SIMILAR PATTERNS OF AMINO ACIDS FOR 5L5F_V_BO2V301_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.
1fmm ACIDIC FIBROBLAST
GROWTH FACTOR

(Notophthalmus
viridescens) 		PF00167
(FGF) 		5 THR S 115
GLN S  64
ALA S 121
GLY S 102
THR S 109
 None
 1.19A 5l5fV-1fmmS:
undetectable
5l5fW-1fmmS:
undetectable		 5l5fV-1fmmS:
18.42
5l5fW-1fmmS:
21.72
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.
1fts FTSY

(Escherichia
coli) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLN A 234
GLY A 454
THR A 206
ALA A 452
THR A 451
 None
 1.13A 5l5fV-1ftsA:
undetectable
5l5fW-1ftsA:
undetectable		 5l5fV-1ftsA:
24.47
5l5fW-1ftsA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9r IMMUNOGLOBULIN H

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.82A 5l5fV-1i9rH:
undetectable
5l5fW-1i9rH:
undetectable		 5l5fV-1i9rH:
21.32
5l5fW-1i9rH:
21.99
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 ALA A 433
GLY A 434
THR A 435
ALA A 438
THR A 437
 None
FAD  A 652 (-3.4A)
FAD  A 652 (-3.6A)
None
None
 0.98A 5l5fV-1o5wA:
undetectable
5l5fW-1o5wA:
undetectable		 5l5fV-1o5wA:
18.82
5l5fW-1o5wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pkq (8-18C5) CHIMERIC
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 188
GLY B 134
THR B 135
ALA B 136
THR B 131
 None
 0.88A 5l5fV-1pkqB:
undetectable
5l5fW-1pkqB:
undetectable		 5l5fV-1pkqB:
20.74
5l5fW-1pkqB:
24.05
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		7 THR H   1
GLN H  22
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.46A 5l5fV-1q5qH:
25.8
5l5fW-1q5qH:
24.5		 5l5fV-1q5qH:
26.48
5l5fW-1q5qH:
26.64
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 GLN H  22
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.46A 5l5fV-1q5rH:
23.9
5l5fW-1q5rH:
23.3		 5l5fV-1q5rH:
26.88
5l5fW-1q5rH:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzf FAB E51 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.93A 5l5fV-1rzfH:
undetectable
5l5fW-1rzfH:
undetectable		 5l5fV-1rzfH:
19.46
5l5fW-1rzfH:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A 188
GLY A 134
THR A 135
ALA A 136
THR A 131
 None
 0.92A 5l5fV-1rzgA:
undetectable
5l5fW-1rzgA:
undetectable		 5l5fV-1rzgA:
21.74
5l5fW-1rzgA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukr ENDO-1,4-B-XYLANASE
I

(Aspergillus
niger) 		PF00457
(Glyco_hydro_11) 		5 SER A  65
ALA A 175
GLY A 176
ALA A  60
ASP A  85
 None
 1.23A 5l5fV-1ukrA:
undetectable
5l5fW-1ukrA:
undetectable		 5l5fV-1ukrA:
19.33
5l5fW-1ukrA:
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.
1um4 ANTIBODY 21H3 H
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.79A 5l5fV-1um4H:
undetectable
5l5fW-1um4H:
undetectable		 5l5fV-1um4H:
22.45
5l5fW-1um4H:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwe ANTIBODY 14D9

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.83A 5l5fV-1uweH:
undetectable
5l5fW-1uweH:
undetectable		 5l5fV-1uweH:
22.48
5l5fW-1uweH:
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.
1uxz CELLULASE B

(Cellvibrio
mixtus) 		PF03422
(CBM_6) 		5 GLY A  91
THR A  94
ALA A  62
THR A  89
ASP A  24
 None
 1.22A 5l5fV-1uxzA:
undetectable
5l5fW-1uxzA:
undetectable		 5l5fV-1uxzA:
20.17
5l5fW-1uxzA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x5q LAP4 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLN A  24
ALA A  93
GLY A  94
THR A  95
ALA A  96
 None
 1.22A 5l5fV-1x5qA:
undetectable
5l5fW-1x5qA:
undetectable		 5l5fV-1x5qA:
18.87
5l5fW-1x5qA:
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.
1yoa PUTATIVE
FLAVOPROTEIN

