
THR A 218
 None
 0.90A 4z91F-5eq6A:
undetectable
4z91G-5eq6A:
undetectable
4z91H-5eq6A:
undetectable
4z91I-5eq6A:
undetectable
4z91J-5eq6A:
undetectable		 4z91F-5eq6A:
20.95
4z91G-5eq6A:
20.95
4z91H-5eq6A:
20.95
4z91I-5eq6A:
20.95
4z91J-5eq6A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		4 THR A 215
THR A 218
THR A 206
LEU A 207
 None
 0.91A 4z91F-5eq6A:
undetectable
4z91G-5eq6A:
undetectable
4z91H-5eq6A:
undetectable
4z91I-5eq6A:
undetectable
4z91J-5eq6A:
undetectable		 4z91F-5eq6A:
20.95
4z91G-5eq6A:
20.95
4z91H-5eq6A:
20.95
4z91I-5eq6A:
20.95
4z91J-5eq6A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 THR A 274
LEU A 277
THR A 646
LEU A 556
 None
 0.96A 4z91F-5f7sA:
1.5
4z91G-5f7sA:
1.4
4z91H-5f7sA:
1.4
4z91I-5f7sA:
1.5
4z91J-5f7sA:
1.5		 4z91F-5f7sA:
18.04
4z91G-5f7sA:
18.04
4z91H-5f7sA:
18.04
4z91I-5f7sA:
18.04
4z91J-5f7sA:
18.04
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.
5h6j PIERISIN-1

(Pieris rapae) 		no annotation 4 LEU A  53
THR A  56
THR A 118
LEU A  68
 None
 0.93A 4z91F-5h6jA:
undetectable
4z91G-5h6jA:
undetectable
4z91H-5h6jA:
undetectable
4z91I-5h6jA:
undetectable
4z91J-5h6jA:
undetectable		 4z91F-5h6jA:
21.21
4z91G-5h6jA:
21.21
4z91H-5h6jA:
21.21
4z91I-5h6jA:
21.21
4z91J-5h6jA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 157
LEU A 161
THR A 216
THR A 248
 None
 0.89A 4z91F-5j9gA:
undetectable
4z91G-5j9gA:
undetectable
4z91H-5j9gA:
undetectable
4z91I-5j9gA:
undetectable
4z91J-5j9gA:
undetectable		 4z91F-5j9gA:
21.29
4z91G-5j9gA:
21.29
4z91H-5j9gA:
21.29
4z91I-5j9gA:
21.29
4z91J-5j9gA:
21.29
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 248
THR A 157
LEU A 161
THR A 216
 None
 0.95A 4z91F-5j9gA:
undetectable
4z91G-5j9gA:
undetectable
4z91H-5j9gA:
undetectable
4z91I-5j9gA:
undetectable
4z91J-5j9gA:
undetectable		 4z91F-5j9gA:
21.29
4z91G-5j9gA:
21.29
4z91H-5j9gA:
21.29
4z91I-5j9gA:
21.29
4z91J-5j9gA:
21.29
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.
5jp5 GALECTIN-5

