SIMILAR PATTERNS OF AMINO ACIDS FOR 5L66_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.
1a17 SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER A 105
GLY A  83
THR A  86
ALA A  85
ASP A 118
 None
 1.20A 5l66V-1a17A:
undetectable
5l66W-1a17A:
undetectable		 5l66V-1a17A:
21.85
5l66W-1a17A:
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 THR A 243
GLN A 612
GLY A 252
THR A 291
ASP A 535
 None
 1.24A 5l66V-1c4kA:
undetectable
5l66W-1c4kA:
undetectable		 5l66V-1c4kA:
17.71
5l66W-1c4kA:
15.96
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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 ALA A  48
GLY A  50
THR A  57
ALA A  56
THR A  52
 None
 1.25A 5l66V-1dhsA:
undetectable
5l66W-1dhsA:
undetectable		 5l66V-1dhsA:
22.62
5l66W-1dhsA:
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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.17A 5l66V-1e3dA:
undetectable
5l66W-1e3dA:
undetectable		 5l66V-1e3dA:
22.50
5l66W-1e3dA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		5 THR A  10
GLN A 113
ALA A  51
GLY A  52
ALA A  56
 None
 1.19A 5l66V-1f80A:
undetectable
5l66W-1f80A:
undetectable		 5l66V-1f80A:
20.26
5l66W-1f80A:
22.49
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.
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
 1.16A 5l66V-1fmmS:
undetectable
5l66W-1fmmS:
undetectable		 5l66V-1fmmS:
18.42
5l66W-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
 1.09A 5l66V-1ftsA:
undetectable
5l66W-1ftsA:
undetectable		 5l66V-1ftsA:
24.47
5l66W-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
 0.84A 5l66V-1i9rH:
undetectable
5l66W-1i9rH:
undetectable		 5l66V-1i9rH:
21.32
5l66W-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
 0.99A 5l66V-1o5wA:
undetectable
5l66W-1o5wA:
undetectable		 5l66V-1o5wA:
18.82
5l66W-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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 SER A 269
GLN A 267
CYH A 294
ALA A 303
THR A 301
 None
 1.20A 5l66V-1o99A:
undetectable
5l66W-1o99A:
undetectable		 5l66V-1o99A:
21.68
5l66W-1o99A:
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.
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 5l66V-1pkqB:
undetectable
5l66W-1pkqB:
undetectable		 5l66V-1pkqB:
20.74
5l66W-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
 0.63A 5l66V-1q5qH:
25.8
5l66W-1q5qH:
24.5		 5l66V-1q5qH:
26.48
5l66W-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
 0.50A 5l66V-1q5rH:
23.9
5l66W-1q5rH:
23.3		 5l66V-1q5rH:
26.88
5l66W-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.
1rfv PYRIDOXAL KINASE