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		5 THR A  86
GLN A  80
ALA A  30
GLY A  31
THR A  32
 FAD  A 401 (-4.5A)
None
None
FAD  A 401 (-3.5A)
None
 1.20A 5l5fV-1yoaA:
undetectable
5l5fW-1yoaA:
undetectable		 5l5fV-1yoaA:
23.29
5l5fW-1yoaA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 ALA A 189
GLY A 188
THR A 187
ALA A 191
THR A 192
 None
 1.21A 5l5fV-2a0uA:
undetectable
5l5fW-2a0uA:
undetectable		 5l5fV-2a0uA:
21.79
5l5fW-2a0uA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 GLN A 224
ALA A 189
GLY A 188
THR A 187
ALA A 191
 SO4  A 402 (-4.2A)
None
None
None
None
 1.20A 5l5fV-2a0uA:
undetectable
5l5fW-2a0uA:
undetectable		 5l5fV-2a0uA:
21.79
5l5fW-2a0uA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 5l5fV-2b4cH:
undetectable
5l5fW-2b4cH:
undetectable		 5l5fV-2b4cH:
20.72
5l5fW-2b4cH:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 CYH A 142
ALA A 194
GLY A 198
THR A 201
ALA A 200
 None
 1.10A 5l5fV-2dvmA:
undetectable
5l5fW-2dvmA:
undetectable		 5l5fV-2dvmA:
21.92
5l5fW-2dvmA:
19.68
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.
2eh7 HUMANIZED KR127 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.90A 5l5fV-2eh7H:
undetectable
5l5fW-2eh7H:
undetectable		 5l5fV-2eh7H:
21.43
5l5fW-2eh7H:
22.84
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
LYS H 333
ALA H 346
GLY H 347
ALA H 352
 None
 1.09A 5l5fV-2fhgH:
25.1
5l5fW-2fhgH:
23.9		 5l5fV-2fhgH:
26.85
5l5fW-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 8 THR H 301
SER H 320
GLN H 322
LYS H 333
ALA H 346
GLY H 347
THR H 348
ALA H 349
 None
 0.57A 5l5fV-2fhgH:
25.1
5l5fW-2fhgH:
23.9		 5l5fV-2fhgH:
26.85
5l5fW-2fhgH:
23.05
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.
2jz4 JASMONATE INDUCIBLE
PROTEIN ISOLOG

(Arabidopsis
thaliana) 		PF01419
(Jacalin) 		5 ALA A 263
GLY A 264
THR A 265
ALA A 266
THR A 232
 None
 0.85A 5l5fV-2jz4A:
undetectable
5l5fW-2jz4A:
undetectable		 5l5fV-2jz4A:
23.20
5l5fW-2jz4A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
graminearum) 		PF02458
(Transferase) 		5 GLN A 211
ALA A 218
GLY A 219
ALA A 369
CYH A 290
 None
 1.20A 5l5fV-2rkvA:
undetectable
5l5fW-2rkvA:
undetectable		 5l5fV-2rkvA:
20.31
5l5fW-2rkvA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 433
GLY A 434
THR A 435
ALA A 438
THR A 437
 None
FAD  A 600 (-3.1A)
FAD  A 600 (-3.4A)
None
None
 0.95A 5l5fV-2z5xA:
undetectable
5l5fW-2z5xA:
undetectable		 5l5fV-2z5xA:
18.93
5l5fW-2z5xA:
15.58
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.
3alr NANOS PROTEIN

