SIMILAR PATTERNS OF AMINO ACIDS FOR 5L5Z_K_BO2K301_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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 ALA A  37
THR A  36
ALA A  35
ALA A  13
GLY A  55
 None
 0.95A 5l5zK-1e6wA:
undetectable
5l5zL-1e6wA:
undetectable		 5l5zK-1e6wA:
22.99
5l5zL-1e6wA:
21.32
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 ALA A 275
ALA A 279
ALA A 102
GLY A 288
ALA A 106
 None
 1.04A 5l5zK-1fhuA:
undetectable
5l5zL-1fhuA:
undetectable		 5l5zK-1fhuA:
19.63
5l5zL-1fhuA:
21.58
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.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 RTL  A 176 ( 3.8A)
None
RTL  A 176 ( 3.8A)
RTL  A 176 ( 4.1A)
None
 0.85A 5l5zK-1iiuA:
undetectable
5l5zL-1iiuA:
undetectable		 5l5zK-1iiuA:
19.00
5l5zL-1iiuA:
21.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.41A 5l5zK-1j2qH:
29.6
5l5zL-1j2qH:
24.6		 5l5zK-1j2qH:
31.36
5l5zL-1j2qH:
26.78
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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 ALA A 170
THR A 169
ALA A 173
GLY A  57
ALA A 130
 None
 1.06A 5l5zK-1j33A:
undetectable
5l5zL-1j33A:
undetectable		 5l5zK-1j33A:
20.80
5l5zL-1j33A:
18.92
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A  13
ALA A 233
ALA A  79
ALA A  75
ALA A 345
 None
 1.06A 5l5zK-1j3nA:
undetectable
5l5zL-1j3nA:
undetectable		 5l5zK-1j3nA:
21.81
5l5zL-1j3nA:
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ALA A 301
THR A 300
ALA A 299
ALA A 304
ASP A 355
 None
 0.91A 5l5zK-1jalA:
undetectable
5l5zL-1jalA:
undetectable		 5l5zK-1jalA:
19.89
5l5zL-1jalA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ALA A 369
THR A 370
ALA A 371
ALA A 377
GLY A 345
 None
 0.91A 5l5zK-1kj9A:
undetectable
5l5zL-1kj9A:
undetectable		 5l5zK-1kj9A:
20.76
5l5zL-1kj9A:
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 ALA A  85
THR A  84
ALA A  82
GLY A  90
ASP A 119
 None
 1.06A 5l5zK-1nb2A:
undetectable
5l5zL-1nb2A:
undetectable		 5l5zK-1nb2A:
21.92
5l5zL-1nb2A:
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 ALA A  85
THR A  84
ALA A  83
GLY A  90
ASP A 119
 None
 1.09A 5l5zK-1nb2A:
undetectable
5l5zL-1nb2A:
undetectable		 5l5zK-1nb2A:
21.92
5l5zL-1nb2A:
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.47A 5l5zK-1q5qH:
26.1
5l5zL-1q5qH:
22.4		 5l5zK-1q5qH:
28.69
5l5zL-1q5qH:
24.10
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
GLY H  47
ALA H  49
 None
 0.64A 5l5zK-1q5rH:
23.7
5l5zL-1q5rH:
22.1		 5l5zK-1q5rH:
28.38
5l5zL-1q5rH:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		5 THR A 216
THR A 109
ALA A  32
ALA A 108
ALA A  39
 None
 1.01A 5l5zK-1ru3A:
undetectable
5l5zL-1ru3A:
undetectable		 5l5zK-1ru3A:
15.68
5l5zL-1ru3A:
14.78
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 168
THR A 169
ALA A 170
ALA A 241
GLY A 148
 None
 0.98A 5l5zK-1ulvA:
undetectable
5l5zL-1ulvA:
undetectable		 5l5zK-1ulvA:
11.85
5l5zL-1ulvA:
13.25
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 ALA A  98
THR A  99
ALA A 100
ALA A 139
ALA A 132
 None
SAM  A 400 (-3.2A)
None
None
None
 0.98A 5l5zK-1v2xA:
undetectable
5l5zL-1v2xA:
undetectable		 5l5zK-1v2xA:
20.87
5l5zL-1v2xA:
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 278
ALA A 157
ALA A 159
ALA A  58
GLY A  77
 None
 0.95A 5l5zK-1x9eA:
undetectable
5l5zL-1x9eA:
undetectable		 5l5zK-1x9eA:
21.83
5l5zL-1x9eA:
18.72
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.