(Ovis aries) 		PF08543
(Phos_pyr_kin) 		5 SER A  12
GLN A  42
ALA A 125
GLY A 124
THR A  47
 None
 0.91A 5l66V-1rfvA:
undetectable
5l66W-1rfvA:
undetectable		 5l66V-1rfvA:
22.78
5l66W-1rfvA:
23.38
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.
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
 0.95A 5l66V-1rzgA:
undetectable
5l66W-1rzgA:
undetectable		 5l66V-1rzgA:
21.74
5l66W-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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		5 ALA A  13
GLY A  12
THR A  11
ALA A  10
THR A  42
 None
None
FMN  A1401 (-4.4A)
FMN  A1401 (-3.6A)
FMN  A1401 ( 4.8A)
 1.23A 5l66V-1sbzA:
undetectable
5l66W-1sbzA:
undetectable		 5l66V-1sbzA:
24.40
5l66W-1sbzA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 5l66V-1ukrA:
undetectable
5l66W-1ukrA:
undetectable		 5l66V-1ukrA:
19.33
5l66W-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
 0.83A 5l66V-1um4H:
undetectable
5l66W-1um4H:
undetectable		 5l66V-1um4H:
22.45
5l66W-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.
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
 1.21A 5l66V-1uxzA:
undetectable
5l66W-1uxzA:
undetectable		 5l66V-1uxzA:
20.17
5l66W-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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		5 THR A  72
ALA A 145
GLY A 144
ALA A 147
THR A 148
 None
 1.28A 5l66V-1v8dA:
undetectable
5l66W-1v8dA:
undetectable		 5l66V-1v8dA:
21.35
5l66W-1v8dA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER 1 105
GLY 1  83
THR 1  86
ALA 1  85
ASP 1 118
 None
 1.18A 5l66V-1wao1:
undetectable
5l66W-1wao1:
undetectable		 5l66V-1wao1:
18.84
5l66W-1wao1:
17.82
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.
1x5q LAP4 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLN A  24
ALA A  93
GLY A  94
THR A  95
ALA A  96
 None
 1.24A 5l66V-1x5qA:
undetectable
5l66W-1x5qA:
undetectable		 5l66V-1x5qA:
18.87
5l66W-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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 114
GLY A  77
THR A  78
ALA A 138
THR A 278
 None
 1.28A 5l66V-1x9eA:
undetectable
5l66W-1x9eA:
undetectable		 5l66V-1x9eA:
21.59
5l66W-1x9eA:
21.83
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.
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 5l66V-1yoaA:
undetectable
5l66W-1yoaA:
undetectable		 5l66V-1yoaA:
23.29
5l66W-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.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 SER A 100
ALA A 263
THR A 105
ALA A 104
THR A 107
 None
 1.29A 5l66V-2b7nA:
undetectable
5l66W-2b7nA:
undetectable		 5l66V-2b7nA:
23.71
5l66W-2b7nA:
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 5 THR A  86
SER A  82
GLN A  80
GLY A 280
THR A 276
 None
 1.11A 5l66V-2d4yA:
undetectable
5l66W-2d4yA:
undetectable		 5l66V-2d4yA:
21.06
5l66W-2d4yA:
16.78
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.
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
 1.11A 5l66V-2fhgH:
25.2
5l66W-2fhgH:
24.0		 5l66V-2fhgH:
26.85
5l66W-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
 0.71A 5l66V-2fhgH:
25.2
5l66W-2fhgH:
24.0		 5l66V-2fhgH:
26.85
5l66W-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 5l66V-2jz4A:
undetectable
5l66W-2jz4A:
undetectable		 5l66V-2jz4A:
23.20
5l66W-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
 1.25A 5l66V-2rkvA:
undetectable
5l66W-2rkvA:
undetectable		 5l66V-2rkvA:
20.31
5l66W-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.
2xz3 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ENVELOPE
GLYCOPROTEIN

(Bovine leukemia
virus;
Escherichia
coli) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		5 GLN A  75
ALA A 295
GLY A  80
THR A  79
ALA A  78
 None
EDO  A1494 ( 4.4A)
None
None
None
 1.20A 5l66V-2xz3A:
undetectable
5l66W-2xz3A:
undetectable		 5l66V-2xz3A:
22.28
5l66W-2xz3A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5l66V-2z5xA:
undetectable
5l66W-2z5xA:
undetectable		 5l66V-2z5xA:
18.93
5l66W-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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 THR C  44
ALA C  11
GLY C  10
THR C   8
ALA C  32
 None
NAD  C4300 ( 4.0A)
None
None
None
 1.25A 5l66V-3a28C:
undetectable
5l66W-3a28C:
undetectable		 5l66V-3a28C:
22.89
5l66W-3a28C:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.15A 5l66V-3alrA:
undetectable
5l66W-3alrA:
undetectable		 5l66V-3alrA:
19.30
5l66W-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.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.15A 5l66V-3csgA:
undetectable
5l66W-3csgA:
undetectable		 5l66V-3csgA:
20.95
5l66W-3csgA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5l66V-3en0A:
undetectable
5l66W-3en0A:
undetectable		 5l66V-3en0A:
24.59
5l66W-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.
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
 1.17A 5l66V-3h6eA:
undetectable
5l66W-3h6eA:
undetectable		 5l66V-3h6eA:
20.84
5l66W-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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 CYH A 517
ALA A 581
GLY A 582
THR A 583
ALA A 578
 None
 1.23A 5l66V-3jbhA:
undetectable
5l66W-3jbhA:
undetectable		 5l66V-3jbhA:
7.51
5l66W-3jbhA:
7.22
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.
3lyk STRINGENT STARVATION
PROTEIN A HOMOLOG