(Danio rerio) 		PF05741
(zf-nanos) 		5 ALA A 135
GLY A 134
THR A 133
ALA A 132
CYH A 130
 None
None
None
ZN  A 602 ( 4.7A)
ZN  A 602 (-2.3A)
 1.16A 5l5fV-3alrA:
undetectable
5l5fW-3alrA:
undetectable		 5l5fV-3alrA:
19.30
5l5fW-3alrA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d85 FAB OF ANTIBODY
7G10, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 190
GLY B 136
THR B 137
ALA B 138
THR B 133
 None
 0.76A 5l5fV-3d85B:
undetectable
5l5fW-3d85B:
undetectable		 5l5fV-3d85B:
22.01
5l5fW-3d85B:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 THR A  92
SER A 127
GLN A   6
ALA A  37
GLY A  33
 None
 1.13A 5l5fV-3en0A:
undetectable
5l5fW-3en0A:
undetectable		 5l5fV-3en0A:
24.59
5l5fW-3en0A:
21.62
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.
3h0t FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 197
GLY B 143
THR B 144
ALA B 145
THR B 140
 None
 0.87A 5l5fV-3h0tB:
undetectable
5l5fW-3h0tB:
undetectable		 5l5fV-3h0tB:
22.01
5l5fW-3h0tB:
23.60
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 SER A 168
ALA A 227
GLY A 228
ALA A 151
ASP A 231
 None
 1.20A 5l5fV-3h6eA:
undetectable
5l5fW-3h6eA:
undetectable		 5l5fV-3h6eA:
20.84
5l5fW-3h6eA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9g SONEPCIZUMAB
ANTIBODY FAB
FRAGMENT, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.84A 5l5fV-3i9gH:
undetectable
5l5fW-3i9gH:
undetectable		 5l5fV-3i9gH:
20.55
5l5fW-3i9gH:
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.88A 5l5fV-3ktdA:
undetectable
5l5fW-3ktdA:
undetectable		 5l5fV-3ktdA:
21.71
5l5fW-3ktdA:
21.64
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		5 SER A 278
ALA A 250
GLY A 251
ALA A  82
THR A  84
 None
EPE  A 305 ( 4.1A)
None
None
None
 1.17A 5l5fV-3lezA:
undetectable
5l5fW-3lezA:
undetectable		 5l5fV-3lezA:
24.65
5l5fW-3lezA:
21.82
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
LYS N  33
GLY N  47
ALA N  49
THR N  52
 None
 0.63A 5l5fV-3mg6N:
29.4
5l5fW-3mg6N:
27.6		 5l5fV-3mg6N:
29.49
5l5fW-3mg6N:
23.00
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.
3oaz FAB 2G12, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.88A 5l5fV-3oazH:
undetectable
5l5fW-3oazH:
undetectable		 5l5fV-3oazH:
20.32
5l5fW-3oazH:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qhf HUMAN MONOCLONAL
ANTIBODY DEL2D1,
FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.94A 5l5fV-3qhfH:
undetectable
5l5fW-3qhfH:
undetectable		 5l5fV-3qhfH:
19.69
5l5fW-3qhfH:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo0 FAB FRAGMENT OF
IMMUNOGLOBULIN G1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.87A 5l5fV-3qo0B:
undetectable
5l5fW-3qo0B:
undetectable		 5l5fV-3qo0B:
20.90
5l5fW-3qo0B:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qpx FAB C2507 HEAVY
CHAIN