1zem XYLITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 THR A  13
THR A 142
ALA A 143
ALA A 184
ALA A 120
 None
NAD  A2263 (-3.7A)
None
None
None
 1.10A 5l5zK-1zemA:
undetectable
5l5zL-1zemA:
undetectable		 5l5zK-1zemA:
21.48
5l5zL-1zemA:
22.10
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ALA B 489
THR B 495
ALA B 522
GLY B 339
ALA B 485
 None
 1.03A 5l5zK-2c6wB:
undetectable
5l5zL-2c6wB:
undetectable		 5l5zK-2c6wB:
20.49
5l5zL-2c6wB:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cvl PROTEIN TRANSLATION
INITIATION INHIBITOR

(Thermus
thermophilus) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  19
ALA A   3
ALA A  17
GLY A  64
ALA A  62
 None
 0.95A 5l5zK-2cvlA:
undetectable
5l5zL-2cvlA:
undetectable		 5l5zK-2cvlA:
21.57
5l5zL-2cvlA:
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.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ALA A 301
ALA A 283
ALA A 304
ALA A 247
ASP A 277
 None
 1.11A 5l5zK-2d1fA:
undetectable
5l5zL-2d1fA:
undetectable		 5l5zK-2d1fA:
22.55
5l5zL-2d1fA:
22.22
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.
2e2n HEXOKINASE

(Sulfurisphaera
tokodaii) 		PF01869
(BcrAD_BadFG) 		5 ALA A  55
ALA A  51
ALA A  16
GLY A  58
ALA A  60
 None
 0.96A 5l5zK-2e2nA:
undetectable
5l5zL-2e2nA:
undetectable		 5l5zK-2e2nA:
21.99
5l5zL-2e2nA:
22.90
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.
2eey MOLYBDOPTERIN
BIOSYNTHESIS

(Geobacillus
kaustophilus) 		PF01967
(MoaC) 		5 ALA A 103
THR A 104
ALA A  28
ALA A  30
ALA A  66
 None
 1.08A 5l5zK-2eeyA:
undetectable
5l5zL-2eeyA:
undetectable		 5l5zK-2eeyA:
21.30
5l5zL-2eeyA:
21.46
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 219
ALA A 198
THR A 197
ALA A 196
ALA A 175
 None
 0.74A 5l5zK-2eihA:
undetectable
5l5zL-2eihA:
undetectable		 5l5zK-2eihA:
20.99
5l5zL-2eihA:
20.40
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.
2f1n CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		5 THR A   9
ALA A 213
ALA A 215
GLY A 247
ALA A 228
 None
 1.06A 5l5zK-2f1nA:
undetectable
5l5zL-2f1nA:
undetectable		 5l5zK-2f1nA:
22.78
5l5zL-2f1nA:
22.86
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.
2fa0 HMG-COA SYNTHASE

(Brassica juncea) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A 329
ALA A 164
ALA A 166
ALA A  60
GLY A  81
 None
 1.01A 5l5zK-2fa0A:
undetectable
5l5zL-2fa0A:
undetectable		 5l5zK-2fa0A:
19.33
5l5zL-2fa0A:
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.47A 5l5zK-2fhgH:
25.5
5l5zL-2fhgH:
22.2		 5l5zK-2fhgH:
29.17
5l5zL-2fhgH:
23.19
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 ALA A  59
THR A  58
ALA A  57
ALA A 101
GLY A  69
 None
None
FMN  A1401 (-3.1A)
None
None
 0.94A 5l5zK-2h8xA:
undetectable
5l5zL-2h8xA:
undetectable		 5l5zK-2h8xA:
20.65
5l5zL-2h8xA:
21.23
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.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 THR A  61
ALA A  60
ALA A  40
GLY A  64
ALA A  45
 None
 1.08A 5l5zK-2j8iA:
undetectable
5l5zL-2j8iA:
undetectable		 5l5zK-2j8iA:
21.70
5l5zL-2j8iA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 THR A  61
ALA A  60
ALA A  40
GLY A  64
ALA A  45
 None
 1.09A 5l5zK-2j8kA:
undetectable
5l5zL-2j8kA:
undetectable		 5l5zK-2j8kA:
21.16
5l5zL-2j8kA:
24.02
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.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		5 ALA A  96
THR A  95
ALA A  74
GLY A 122
ALA A 120
 None
 0.95A 5l5zK-2opjA:
undetectable
5l5zL-2opjA:
undetectable		 5l5zK-2opjA:
22.16
5l5zL-2opjA:
20.42
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.
