SIMILAR PATTERNS OF AMINO ACIDS FOR 2F16_V_BO2V1401

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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 SER A1434
ALA A1515
ALA A1394
GLY A1446
ASP A1488
 None
 1.12A 2f16V-1e6yA:
undetectable
2f16W-1e6yA:
undetectable		 2f16V-1e6yA:
17.83
2f16W-1e6yA:
16.34
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.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 GLN A  65
ALA A  64
ALA A  71
GLY A 181
ALA A 183
 None
 1.10A 2f16V-1efvA:
undetectable
2f16W-1efvA:
undetectable		 2f16V-1efvA:
23.85
2f16W-1efvA:
21.38
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.
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 2f16V-1f80A:
undetectable
2f16W-1f80A:
undetectable		 2f16V-1f80A:
19.20
2f16W-1f80A:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  27
LYS H  33
ALA H  46
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 ( 4.7A)
CIB  H1001 (-4.4A)
 0.29A 2f16V-1j2qH:
29.6
2f16W-1j2qH:
28.2		 2f16V-1j2qH:
32.00
2f16W-1j2qH:
26.89
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.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 ALA A 262
ALA A 303
GLY A 302
ALA A 300
CYH A 367
 None
 1.19A 2f16V-1jroA:
undetectable
2f16W-1jroA:
undetectable		 2f16V-1jroA:
19.61
2f16W-1jroA:
17.97
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 SER A 158
ALA A 154
ALA A 100
GLY A 101
CYH A  61
 None
 1.01A 2f16V-1o94A:
undetectable
2f16W-1o94A:
undetectable		 2f16V-1o94A:
16.72
2f16W-1o94A:
15.78
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A  25
ALA A  28
ALA A  48
GLY A  56
ALA A  58
 None
 1.11A 2f16V-1ocmA:
undetectable
2f16W-1ocmA:
undetectable		 2f16V-1ocmA:
18.81
2f16W-1ocmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		8 THR H   1
GLN H  22
ALA H  27
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.53A 2f16V-1q5qH:
25.8
2f16W-1q5qH:
24.6		 2f16V-1q5qH:
25.78
2f16W-1q5qH:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 GLN H  22
ALA H  27
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.50A 2f16V-1q5rH:
23.8
2f16W-1q5rH:
23.4		 2f16V-1q5rH:
27.16
2f16W-1q5rH:
24.64
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 ALA A  32
ALA A  81
GLY A  91
THR A  92
ALA A  79
 None
 1.02A 2f16V-1thmA:
undetectable
2f16W-1thmA:
undetectable		 2f16V-1thmA:
23.13
2f16W-1thmA:
23.02
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		5 GLN A 315
ALA A 314
GLY A  91
THR A 289
ALA A 290
 None
 1.13A 2f16V-1urdA:
undetectable
2f16W-1urdA:
undetectable		 2f16V-1urdA:
20.70
2f16W-1urdA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  56
ALA A 114
GLY A  77
THR A  78
ALA A 138
 None
 1.12A 2f16V-1x9eA:
undetectable
2f16W-1x9eA:
undetectable		 2f16V-1x9eA:
22.16
2f16W-1x9eA:
22.04
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.
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
 1.13A 2f16V-1yoaA:
undetectable
2f16W-1yoaA:
undetectable		 2f16V-1yoaA:
22.27
2f16W-1yoaA:
19.34
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 ALA A 285
ALA A 193
GLY A 192
ALA A 188
ASP A 248
 None
 1.15A 2f16V-2epgA:
undetectable
2f16W-2epgA:
undetectable		 2f16V-2epgA:
20.87
2f16W-2epgA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 2f16V-2fhgH:
25.0
2f16W-2fhgH:
24.0		 2f16V-2fhgH:
27.78
2f16W-2fhgH:
23.14
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.
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
 0.49A 2f16V-2fhgH:
25.0
2f16W-2fhgH:
24.0		 2f16V-2fhgH:
27.78
2f16W-2fhgH:
23.14
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 THR A 306
ALA A 299
GLY A 274
THR A 272
ALA A 271
 None
None
CA  A 401 ( 4.8A)
None
None
 1.00A 2f16V-2i44A:
3.5
2f16W-2i44A:
3.4		 2f16V-2i44A:
20.97
2f16W-2i44A:
18.86
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.
2msk NITROGEN REGULATION
PROTEIN NR(I)