(Homo sapiens;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.79A 5l5fV-3qpxH:
undetectable
5l5fW-3qpxH:
undetectable		 5l5fV-3qpxH:
20.90
5l5fW-3qpxH:
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.
3u1s FAB PGT145 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.83A 5l5fV-3u1sH:
undetectable
5l5fW-3u1sH:
undetectable		 5l5fV-3u1sH:
23.55
5l5fW-3u1sH:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
CYH H  31
LYS H  33
ALA H  46
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.51A 5l5fV-3unfH:
35.7
5l5fW-3unfH:
28.7		 5l5fV-3unfH:
46.78
5l5fW-3unfH:
23.83
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 THR A 131
ALA A 149
GLY A 150
THR A 151
ASP A 153
 None
 1.23A 5l5fV-3v76A:
undetectable
5l5fW-3v76A:
undetectable		 5l5fV-3v76A:
20.00
5l5fW-3v76A:
19.76
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLN A 120
CYH A 127
ALA A 108
GLY A 305
ALA A 301
 None
 1.10A 5l5fV-3vglA:
undetectable
5l5fW-3vglA:
undetectable		 5l5fV-3vglA:
24.15
5l5fW-3vglA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR L   1
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.42A 5l5fV-3wxrL:
28.9
5l5fW-3wxrL:
25.4		 5l5fV-3wxrL:
29.29
5l5fW-3wxrL:
22.60
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		5 THR A 134
CYH A 275
ALA A 179
GLY A 180
ASP A 145
 None
 0.99A 5l5fV-3zdpA:
undetectable
5l5fW-3zdpA:
undetectable		 5l5fV-3zdpA:
19.09
5l5fW-3zdpA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A 424
GLY A 425
THR A 426
ALA A 429
THR A 428
 None
FAD  A 600 (-3.3A)
FAD  A 600 (-3.4A)
None
None
 0.98A 5l5fV-3zyxA:
undetectable
5l5fW-3zyxA:
undetectable		 5l5fV-3zyxA:
17.68
5l5fW-3zyxA:
19.00
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.
4f33 MORAB-009 FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.75A 5l5fV-4f33B:
undetectable
5l5fW-4f33B:
undetectable		 5l5fV-4f33B:
21.03
5l5fW-4f33B:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glr ANTI-PTAU HEAVY
CHAIN

(Gallus gallus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.74A 5l5fV-4glrH:
undetectable
5l5fW-4glrH:
undetectable		 5l5fV-4glrH:
23.72
5l5fW-4glrH:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4het HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 SER A  93
GLN A  64
ALA A  83
GLY A  84
ASP A  60
 None
 1.18A 5l5fV-4hetA:
undetectable
5l5fW-4hetA:
undetectable		 5l5fV-4hetA:
20.65
5l5fW-4hetA:
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.
4hfu FAB 8M2 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.91A 5l5fV-4hfuH:
undetectable
5l5fW-4hfuH:
undetectable		 5l5fV-4hfuH:
20.00
5l5fW-4hfuH:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLN A 320
ALA A 108
GLY A 107
ALA A 105
ASP A 324
 None
 1.11A 5l5fV-4hkmA:
undetectable
5l5fW-4hkmA:
undetectable		 5l5fV-4hkmA:
21.22
5l5fW-4hkmA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3r HEAVY CHAIN OF
VRC-PG04 FAB

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 1.02A 5l5fV-4i3rH:
undetectable
5l5fW-4i3rH:
undetectable		 5l5fV-4i3rH:
20.25
5l5fW-4i3rH:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ldq METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Homo sapiens) 		PF01008
(IF-2B) 		5 ALA A 172
GLY A 171
THR A 170
ALA A 174
THR A 175
 None
 1.22A 5l5fV-4ldqA:
undetectable
5l5fW-4ldqA:
undetectable		 5l5fV-4ldqA:
20.75
5l5fW-4ldqA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 SER A 152
ALA A 217
GLY A 216
THR A 215
THR A 235
 None
 1.17A 5l5fV-4mh1A:
undetectable
5l5fW-4mh1A:
undetectable		 5l5fV-4mh1A:
19.34
5l5fW-4mh1A:
16.58
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.
4oaw HEAVY CHAIN OF FAB
FRAGMENT OF
ANTI-HIV1 GP120 V2
MAB 2158