2ox5 SOXY PROTEIN

(Paracoccus
denitrificans) 		no annotation 5 THR Y  16
ALA Y  89
ALA Y  46
ALA Y  44
ALA Y  87
 None
 1.12A 5l5zK-2ox5Y:
undetectable
5l5zL-2ox5Y:
undetectable		 5l5zK-2ox5Y:
20.87
5l5zL-2ox5Y:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p12 HYPOTHETICAL PROTEIN
DUF402

(Rhodococcus
jostii) 		PF04167
(DUF402) 		5 ALA A 137
THR A 136
ALA A 140
GLY A 130
ALA A 126
 None
 1.05A 5l5zK-2p12A:
undetectable
5l5zL-2p12A:
undetectable		 5l5zK-2p12A:
21.27
5l5zL-2p12A:
21.96
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 OLA  A1179 ( 3.7A)
None
OLA  A1179 (-3.5A)
OLA  A1179 ( 4.0A)
None
 0.83A 5l5zK-2wq9A:
undetectable
5l5zL-2wq9A:
undetectable		 5l5zK-2wq9A:
18.87
5l5zL-2wq9A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 THR A 183
ALA A 203
ALA A   9
GLY A 186
ALA A 193
 None
 1.07A 5l5zK-2wqdA:
undetectable
5l5zL-2wqdA:
undetectable		 5l5zK-2wqdA:
15.76
5l5zL-2wqdA:
17.48
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus) 		PF00291
(PALP) 		5 ALA A 294
ALA A 276
ALA A 297
ALA A 240
ASP A 270
 None
 1.08A 5l5zK-2zsjA:
undetectable
5l5zL-2zsjA:
undetectable		 5l5zK-2zsjA:
21.27
5l5zL-2zsjA:
22.92
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus) 		PF00291
(PALP) 		5 THR A 319
ALA A 276
ALA A 297
ALA A 240
ASP A 270
 PLP  A1101 (-3.0A)
None
None
None
None
 1.09A 5l5zK-2zsjA:
undetectable
5l5zL-2zsjA:
undetectable		 5l5zK-2zsjA:
21.27
5l5zL-2zsjA:
22.92
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 292
ALA A 274
ALA A 295
ALA A 238
ASP A 268
 None
 1.09A 5l5zK-3aexA:
undetectable
5l5zL-3aexA:
undetectable		 5l5zK-3aexA:
20.90
5l5zL-3aexA:
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.
3e1e THIOESTERASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF03061
(4HBT) 		5 ALA A 114
THR A 115
ALA A 116
GLY A  34
ALA A  70
 None
 1.07A 5l5zK-3e1eA:
undetectable
5l5zL-3e1eA:
undetectable		 5l5zK-3e1eA:
18.06
5l5zL-3e1eA:
22.47
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.
3e1e THIOESTERASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF03061
(4HBT) 		5 ALA A 116
THR A 115
ALA A 114
ALA A 102
ASP A  63
 None
 1.04A 5l5zK-3e1eA:
undetectable
5l5zL-3e1eA:
undetectable		 5l5zK-3e1eA:
18.06
5l5zL-3e1eA:
22.47
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.