(Salmonella
enterica) 		PF00072
(Response_reg) 		5 ALA A 113
ALA A  24
GLY A  25
ALA A  22
ASP A 109
 None
 1.17A 2f16V-2mskA:
undetectable
2f16W-2mskA:
undetectable		 2f16V-2mskA:
21.24
2f16W-2mskA:
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 THR A 136
ALA A 179
GLY A 138
THR A 141
ALA A 142
 None
 1.16A 2f16V-2pfkA:
undetectable
2f16W-2pfkA:
undetectable		 2f16V-2pfkA:
22.40
2f16W-2pfkA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 278
ALA A 231
GLY A 230
ALA A 204
ASP A 254
 None
None
None
K  A 401 (-4.7A)
None
 0.96A 2f16V-2rkbA:
undetectable
2f16W-2rkbA:
undetectable		 2f16V-2rkbA:
21.17
2f16W-2rkbA:
21.00
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.
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
 1.09A 2f16V-2rkvA:
undetectable
2f16W-2rkvA:
undetectable		 2f16V-2rkvA:
19.78
2f16W-2rkvA:
18.63
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.
2xz3 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ENVELOPE
GLYCOPROTEIN

(Bovine leukemia
virus;
Escherichia
coli) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		5 THR A 119
GLN A 351
ALA A 350
ALA A 329
ALA A 327
 None
 1.12A 2f16V-2xz3A:
undetectable
2f16W-2xz3A:
undetectable		 2f16V-2xz3A:
18.81
2f16W-2xz3A:
17.63
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.
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)
 1.14A 2f16V-3alrA:
undetectable
2f16W-3alrA:
undetectable		 2f16V-3alrA:
19.72
2f16W-3alrA:
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 SER A 130
ALA A 297
ALA A 124
GLY A 123
THR A 122
 None
None
LLP  A 271 ( 3.4A)
LLP  A 271 ( 3.6A)
None
 1.05A 2f16V-3b46A:
undetectable
2f16W-3b46A:
undetectable		 2f16V-3b46A:
18.57
2f16W-3b46A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.96A 2f16V-3bfjA:
undetectable
2f16W-3bfjA:
undetectable		 2f16V-3bfjA:
20.82
2f16W-3bfjA:
20.10
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.
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
 1.11A 2f16V-3csgA:
undetectable
2f16W-3csgA:
undetectable		 2f16V-3csgA:
18.61
2f16W-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.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1

(Arabidopsis
thaliana;
Escherichia
coli) 		PF00400
(WD40)
PF01547
(SBP_bac_1) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.18A 2f16V-3dm0A:
undetectable
2f16W-3dm0A:
undetectable		 2f16V-3dm0A:
15.88
2f16W-3dm0A:
14.62
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.
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
 1.14A 2f16V-3en0A:
undetectable
2f16W-3en0A:
undetectable		 2f16V-3en0A:
23.38
2f16W-3en0A:
21.28
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		5 SER A  23
ALA A  22
ALA A 113
GLY A 117
THR A 116
 None
 1.04A 2f16V-3er6A:
undetectable
2f16W-3er6A:
undetectable		 2f16V-3er6A:
22.13
2f16W-3er6A:
22.31
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 THR A 248
ALA A 297
ALA A 197
GLY A 335
THR A 336
 None
 1.12A 2f16V-3fjyA:
undetectable
2f16W-3fjyA:
undetectable		 2f16V-3fjyA:
21.67
2f16W-3fjyA:
18.85
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.
3ftt PUTATIVE
ACETYLTRANSFERASE
SACOL2570

(Staphylococcus
aureus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		5 ALA A  15
GLY A 129
THR A 111
ALA A 112
ASP A  70
 None
 1.08A 2f16V-3fttA:
undetectable
2f16W-3fttA:
undetectable		 2f16V-3fttA:
19.91
2f16W-3fttA:
24.41
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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 ALA A 314
GLY A 305
THR A 306
ALA A 307
CYH A 205
 None
 1.19A 2f16V-3g7kA:
undetectable
2f16W-3g7kA:
undetectable		 2f16V-3g7kA:
20.10
2f16W-3g7kA:
19.79
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.
3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7

(Dermatophagoides
pteronyssinus;
Escherichia
coli) 		PF13416
(SBP_bac_8)
PF16984
(Grp7_allergen) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.10A 2f16V-3h4zA:
undetectable
2f16W-3h4zA:
undetectable		 2f16V-3h4zA:
18.56
2f16W-3h4zA:
16.32
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.
3hjw PSEUDOURIDINE
SYNTHASE CBF5