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 205
GLY B 151
THR B 152
ALA B 153
THR B 148
 None
 0.84A 5l5fV-4oawB:
undetectable
5l5fW-4oawB:
undetectable		 5l5fV-4oawB:
21.84
5l5fW-4oawB:
23.32
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.
4ocw CAP256-VRC26.06
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.83A 5l5fV-4ocwH:
undetectable
5l5fW-4ocwH:
undetectable		 5l5fV-4ocwH:
22.34
5l5fW-4ocwH:
23.31
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.
4od1 CAP256-VRC26.03
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 5l5fV-4od1H:
undetectable
5l5fW-4od1H:
undetectable		 5l5fV-4od1H:
22.18
5l5fW-4od1H:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 466
ALA A 439
GLY A 440
THR A 441
ASP A 622
 None
 1.18A 5l5fV-4qmeA:
undetectable
5l5fW-4qmeA:
undetectable		 5l5fV-4qmeA:
14.38
5l5fW-4qmeA:
12.69
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 GLN A-322
ALA A-102
GLY A-317
THR A-318
ALA A-319
 None
 1.22A 5l5fV-4qszA:
undetectable
5l5fW-4qszA:
undetectable		 5l5fV-4qszA:
15.03
5l5fW-4qszA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.32A 5l5fV-4qv9K:
29.3
5l5fW-4qv9K:
25.6		 5l5fV-4qv9K:
29.29
5l5fW-4qv9K:
27.19
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.
4r4f ANTIBODY 2.2C HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 1.01A 5l5fV-4r4fH:
undetectable
5l5fW-4r4fH:
undetectable		 5l5fV-4r4fH:
20.65
5l5fW-4r4fH:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rqq HUMAN ANTI-HIV-1
ANTIBODY PGDM1400
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.98A 5l5fV-4rqqH:
undetectable
5l5fW-4rqqH:
undetectable		 5l5fV-4rqqH:
20.61
5l5fW-4rqqH:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 5 GLN A 413
GLY A 476
THR A 475
ALA A 474
THR A 496
 None
 1.08A 5l5fV-4tz5A:
undetectable
5l5fW-4tz5A:
undetectable		 5l5fV-4tz5A:
18.89
5l5fW-4tz5A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 SER A 164
GLN A 204
ALA A 200
GLY A 201
THR A 219
 None
 0.98A 5l5fV-4wgkA:
undetectable
5l5fW-4wgkA:
undetectable		 5l5fV-4wgkA:
16.18
5l5fW-4wgkA:
15.73
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.
4yaq PG9_N100FY FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 197
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.97A 5l5fV-4yaqH:
undetectable
5l5fW-4yaqH:
undetectable		 5l5fV-4yaqH:
20.60
5l5fW-4yaqH:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 202
GLY H 148
THR H 149
ALA H 150
THR H 145
 None
 0.73A 5l5fV-4ye4H:
undetectable
5l5fW-4ye4H:
undetectable		 5l5fV-4ye4H:
24.22
5l5fW-4ye4H:
23.48
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		5 THR F 200
GLY F 196
THR F 195
ALA F 194
THR F 221
 None
 1.11A 5l5fV-5a5tF:
undetectable
5l5fW-5a5tF:
undetectable		 5l5fV-5a5tF:
20.33
5l5fW-5a5tF:
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.
5cd3 DRVIA7 HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER G 187
GLY G 133
THR G 134
ALA G 135
THR G 130
 None
 0.85A 5l5fV-5cd3G:
undetectable
5l5fW-5cd3G:
undetectable		 5l5fV-5cd3G:
19.68
5l5fW-5cd3G:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 277
LYS A 412
ALA A 270
GLY A 271
THR A 373
 None
None
None
ADP  A 501 (-3.6A)
ADP  A 501 (-3.8A)
 1.17A 5l5fV-5dmhA:
undetectable
5l5fW-5dmhA:
undetectable		 5l5fV-5dmhA:
22.04
5l5fW-5dmhA:
18.28
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.
5f89 CAP248-2B HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.81A 5l5fV-5f89H:
undetectable
5l5fW-5f89H:
undetectable		 5l5fV-5f89H:
18.60
5l5fW-5f89H:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
CYH H  31
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.37A 5l5fV-5fg9H:
37.3
5l5fW-5fg9H:
26.1		 5l5fV-5fg9H:
98.31
5l5fW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR H   1
GLN H  22
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.68A 5l5fV-5fg9H:
37.3
5l5fW-5fg9H:
26.1		 5l5fV-5fg9H:
98.31
5l5fW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
SER H  20
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.66A 5l5fV-5fg9H:
37.3
5l5fW-5fg9H:
26.1		 5l5fV-5fg9H:
98.31
5l5fW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
SER H  20
GLN H  22
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.76A 5l5fV-5fg9H:
37.3
5l5fW-5fg9H:
26.1		 5l5fV-5fg9H:
98.31
5l5fW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.07A 5l5fV-5fmgI:
30.2
5l5fW-5fmgI:
26.6		 5l5fV-5fmgI:
48.94
5l5fW-5fmgI:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
CYH I  31
ALA I  46
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.61A 5l5fV-5fmgI:
30.2
5l5fW-5fmgI:
26.6		 5l5fV-5fmgI:
48.94
5l5fW-5fmgI:
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A 328
ALA A 312
GLY A 307
THR A 306
THR A  69
 None
 1.22A 5l5fV-5i2hA:
undetectable
5l5fW-5i2hA:
undetectable		 5l5fV-5i2hA:
21.43
5l5fW-5i2hA:
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.
5i8k HHH1 FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 191
GLY H 137
THR H 138
ALA H 139
THR H 134
 None
 0.87A 5l5fV-5i8kH:
undetectable
5l5fW-5i8kH:
undetectable		 5l5fV-5i8kH:
19.28
5l5fW-5i8kH:
22.63
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		5 ALA A 264
GLY A 204
THR A 203
ALA A 202
ASP A 336
 None
 1.19A 5l5fV-5jp6A:
undetectable
5l5fW-5jp6A:
undetectable		 5l5fV-5jp6A:
23.31
5l5fW-5jp6A:
20.96
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.
5kan 16.G.07 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER G 203
GLY G 149
THR G 150
ALA G 151
THR G 146
 None
 1.16A 5l5fV-5kanG:
undetectable
5l5fW-5kanG:
undetectable		 5l5fV-5kanG:
21.15
5l5fW-5kanG:
23.58
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.40A 5l5fV-5l5wK:
29.2
5l5fW-5l5wK:
25.4		 5l5fV-5l5wK:
29.61
5l5fW-5l5wK:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5loy DESIGNED ANBU
PROTEIN