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		4 LEU A 140
THR A 145
THR A  19
LEU A 132
 None
 0.85A 4z91F-5jp5A:
undetectable
4z91G-5jp5A:
undetectable
4z91H-5jp5A:
undetectable
4z91I-5jp5A:
undetectable
4z91J-5jp5A:
undetectable		 4z91F-5jp5A:
19.31
4z91G-5jp5A:
19.31
4z91H-5jp5A:
19.31
4z91I-5jp5A:
19.31
4z91J-5jp5A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF06444
(NADH_dehy_S2_C) 		4 LEU M 147
THR M 134
THR N 301
THR N 297
 None
 0.89A 4z91F-5lc5M:
undetectable
4z91G-5lc5M:
undetectable
4z91H-5lc5M:
undetectable
4z91I-5lc5M:
undetectable
4z91J-5lc5M:
undetectable		 4z91F-5lc5M:
21.55
4z91G-5lc5M:
21.55
4z91H-5lc5M:
21.55
4z91I-5lc5M:
21.55
4z91J-5lc5M:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF06444
(NADH_dehy_S2_C) 		4 THR N 301
THR N 297
LEU M 147
THR M 134
 None
 0.96A 4z91F-5lc5N:
undetectable
4z91G-5lc5N:
undetectable
4z91H-5lc5N:
undetectable
4z91I-5lc5N:
undetectable
4z91J-5lc5N:
undetectable		 4z91F-5lc5N:
21.14
4z91G-5lc5N:
21.14
4z91H-5lc5N:
21.14
4z91I-5lc5N:
21.14
4z91J-5lc5N:
21.14
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		4 THR M 129
LEU M 130
THR M 153
LEU M 154
 None
 0.74A 4z91F-5lc5M:
undetectable
4z91G-5lc5M:
undetectable
4z91H-5lc5M:
undetectable
4z91I-5lc5M:
undetectable
4z91J-5lc5M:
undetectable		 4z91F-5lc5M:
21.55
4z91G-5lc5M:
21.55
4z91H-5lc5M:
21.55
4z91I-5lc5M:
21.55
4z91J-5lc5M:
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		4 THR L 412
LEU L 413
THR L 401
LEU L 486
 None
 0.78A 4z91F-5lnkL:
undetectable
4z91G-5lnkL:
undetectable
4z91H-5lnkL:
undetectable
4z91I-5lnkL:
undetectable
4z91J-5lnkL:
undetectable		 4z91F-5lnkL:
19.24
4z91G-5lnkL:
19.24
4z91H-5lnkL:
19.24
4z91I-5lnkL:
19.24
4z91J-5lnkL:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsp HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF01437
(PSI)
PF01833
(TIG) 		4 THR A 613
LEU A 612
THR A 582
THR A 621
 None
 0.96A 4z91F-5lspA:
undetectable
4z91G-5lspA:
undetectable
4z91H-5lspA:
undetectable
4z91I-5lspA:
undetectable
4z91J-5lspA:
undetectable		 4z91F-5lspA:
19.88
4z91G-5lspA:
19.88
4z91H-5lspA:
19.88
4z91I-5lspA:
19.88
4z91J-5lspA:
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 THR A 456
LEU A 481
THR A 476
THR A 107
LEU A 109
 None
 1.32A 4z91F-5u2oA:
2.0
4z91G-5u2oA:
2.1
4z91H-5u2oA:
2.0
4z91I-5u2oA:
1.9
4z91J-5u2oA:
1.8		 4z91F-5u2oA:
12.42
4z91G-5u2oA:
12.42
4z91H-5u2oA:
12.42
4z91I-5u2oA:
12.42
4z91J-5u2oA:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmk BIFUNCTIONAL PROTEIN
GLMU

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3)
PF14602
(Hexapep_2) 		4 LEU A  99
THR A 167
THR A 110
LEU A 114
 None
 0.88A 4z91F-5vmkA:
undetectable
4z91G-5vmkA:
undetectable
4z91H-5vmkA:
undetectable
4z91I-5vmkA:
undetectable
4z91J-5vmkA:
undetectable		 4z91F-5vmkA:
21.60
4z91G-5vmkA:
21.60
4z91H-5vmkA:
21.60
4z91I-5vmkA:
21.60
4z91J-5vmkA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4a P-GRANULE SCAFFOLD

(Caenorhabditis
japonica) 		no annotation 4 THR A  73
THR A  80
LEU A  81
THR A  76
 None
None
None
EDO  A 304 (-3.4A)
 0.96A 4z91F-5w4aA:
undetectable
4z91G-5w4aA:
undetectable
4z91H-5w4aA:
undetectable
4z91I-5w4aA:
undetectable
4z91J-5w4aA:
undetectable		 4z91F-5w4aA:
12.77
4z91G-5w4aA:
12.77
4z91H-5w4aA:
12.77
4z91I-5w4aA:
12.77
4z91J-5w4aA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION

(Mycobacterium
tuberculosis) 		no annotation 4 THR A 231
LEU A 232
THR A 286
LEU A 290
 None
1PE  A 401 ( 4.9A)
None
1PE  A 401 (-4.4A)
 0.95A 4z91F-5w95A:
undetectable
4z91G-5w95A:
undetectable
4z91H-5w95A:
undetectable
4z91I-5w95A:
undetectable
4z91J-5w95A:
undetectable		 4z91F-5w95A:
12.30
4z91G-5w95A:
12.30
4z91H-5w95A:
12.30
4z91I-5w95A:
12.30
4z91J-5w95A:
12.30
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 5 THR B 504
LEU B 532
THR B 604
LEU B 542
THR B2656
 None
 1.21A 4z91F-5wfcB:
undetectable
4z91G-5wfcB:
undetectable
4z91H-5wfcB:
undetectable
4z91I-5wfcB:
undetectable
4z91J-5wfcB:
undetectable		 4z91F-5wfcB:
12.70
4z91G-5wfcB:
12.70
4z91H-5wfcB:
12.70
4z91I-5wfcB:
12.70
4z91J-5wfcB:
12.70
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA

(Chaetomium
thermophilum) 		no annotation 4 THR B 604
THR B2656
THR B 504
LEU B 532
 None
 0.79A 4z91F-5wfcB:
undetectable
4z91G-5wfcB:
undetectable
4z91H-5wfcB:
undetectable
4z91I-5wfcB:
undetectable
4z91J-5wfcB:
undetectable		 4z91F-5wfcB:
12.70
4z91G-5wfcB:
12.70
4z91H-5wfcB:
12.70
4z91I-5wfcB:
12.70
4z91J-5wfcB:
12.70
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.
5z97 LACTONASE FOR
PROTEIN

(Rhinocladiella
mackenziei) 		no annotation 4 THR A  74
THR A  12
THR A  89
LEU A  90
 None
 0.94A 4z91F-5z97A:
undetectable
4z91G-5z97A:
undetectable
4z91H-5z97A:
undetectable
4z91I-5z97A:
undetectable
4z91J-5z97A:
undetectable		 4z91F-5z97A:
14.55
4z91G-5z97A:
14.55
4z91H-5z97A:
14.55
4z91I-5z97A:
14.55
4z91J-5z97A:
14.55
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.
6avf HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-7 ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 THR H 214
LEU H 215
LEU H 272
THR H 216
 None
 0.85A 4z91F-6avfH:
undetectable
4z91G-6avfH:
undetectable
4z91H-6avfH:
undetectable
4z91I-6avfH:
undetectable
4z91J-6avfH:
undetectable		 4z91F-6avfH:
13.03
4z91G-6avfH:
13.03
4z91H-6avfH:
13.03
4z91I-6avfH:
13.03
4z91J-6avfH:
13.03
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 5 THR B 888
LEU B 873
THR B 836
THR B 870
THR B 872
 None
 1.41A 4z91F-6exvB:
1.4
4z91G-6exvB:
1.5
4z91H-6exvB:
1.4
4z91I-6exvB:
1.5
4z91J-6exvB:
1.5		 4z91F-6exvB:
11.49
4z91G-6exvB:
11.49
4z91H-6exvB:
11.49
4z91I-6exvB:
11.49
4z91J-6exvB:
11.49
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 LEU M 150
THR M 129
THR M 125
THR M 153
 None
 0.87A 4z91F-6g2jM:
undetectable
4z91G-6g2jM:
undetectable
4z91H-6g2jM:
undetectable
4z91I-6g2jM:
undetectable
4z91J-6g2jM:
undetectable		 4z91F-6g2jM:
13.10
4z91G-6g2jM:
13.10
4z91H-6g2jM:
13.10
4z91I-6g2jM:
13.10
4z91J-6g2jM:
13.10
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 THR M 125
THR M 153
LEU M 150
THR M 129
 None
 0.76A 4z91F-6g2jM:
undetectable
4z91G-6g2jM:
undetectable
4z91H-6g2jM:
undetectable
4z91I-6g2jM:
undetectable
4z91J-6g2jM:
undetectable		 4z91F-6g2jM:
13.10
4z91G-6g2jM:
13.10
4z91H-6g2jM:
13.10
4z91I-6g2jM:
13.10
4z91J-6g2jM:
13.10