(Haemophilus
influenzae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A  57
THR A  58
THR A  61
ASP A  19
CYH A  22
 None
 1.28A 5l66V-3lykA:
undetectable
5l66W-3lykA:
undetectable		 5l66V-3lykA:
21.69
5l66W-3lykA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.25A 5l66V-3mq9A:
undetectable
5l66W-3mq9A:
undetectable		 5l66V-3mq9A:
21.23
5l66W-3mq9A:
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.
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
 0.93A 5l66V-3oazH:
undetectable
5l66W-3oazH:
undetectable		 5l66V-3oazH:
20.32
5l66W-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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.20A 5l66V-3osrA:
undetectable
5l66W-3osrA:
undetectable		 5l66V-3osrA:
16.82
5l66W-3osrA:
15.19
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.
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
 0.83A 5l66V-3qpxH:
undetectable
5l66W-3qpxH:
undetectable		 5l66V-3qpxH:
20.90
5l66W-3qpxH:
22.36
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)
 0.61A 5l66V-3unfH:
35.7
5l66W-3unfH:
28.7		 5l66V-3unfH:
46.78
5l66W-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 5l66V-3v76A:
undetectable
5l66W-3v76A:
undetectable		 5l66V-3v76A:
20.00
5l66W-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 5l66V-3vglA:
undetectable
5l66W-3vglA:
undetectable		 5l66V-3vglA:
24.15
5l66W-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
 0.43A 5l66V-3wxrL:
28.9
5l66W-3wxrL:
25.4		 5l66V-3wxrL:
29.29
5l66W-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
 1.03A 5l66V-3zdpA:
undetectable
5l66W-3zdpA:
undetectable		 5l66V-3zdpA:
19.09
5l66W-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
 0.99A 5l66V-3zyxA:
undetectable
5l66W-3zyxA:
undetectable		 5l66V-3zyxA:
17.68
5l66W-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.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.21A 5l66V-4gizA:
undetectable
5l66W-4gizA:
undetectable		 5l66V-4gizA:
23.31
5l66W-4gizA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN

(Candida
albicans;
Escherichia
coli) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 GLN A-321
ALA A-101
GLY A-316
THR A-317
ALA A-318
 None
 1.18A 5l66V-4h1gA:
undetectable
5l66W-4h1gA:
undetectable		 5l66V-4h1gA:
15.17
5l66W-4h1gA:
15.18
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
 1.15A 5l66V-4hetA:
undetectable
5l66W-4hetA:
undetectable		 5l66V-4hetA:
20.65
5l66W-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.
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
 0.99A 5l66V-4hkmA:
undetectable
5l66W-4hkmA:
undetectable		 5l66V-4hkmA:
21.22
5l66W-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.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		5 ALA A 289
GLY A 328
THR A 329
ALA A 332
THR A 331
 None
 1.25A 5l66V-4ke4A:
undetectable
5l66W-4ke4A:
undetectable		 5l66V-4ke4A:
21.95
5l66W-4ke4A:
17.84
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.
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
 1.19A 5l66V-4mh1A:
undetectable
5l66W-4mh1A:
undetectable		 5l66V-4mh1A:
19.34
5l66W-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
 0.88A 5l66V-4oawB:
undetectable
5l66W-4oawB:
undetectable		 5l66V-4oawB:
21.84
5l66W-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
 0.87A 5l66V-4ocwH:
undetectable
5l66W-4ocwH:
undetectable		 5l66V-4ocwH:
22.34
5l66W-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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.28A 5l66V-4qjiA:
undetectable
5l66W-4qjiA:
undetectable		 5l66V-4qjiA:
23.60
5l66W-4qjiA:
21.37
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.
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 5l66V-4qmeA:
undetectable
5l66W-4qmeA:
undetectable		 5l66V-4qmeA:
14.38
5l66W-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
 1.13A 5l66V-4qszA:
undetectable
5l66W-4qszA:
undetectable		 5l66V-4qszA:
15.03
5l66W-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 5l66V-4qv9K:
29.2
5l66W-4qv9K:
25.7		 5l66V-4qv9K:
29.29
5l66W-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.
4r0y MALTOSE-BINDING
PERIPLASMIC PROTEIN,
DISKS
LARGE-ASSOCIATED
PROTEIN 1