3fmz RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ALA A  57
THR A  56
ALA A  55
ALA A  43
GLY A  92
 2T1  A 184 (-3.6A)
None
2T1  A 184 ( 4.3A)
2T1  A 184 ( 4.7A)
None
 1.03A 5l5zK-3fmzA:
undetectable
5l5zL-3fmzA:
undetectable		 5l5zK-3fmzA:
21.97
5l5zL-3fmzA:
22.73
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.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 ALA A 275
ALA A 279
ALA A 102
GLY A 288
ALA A 106
 None
None
None
SIN  A 400 (-3.2A)
None
 1.01A 5l5zK-3gc2A:
undetectable
5l5zL-3gc2A:
undetectable		 5l5zK-3gc2A:
20.54
5l5zL-3gc2A:
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.
3h4p PROTEASOME SUBUNIT
ALPHA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA A 197
THR A 196
ALA A 194
ALA A 201
ASP A  52
 None
 1.00A 5l5zK-3h4pA:
28.7
5l5zL-3h4pA:
24.3		 5l5zK-3h4pA:
22.47
5l5zL-3h4pA:
24.63
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 THR M 213
THR M 106
ALA M  29
ALA M 105
ALA M  36
 None
 1.03A 5l5zK-3i04M:
undetectable
5l5zL-3i04M:
undetectable		 5l5zK-3i04M:
16.74
5l5zL-3i04M:
15.31
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.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 THR A 145
ALA A  90
THR A  89
ALA A  93
GLY A 140
 None
 1.05A 5l5zK-3khsA:
undetectable
5l5zL-3khsA:
undetectable		 5l5zK-3khsA:
21.28
5l5zL-3khsA:
22.00
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 ALA A  60
THR A  59
ALA A  58
ALA A 102
GLY A  33
 None
None
FMN  A 401 (-3.4A)
None
None
 0.98A 5l5zK-3krzA:
undetectable
5l5zL-3krzA:
undetectable		 5l5zK-3krzA:
22.16
5l5zL-3krzA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ALA A 122
THR A 119
ALA A 118
ALA A 121
GLY A 160
 None
TRP  A   1 (-3.7A)
TRP  A   1 (-3.4A)
None
None
 1.10A 5l5zK-3lftA:
undetectable
5l5zL-3lftA:
undetectable		 5l5zK-3lftA:
20.13
5l5zL-3lftA:
22.92
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.71A 5l5zK-3mg6N:
29.2
5l5zL-3mg6N:
25.0		 5l5zK-3mg6N:
28.37
5l5zL-3mg6N:
23.11
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ALA B  93
THR B  94
ALA B  97
GLY B  48
ALA B  91
 None
 1.09A 5l5zK-3pcoB:
undetectable
5l5zL-3pcoB:
undetectable		 5l5zK-3pcoB:
12.20
5l5zL-3pcoB:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 THR A  50
ALA A 110
ALA A 505
GLY A  48
ALA A  45
 None
 1.12A 5l5zK-3rcnA:
undetectable
5l5zL-3rcnA:
undetectable		 5l5zK-3rcnA:
15.75
5l5zL-3rcnA:
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 ALA A 191
THR A 190
ALA A 145
GLY A 233
ALA A 229
 None
None
None
SO4  A 543 (-4.6A)
None
 1.12A 5l5zK-3sqlA:
undetectable
5l5zL-3sqlA:
undetectable		 5l5zK-3sqlA:
16.82
5l5zL-3sqlA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 125
ALA A 121
GLY A 138
ALA A 385
ASP A 381
 None
 1.11A 5l5zK-3uj2A:
undetectable
5l5zL-3uj2A:
undetectable		 5l5zK-3uj2A:
18.48
5l5zL-3uj2A:
21.35
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.54A 5l5zK-3unfH:
13.8
5l5zL-3unfH:
25.4		 5l5zK-3unfH:
26.69
5l5zL-3unfH:
25.10
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
 0.43A 5l5zK-3unfH:
13.8
5l5zL-3unfH:
25.4		 5l5zK-3unfH:
26.69
5l5zL-3unfH:
25.10
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 0.92A 5l5zK-3w36A:
undetectable
5l5zL-3w36A:
undetectable		 5l5zK-3w36A:
17.58
5l5zL-3w36A:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA L  20
ALA L  22
ALA L  27
LYS L  33
GLY L  48
 None
 0.80A 5l5zK-3wxrL:
37.7
5l5zL-3wxrL:
23.1		 5l5zK-3wxrL:
82.55
5l5zL-3wxrL:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR L   1
ALA L  20
THR L  21
ALA L  22
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.59A 5l5zK-3wxrL:
37.7
5l5zL-3wxrL:
23.1		 5l5zK-3wxrL:
82.55
5l5zL-3wxrL:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ALA A 251
ALA A 637
ALA A 600
GLY A 282
ALA A 278
 None
 1.11A 5l5zK-4a01A:
undetectable
5l5zL-4a01A:
undetectable		 5l5zK-4a01A:
16.15
5l5zL-4a01A:
11.96
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 THR A 116
ALA A  42
THR A  43
ALA A  44
ALA A 137
 None
 1.07A 5l5zK-4am3A:
undetectable
5l5zL-4am3A:
undetectable		 5l5zK-4am3A:
16.47
5l5zL-4am3A:
15.11
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.