(synthetic
construct) 		PF00227
(Proteasome) 		5 THR A   1
LYS A  32
ALA A  49
GLY A  50
THR A  55
 None
 0.85A 5l5fV-5loyA:
6.2
5l5fW-5loyA:
21.0		 5l5fV-5loyA:
23.14
5l5fW-5loyA:
29.10
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.
5n4g HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 190
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.79A 5l5fV-5n4gH:
undetectable
5l5fW-5n4gH:
undetectable		 5l5fV-5n4gH:
23.64
5l5fW-5n4gH:
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.
5nyx HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 198
GLY H 144
THR H 145
ALA H 146
THR H 141
 None
 0.83A 5l5fV-5nyxH:
undetectable
5l5fW-5nyxH:
undetectable		 5l5fV-5nyxH:
17.06
5l5fW-5nyxH:
15.61
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
LYS R  33
ALA R  46
GLY R  47
ALA R  49
 None
 0.84A 5l5fV-5t0gR:
27.2
5l5fW-5t0gR:
24.3		 5l5fV-5t0gR:
28.33
5l5fW-5t0gR:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		8 THR O   1
CYH O  31
LYS O  33
ALA O  46
GLY O  47
THR O  48
ALA O  49
THR O  52
 None
 0.95A 5l5fV-5t0hO:
30.0
5l5fW-5t0hO:
26.3		 5l5fV-5t0hO:
56.17
5l5fW-5t0hO:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5trp DH272 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 143
THR H 144
ALA H 145
THR H 140
 None
 0.92A 5l5fV-5trpH:
undetectable
5l5fW-5trpH:
undetectable		 5l5fV-5trpH:
23.47
5l5fW-5trpH:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 SER A 196
ALA A 215
GLY A 205
THR A 206
ALA A 207
 None
 1.18A 5l5fV-5tvgA:
undetectable
5l5fW-5tvgA:
undetectable		 5l5fV-5tvgA:
20.75
5l5fW-5tvgA:
17.54
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.
5u3j DH511.1 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.81A 5l5fV-5u3jH:
undetectable
5l5fW-5u3jH:
undetectable		 5l5fV-5u3jH:
22.43
5l5fW-5u3jH:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3n DH511.12P FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.83A 5l5fV-5u3nH:
undetectable
5l5fW-5u3nH:
undetectable		 5l5fV-5u3nH:
21.84
5l5fW-5u3nH:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.86A 5l5fV-5uemH:
undetectable
5l5fW-5uemH:
undetectable		 5l5fV-5uemH:
15.81
5l5fW-5uemH:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 THR A 673
ALA A 670
GLY A 669
THR A 668
ALA A 688
 NAD  A2002 (-2.9A)
NAD  A2002 (-3.5A)
NAD  A2002 (-3.3A)
None
None
 1.11A 5l5fV-5ux5A:
undetectable
5l5fW-5ux5A:
undetectable		 5l5fV-5ux5A:
13.14
5l5fW-5ux5A:
10.45
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.
5w1k CR1-10 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER D 201
GLY D 147
THR D 148
ALA D 149
THR D 144
 None
 0.84A 5l5fV-5w1kD:
undetectable
5l5fW-5w1kD:
undetectable		 5l5fV-5w1kD:
15.09
5l5fW-5w1kD:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcc VRC 315 02-1F07 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.80A 5l5fV-5wccH:
undetectable
5l5fW-5wccH:
undetectable		 5l5fV-5wccH:
16.90
5l5fW-5wccH:
17.50
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.
5wl2 -