(Escherichia
coli;
Rattus
norvegicus) 		PF03359
(GKAP)
PF13416
(SBP_bac_8) 		5 GLN A  49
ALA A 269
GLY A  54
THR A  53
ALA A  52
 None
 1.20A 5l66V-4r0yA:
undetectable
5l66W-4r0yA:
undetectable		 5l66V-4r0yA:
21.41
5l66W-4r0yA:
18.14
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.
4rlt (3R)-HYDROXYACYL-ACP
DEHYDRATASE SUBUNIT
HADA
(3R)-HYDROXYACYL-ACP
DEHYDRATASE SUBUNIT
HADB

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 THR A  58
GLN A  33
GLY B  67
THR B  71
ASP A  35
 FSE  A 201 ( 4.8A)
None
None
None
None
 1.24A 5l66V-4rltA:
undetectable
5l66W-4rltA:
undetectable		 5l66V-4rltA:
21.27
5l66W-4rltA:
21.57
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.
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
 0.99A 5l66V-4tz5A:
undetectable
5l66W-4tz5A:
undetectable		 5l66V-4tz5A:
18.89
5l66W-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
 1.02A 5l66V-4wgkA:
undetectable
5l66W-4wgkA:
undetectable		 5l66V-4wgkA:
16.18
5l66W-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.
4xaj MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR
RECEPTOR SUBFAMILY 2
GROUP E MEMBER 1

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 GLN A  51
ALA A 271
GLY A  56
THR A  55
ALA A  54
 None
 1.26A 5l66V-4xajA:
undetectable
5l66W-4xajA:
undetectable		 5l66V-4xajA:
16.55
5l66W-4xajA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.76A 5l66V-4ye4H:
undetectable
5l66W-4ye4H:
undetectable		 5l66V-4ye4H:
24.22
5l66W-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 5l66V-5a5tF:
undetectable
5l66W-5a5tF:
undetectable		 5l66V-5a5tF:
20.33
5l66W-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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 369
GLY A 370
THR A  20
ASP A  99
CYH A  95
 None
ADP  A 501 (-3.3A)
None
None
None
 1.28A 5l66V-5dmhA:
undetectable
5l66W-5dmhA:
undetectable		 5l66V-5dmhA:
22.04
5l66W-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.
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)
 1.19A 5l66V-5dmhA:
undetectable
5l66W-5dmhA:
undetectable		 5l66V-5dmhA:
22.04
5l66W-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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 THR A 279
GLN A 474
GLY A 483
THR A 485
THR A 498
 None
 1.29A 5l66V-5e0cA:
undetectable
5l66W-5e0cA:
undetectable		 5l66V-5e0cA:
20.15
5l66W-5e0cA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 5l66V-5f89H:
undetectable
5l66W-5f89H:
undetectable		 5l66V-5f89H:
18.60
5l66W-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) 		9 THR H   1
GLN H  22
CYH H  31
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.79A 5l66V-5fg9H:
37.0
5l66W-5fg9H:
26.1		 5l66V-5fg9H:
98.31
5l66W-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
CYH H  31
LYS H  33
ALA H  46
THR H  52
 None
 0.81A 5l66V-5fg9H:
37.0
5l66W-5fg9H:
26.1		 5l66V-5fg9H:
98.31
5l66W-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) 		5 LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.08A 5l66V-5fmgI:
30.1
5l66W-5fmgI:
26.6		 5l66V-5fmgI:
48.94
5l66W-5fmgI:
21.96
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) 		5 THR I   1
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.87A 5l66V-5fmgI:
30.1
5l66W-5fmgI:
26.6		 5l66V-5fmgI:
48.94
5l66W-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)
 0.74A 5l66V-5fmgI:
30.1
5l66W-5fmgI:
26.6		 5l66V-5fmgI:
48.94
5l66W-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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		5 GLN A  51
ALA A 271
GLY A  56
THR A  55
ALA A  54
 None
 1.18A 5l66V-5gxvA:
undetectable
5l66W-5gxvA:
undetectable		 5l66V-5gxvA:
20.18
5l66W-5gxvA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.21A 5l66V-5h7nA:
undetectable
5l66W-5h7nA:
undetectable		 5l66V-5h7nA:
22.22
5l66W-5h7nA:
17.84
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.
5hz7 COMP