4fn4 SHORT CHAIN
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF13561
(adh_short_C2) 		5 THR A  14
THR A 143
ALA A 144
ALA A 185
ALA A 121
 None
NAD  A 501 (-4.1A)
None
None
None
 0.90A 5l5zK-4fn4A:
undetectable
5l5zL-4fn4A:
undetectable		 5l5zK-4fn4A:
26.59
5l5zL-4fn4A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
 None
 0.67A 5l5zK-4g4eA:
21.0
5l5zL-4g4eA:
17.5		 5l5zK-4g4eA:
27.65
5l5zL-4g4eA:
23.61
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.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 THR A 468
THR A 458
ALA A 446
GLY A 470
ALA A 455
 THR  A 468 ( 0.8A)
THR  A 458 ( 0.8A)
ALA  A 446 ( 0.0A)
GLY  A 470 ( 0.0A)
ALA  A 455 ( 0.0A)
 1.11A 5l5zK-4g9kA:
undetectable
5l5zL-4g9kA:
undetectable		 5l5zK-4g9kA:
17.83
5l5zL-4g9kA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga4 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ALA A 377
THR A 355
ALA A 354
ALA A 358
ALA A 386
 None
 1.10A 5l5zK-4ga4A:
undetectable
5l5zL-4ga4A:
undetectable		 5l5zK-4ga4A:
18.84
5l5zL-4ga4A:
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 ALA A 325
THR A 324
ALA A 323
ALA A 283
ASP A 315
 None
 1.10A 5l5zK-4gwnA:
undetectable
5l5zL-4gwnA:
undetectable		 5l5zK-4gwnA:
16.67
5l5zL-4gwnA:
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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.63A 5l5zK-4ho7A:
8.0
5l5zL-4ho7A:
16.9		 5l5zK-4ho7A:
24.29
5l5zL-4ho7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 568
THR A 567
ALA A 565
ALA A 394
ALA A 601
 None
 1.10A 5l5zK-4i3gA:
undetectable
5l5zL-4i3gA:
undetectable		 5l5zK-4i3gA:
14.37
5l5zL-4i3gA:
14.64
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 ALA A 215
THR A 283
ALA A 282
GLY A 195
ASP A 145
 None
 1.13A 5l5zK-4iheA:
undetectable
5l5zL-4iheA:
undetectable		 5l5zK-4iheA:
20.34
5l5zL-4iheA:
19.67
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.
4k70 UL37

(Suid
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		5 ALA A 316
THR A 317
ALA A 366
GLY A 297
ALA A 339
 None
None
GOL  A1001 ( 4.2A)
None
None
 1.07A 5l5zK-4k70A:
undetectable
5l5zL-4k70A:
undetectable		 5l5zK-4k70A:
17.48
5l5zL-4k70A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsy LYSYL ENDOPEPTIDASE

(Lysobacter
enzymogenes) 		PF13365
(Trypsin_2) 		5 ALA A 146
THR A 145
ALA A 144
GLY A 187
ASP A 225
 None
None
None
None
2OY  A 301 (-2.2A)
 1.10A 5l5zK-4nsyA:
undetectable
5l5zL-4nsyA:
undetectable		 5l5zK-4nsyA:
23.69
5l5zL-4nsyA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 THR A 252
ALA A 253
GLY A 162
ALA A 159
ASP A 287
 None
 1.08A 5l5zK-4ou4A:
undetectable
5l5zL-4ou4A:
undetectable		 5l5zK-4ou4A:
21.57
5l5zL-4ou4A:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
THR K  21
ALA K  22
ALA K  27
GLY K  48
 None
 0.90A 5l5zK-4qv9K:
38.2
5l5zL-4qv9K:
23.3		 5l5zK-4qv9K:
82.08
5l5zL-4qv9K:
23.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.47A 5l5zK-4qv9K:
38.2
5l5zL-4qv9K:
23.3		 5l5zK-4qv9K:
82.08
5l5zL-4qv9K:
23.69
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.