(-) 		no annotation 5 SER H 196
GLY H 142
THR H 143
ALA H 144
THR H 139
 None
 0.87A 5l5fV-5wl2H:
undetectable
5l5fW-5wl2H:
undetectable		 5l5fV-5wl2H:
undetectable
5l5fW-5wl2H:
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.
5wna MAB 3D3 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 199
GLY H 145
THR H 146
ALA H 147
THR H 142
 None
 0.81A 5l5fV-5wnaH:
undetectable
5l5fW-5wnaH:
undetectable		 5l5fV-5wnaH:
18.50
5l5fW-5wnaH:
21.48
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.
5x5x FD CHAIN OF
ANTI-OSTEOCALCIN
ANTIBODY KTM219

(Mus musculus) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.70A 5l5fV-5x5xH:
undetectable
5l5fW-5x5xH:
undetectable		 5l5fV-5x5xH:
15.09
5l5fW-5x5xH:
19.10
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-10

(Homo sapiens) 		no annotation 6 THR B   1
CYH B  31
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.81A 5l5fV-6avoB:
21.9
5l5fW-6avoB:
20.5		 5l5fV-6avoB:
43.40
5l5fW-6avoB:
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 5 GLN A 126
ALA A 130
GLY A 129
THR A 128
THR A 248
 None
 1.18A 5l5fV-6d3uA:
undetectable
5l5fW-6d3uA:
undetectable		 5l5fV-6d3uA:
16.09
5l5fW-6d3uA:
15.00
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.
6db6 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 311-11D FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.94A 5l5fV-6db6H:
undetectable
5l5fW-6db6H:
undetectable		 5l5fV-6db6H:
15.89
5l5fW-6db6H:
17.55
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.
6elj FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER A 199
GLY A 145
THR A 146
ALA A 147
THR A 142
 None
 0.78A 5l5fV-6eljA:
undetectable
5l5fW-6eljA:
undetectable		 5l5fV-6eljA:
20.39
5l5fW-6eljA:
22.98