(Neisseria
meningitidis) 		PF13416
(SBP_bac_8)
PF16732
(ComP_DUS) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.26A 5l66V-5hz7A:
undetectable
5l66W-5hz7A:
undetectable		 5l66V-5hz7A:
22.36
5l66W-5hz7A:
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 GLN A 104
ALA A 324
GLY A 109
THR A 108
ALA A 107
 None
 1.27A 5l66V-5hzwA:
undetectable
5l66W-5hzwA:
undetectable		 5l66V-5hzwA:
16.43
5l66W-5hzwA:
13.60
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.
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
 1.23A 5l66V-5i2hA:
undetectable
5l66W-5i2hA:
undetectable		 5l66V-5i2hA:
21.43
5l66W-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.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		5 GLN A4018
ALA A4238
GLY A4023
THR A4022
ALA A4021
 None
 1.17A 5l66V-5iicA:
undetectable
5l66W-5iicA:
undetectable		 5l66V-5iicA:
21.04
5l66W-5iicA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 THR A 201
SER A 230
THR A 197
ALA A 226
THR A 144
 None
None
1VU  A 601 ( 4.8A)
None
None
 1.28A 5l66V-5jfmA:
undetectable
5l66W-5jfmA:
undetectable		 5l66V-5jfmA:
20.84
5l66W-5jfmA:
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.
5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE

(Escherichia
coli;
Homo sapiens) 		no annotation 5 GLN C  49
ALA C 269
GLY C  54
THR C  53
ALA C  52
 None
 1.18A 5l66V-5jj4C:
undetectable
5l66W-5jj4C:
undetectable		 5l66V-5jj4C:
19.74
5l66W-5jj4C:
17.44
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.
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
 1.22A 5l66V-5jp6A:
undetectable
5l66W-5jp6A:
undetectable		 5l66V-5jp6A:
23.31
5l66W-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.
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 5l66V-5l5wK:
29.3
5l66W-5l5wK:
25.4		 5l66V-5l5wK:
29.61
5l66W-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
 0.83A 5l66V-5loyA:
6.1
5l66W-5loyA:
21.0		 5l66V-5loyA:
23.14
5l66W-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
 0.84A 5l66V-5n4gH:
undetectable
5l66W-5n4gH:
undetectable		 5l66V-5n4gH:
23.64
5l66W-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.
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
 0.82A 5l66V-5t0gR:
27.1
5l66W-5t0gR:
24.3		 5l66V-5t0gR:
28.33
5l66W-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
 0.97A 5l66V-5t0hO:
30.0
5l66W-5t0hO:
26.3		 5l66V-5t0hO:
56.17
5l66W-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.
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
 1.15A 5l66V-5tvgA:
undetectable
5l66W-5tvgA:
undetectable		 5l66V-5tvgA:
20.75
5l66W-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
 0.84A 5l66V-5u3jH:
undetectable
5l66W-5u3jH:
undetectable		 5l66V-5u3jH:
22.43
5l66W-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.
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
 0.89A 5l66V-5uemH:
undetectable
5l66W-5uemH:
undetectable		 5l66V-5uemH:
15.81
5l66W-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 5l66V-5ux5A:
undetectable
5l66W-5ux5A:
undetectable		 5l66V-5ux5A:
13.14
5l66W-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.
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
 0.84A 5l66V-5wccH:
undetectable
5l66W-5wccH:
undetectable		 5l66V-5wccH:
16.90
5l66W-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.
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
 0.84A 5l66V-5wnaH:
undetectable
5l66W-5wnaH:
undetectable		 5l66V-5wnaH:
18.50
5l66W-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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 GLN A  50
ALA A 270
GLY A  55
THR A  54
ALA A  53
 None
 1.22A 5l66V-5wq6A:
undetectable
5l66W-5wq6A:
undetectable		 5l66V-5wq6A:
21.35
5l66W-5wq6A:
17.33
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.
5wvm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TWO-COMPONEN
T SYSTEM SENSOR
KINASE

(Escherichia
coli;
Serratia
marcescens) 		no annotation 5 GLN A  51
ALA A 271
GLY A  56
THR A  55
ALA A  54
 None
 1.11A 5l66V-5wvmA:
undetectable
5l66W-5wvmA:
undetectable		 5l66V-5wvmA:
14.04
5l66W-5wvmA:
20.51
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
 0.91A 5l66V-6avoB:
21.9
5l66W-6avoB:
20.5		 5l66V-6avoB:
43.40
5l66W-6avoB:
19.10