4w7v CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		5 ALA A 140
ALA A 144
ALA A 188
GLY A 137
ALA A 169
 None
 1.11A 5l5zK-4w7vA:
undetectable
5l5zL-4w7vA:
undetectable		 5l5zK-4w7vA:
22.85
5l5zL-4w7vA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ALA A 275
THR A 274
ALA A 273
GLY A 230
ALA A 150
 None
 1.13A 5l5zK-4yleA:
undetectable
5l5zL-4yleA:
undetectable		 5l5zK-4yleA:
23.29
5l5zL-4yleA:
20.56
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.
5a3j PUTATIVE
QUINONE-OXIDOREDUCTA
SE HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ALA A  74
ALA A  42
GLY A 103
ALA A  70
ASP A  72
 None
 1.11A 5l5zK-5a3jA:
undetectable
5l5zL-5a3jA:
undetectable		 5l5zK-5a3jA:
21.15
5l5zL-5a3jA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ALA A 471
THR A 468
ALA A 467
ALA A 470
GLY A 502
 None
 1.11A 5l5zK-5cxwA:
undetectable
5l5zL-5cxwA:
undetectable		 5l5zK-5cxwA:
21.30
5l5zL-5cxwA:
18.49
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 ALA A 257
ALA A 260
ALA A 276
GLY A 239
ALA A 241
 None
 1.05A 5l5zK-5dkvA:
undetectable
5l5zL-5dkvA:
undetectable		 5l5zK-5dkvA:
24.06
5l5zL-5dkvA:
21.73
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.63A 5l5zK-5fg9H:
28.1
5l5zL-5fg9H:
23.1		 5l5zK-5fg9H:
29.54
5l5zL-5fg9H:
24.22
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.18A 5l5zK-5fmgI:
10.5
5l5zL-5fmgI:
23.5		 5l5zK-5fmgI:
27.04
5l5zL-5fmgI:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.81A 5l5zK-5fmgI:
10.5
5l5zL-5fmgI:
23.5		 5l5zK-5fmgI:
27.04
5l5zL-5fmgI:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 125
THR A 122
ALA A 124
GLY A 104
ALA A  57
 None
 0.98A 5l5zK-5gmsA:
undetectable
5l5zL-5gmsA:
undetectable		 5l5zK-5gmsA:
22.39
5l5zL-5gmsA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		5 ALA C 156
THR C 155
ALA C 154
GLY C 161
ALA C 105
 None
None
PX4  C 303 ( 3.9A)
None
None
 1.06A 5l5zK-5h35C:
undetectable
5l5zL-5h35C:
undetectable		 5l5zK-5h35C:
25.10
5l5zL-5h35C:
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.
5iq5 MACRO DOMAIN

(Mayaro virus) 		no annotation 5 ALA A  55
THR A  54
ALA A  88
ALA A  68
ALA A  94
 None
 1.11A 5l5zK-5iq5A:
undetectable
5l5zL-5iq5A:
undetectable		 5l5zK-5iq5A:
16.11
5l5zL-5iq5A:
17.53
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 THR A 152
ALA A 389
ALA A 393
GLY A 428
ALA A 378
 None
 1.07A 5l5zK-5j72A:
undetectable
5l5zL-5j72A:
undetectable		 5l5zK-5j72A:
15.87
5l5zL-5j72A:
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.
5kvk PROTEIN KP700603

(Klebsiella
pneumoniae) 		PF02464
(CinA) 		5 ALA A 105
THR A  32
ALA A  33
ALA A 107
GLY A 101
 None
 1.02A 5l5zK-5kvkA:
undetectable
5l5zL-5kvkA:
undetectable		 5l5zK-5kvkA:
20.63
5l5zL-5kvkA:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.50A 5l5zK-5l5wK:
39.5
5l5zL-5l5wK:
23.6		 5l5zK-5l5wK:
100.00
5l5zL-5l5wK:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
ALA K  22
LYS K  33
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.41A 5l5zK-5m2bK:
39.2
5l5zL-5m2bK:
23.9		 5l5zK-5m2bK:
83.41
5l5zL-5m2bK:
23.50
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.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 ALA A  60
THR A  59
ALA A  58
ALA A 102
GLY A  33
 None
None
FMN  A1001 (-3.3A)
None
None
 1.01A 5l5zK-5nuxA:
undetectable
5l5zL-5nuxA:
undetectable		 5l5zK-5nuxA:
19.49
5l5zL-5nuxA:
17.56
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		5 ALA A  59
THR A  58
ALA A  57
ALA A 102
GLY A  32
 None
None
FMN  A 401 (-3.3A)
None
None
 1.09A 5l5zK-5ocsA:
undetectable
5l5zL-5ocsA:
undetectable		 5l5zK-5ocsA:
19.63
5l5zL-5ocsA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 ALA R  20
ALA R  22
ALA R  27
LYS R  33
GLY R  48
 None
 0.97A 5l5zK-5t0gR:
33.3
5l5zL-5t0gR:
23.9		 5l5zK-5t0gR:
83.09
5l5zL-5t0gR:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		8 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 1.05A 5l5zK-5t0gR:
33.3
5l5zL-5t0gR:
23.9		 5l5zK-5t0gR:
83.09
5l5zL-5t0gR:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
GLY R  48
 None
 0.89A 5l5zK-5vfrR:
33.7
5l5zL-5vfrR:
23.6		 5l5zK-5vfrR:
undetectable
5l5zL-5vfrR:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 8 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.65A 5l5zK-5vfrR:
33.7
5l5zL-5vfrR:
23.6		 5l5zK-5vfrR:
undetectable
5l5zL-5vfrR:
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT
10B

(Homo sapiens) 		PF00004
(AAA) 		5 THR E 284
THR E 279
ALA E 278
GLY E 239
ALA E 237
 None
 1.01A 5l5zK-5vhjE:
undetectable
5l5zL-5vhjE:
undetectable		 5l5zK-5vhjE:
21.15
5l5zL-5vhjE:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 6 THR A 394
ALA A  45
THR A  44
ALA A  31
ALA A 137
GLY A 392
 None
 1.44A 5l5zK-5yjjA:
undetectable
5l5zL-5yjjA:
undetectable		 5l5zK-5yjjA:
16.83
5l5zL-5yjjA:
15.70
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 7 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.71A 5l5zK-6avoB:
21.6
5l5zL-6avoB:
21.1		 5l5zK-6avoB:
19.44
5l5zL-6avoB:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 6 THR C   1
ALA C  20
ALA C  22
LYS C  33
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.65A 5l5zK-6avoC:
34.4
5l5zL-6avoC:
24.5		 5l5zK-6avoC:
75.00
5l5zL-6avoC:
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
ALA A  22
LYS A  33
GLY A  47
ALA A  49
 None
 0.54A 5l5zK-6avoA:
25.3
5l5zL-6avoA:
25.2		 5l5zK-6avoA:
19.91
5l5zL-6avoA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 1.02A 5l5zK-6bm8A:
undetectable
5l5zL-6bm8A:
undetectable		 5l5zK-6bm8A:
14.69
5l5zL-6bm8A:
19.14
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ALA 1 192
ALA 1 196
GLY 1  48
ALA 1  38
ASP 1 173
 None
 0.91A 5l5zK-6epd1:
9.7
5l5zL-6epd1:
19.4		 5l5zK-6epd1:
17.06
5l5zL-6epd1:
14.22
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ALA 1 194
ALA 1 192
GLY 1  48
ALA 1  38
ASP 1 173
 None
 1.06A 5l5zK-6epd1:
9.7
5l5zL-6epd1:
19.4		 5l5zK-6epd1:
17.06
5l5zL-6epd1:
14.22