(Pyrococcus
furiosus) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 GLN A 104
ALA A 105
GLY A  79
THR A 100
ALA A  95
 U  D  44 ( 3.3A)
None
C  D  41 ( 3.3A)
G  D  42 ( 4.3A)
None
 1.19A 2f16V-3hjwA:
undetectable
2f16W-3hjwA:
undetectable		 2f16V-3hjwA:
22.42
2f16W-3hjwA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 GLN A  95
ALA A  96
ALA A  52
GLY A  51
THR A  50
 None
 0.99A 2f16V-3hutA:
undetectable
2f16W-3hutA:
undetectable		 2f16V-3hutA:
21.36
2f16W-3hutA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 ALA A  62
ALA A 161
GLY A  97
THR A  96
ALA A  93
 None
 1.12A 2f16V-3hwwA:
undetectable
2f16W-3hwwA:
undetectable		 2f16V-3hwwA:
18.11
2f16W-3hwwA:
17.78
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 ALA A 242
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 1.09A 2f16V-3ktdA:
undetectable
2f16W-3ktdA:
undetectable		 2f16V-3ktdA:
21.78
2f16W-3ktdA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 SER A 101
ALA A 126
GLY A 127
THR A 128
ALA A 129
 None
 0.87A 2f16V-3ktdA:
undetectable
2f16W-3ktdA:
undetectable		 2f16V-3ktdA:
21.78
2f16W-3ktdA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kw7 LACCASE B

(Trametes sp.
AH28-2) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLN A 354
ALA A 359
ALA A 449
GLY A 450
ALA A 471
 None
 0.81A 2f16V-3kw7A:
undetectable
2f16W-3kw7A:
undetectable		 2f16V-3kw7A:
21.72
2f16W-3kw7A:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.65A 2f16V-3mg6N:
29.3
2f16W-3mg6N:
27.5		 2f16V-3mg6N:
31.05
2f16W-3mg6N:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.03A 2f16V-3myrA:
undetectable
2f16W-3myrA:
undetectable		 2f16V-3myrA:
19.32
2f16W-3myrA:
19.86
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 ALA A 253
ALA A 140
GLY A 141
THR A 142
ALA A 143
 None
None
None
NAD  A1385 (-3.7A)
None
 0.91A 2f16V-3ox4A:
undetectable
2f16W-3ox4A:
undetectable		 2f16V-3ox4A:
20.25
2f16W-3ox4A:
21.39
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) 		6 THR H   1
ALA H  27
LYS H  33
ALA H  46
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
None
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.46A 2f16V-3unfH:
35.7
2f16W-3unfH:
28.7		 2f16V-3unfH:
45.92
2f16W-3unfH:
23.92
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 THR A 131
ALA A 149
GLY A 150
THR A 151
ASP A 153
 None
 1.19A 2f16V-3v76A:
undetectable
2f16W-3v76A:
undetectable		 2f16V-3v76A:
19.76
2f16W-3v76A:
19.52
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 THR B 192
ALA B  82
ALA B  61
GLY B  58
THR B  59
 None
None
None
PLG  B 401 (-3.5A)
PLG  B 401 (-3.7A)
 1.18A 2f16V-3wlxB:
undetectable
2f16W-3wlxB:
undetectable		 2f16V-3wlxB:
21.39
2f16W-3wlxB:
21.52
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
ALA L  27
LYS L  33
ALA L  46
GLY L  47
ALA L  49
 None
 0.61A 2f16V-3wxrL:
28.8
2f16W-3wxrL:
25.4		 2f16V-3wxrL:
29.57
2f16W-3wxrL:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuh PROTEIN CBBX

(Rhodobacter
sphaeroides) 		PF00004
(AAA) 		5 THR A  78
ALA A  84
GLY A  74
THR A  73
ALA A 175
 ADP  A1299 (-4.2A)
None
None
None
None
 1.19A 2f16V-3zuhA:
undetectable
2f16W-3zuhA:
undetectable		 2f16V-3zuhA:
20.98
2f16W-3zuhA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.14A 2f16V-4b3nA:
undetectable
2f16W-4b3nA:
undetectable		 2f16V-4b3nA:
19.75
2f16W-4b3nA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 ALA A 284
ALA A 192
GLY A 191
ALA A 187
ASP A 247
 None
None
None
None
PO4  A 507 ( 4.9A)
 1.14A 2f16V-4dwqA:
undetectable
2f16W-4dwqA:
undetectable		 2f16V-4dwqA:
19.46
2f16W-4dwqA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN

(Escherichia
coli;
Mus musculus) 		PF07679
(I-set)
PF13416
(SBP_bac_8) 		5 THR A  94
GLN A 326
ALA A 325
ALA A 304
ALA A 302
 None
 1.10A 2f16V-4edqA:
undetectable
2f16W-4edqA:
undetectable		 2f16V-4edqA:
19.33
2f16W-4edqA:
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.
4egc MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HOMEOBOX PROTEIN
SIX1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		PF00046
(Homeobox)
PF13416
(SBP_bac_8)
PF16878
(SIX1_SD) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.17A 2f16V-4egcA:
undetectable
2f16W-4egcA:
undetectable		 2f16V-4egcA:
19.01
2f16W-4egcA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  28
LYS A  34
ALA A  47
GLY A  48
 None
 0.70A 2f16V-4ho7A:
21.2
2f16W-4ho7A:
20.4		 2f16V-4ho7A:
22.92
2f16W-4ho7A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i4q BEL-BETA TREFOIL

(Boletus edulis) 		no annotation 5 SER A 120
ALA A  17
ALA A 125
GLY A 124
THR A 123
 None
 1.06A 2f16V-4i4qA:
undetectable
2f16W-4i4qA:
undetectable		 2f16V-4i4qA:
24.41
2f16W-4i4qA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLN A 280
ALA A 276
ALA A 337
THR A 332
ASP A 315
 None
 1.16A 2f16V-4jcmA:
undetectable
2f16W-4jcmA:
undetectable		 2f16V-4jcmA:
16.13
2f16W-4jcmA:
14.62
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.
4kv3 CHIMERA FUSION
PROTEIN OF ESX-1
SECRETION SYSTEM
PROTEIN ECCD1 AND
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF08817
(YukD)
PF13416
(SBP_bac_8) 		5 THR A  94
GLN A 326
ALA A 325
ALA A 304
ALA A 302
 None
 1.14A 2f16V-4kv3A:
undetectable
2f16W-4kv3A:
undetectable		 2f16V-4kv3A:
19.14
2f16W-4kv3A:
18.32
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ALA A 552
ALA A 268
GLY A 269
THR A 270
ASP A 555
 None
 1.12A 2f16V-4nurA:
undetectable
2f16W-4nurA:
undetectable		 2f16V-4nurA:
16.61
2f16W-4nurA:
16.08
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.
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 2f16V-4qmeA:
undetectable
2f16W-4qmeA:
undetectable		 2f16V-4qmeA:
13.31
2f16W-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 2f16V-4qszA:
undetectable
2f16W-4qszA:
undetectable		 2f16V-4qszA:
15.03
2f16W-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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 THR A-278
GLN A -46
ALA A -47
ALA A -68
ALA A -70
 None
 1.13A 2f16V-4qszA:
undetectable
2f16W-4qszA:
undetectable		 2f16V-4qszA:
15.03
2f16W-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) 		6 THR K   1
ALA K  27
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.50A 2f16V-4qv9K:
29.1
2f16W-4qv9K:
25.6		 2f16V-4qv9K:
29.57
2f16W-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
 1.16A 2f16V-4r0yA:
undetectable
2f16W-4r0yA:
undetectable		 2f16V-4r0yA:
21.98
2f16W-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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 GLN A  30
ALA A  32
ALA A 186
GLY A 187
ALA A 189
 None
 1.17A 2f16V-4rasA:
undetectable
2f16W-4rasA:
undetectable		 2f16V-4rasA:
15.67
2f16W-4rasA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvi MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SIGNAL
PEPTIDASE IB

(Escherichia
coli;
Staphylococcus
aureus) 		PF00717
(Peptidase_S24)
PF13416
(SBP_bac_8) 		5 THR A  99
GLN A 331
ALA A 330
ALA A 309
ALA A 307
 None
 1.13A 2f16V-4wviA:
undetectable
2f16W-4wviA:
undetectable		 2f16V-4wviA:
19.24
2f16W-4wviA:
19.62
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.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.12A 2f16V-4xa2A:
undetectable
2f16W-4xa2A:
undetectable		 2f16V-4xa2A:
22.13
2f16W-4xa2A:
17.31
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.
5aza MALTOSE-BINDING
PERIPLASMIC
PROTEIN,OLIGOSACCHAR
YL TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Escherichia
coli;
Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.14A 2f16V-5azaA:
undetectable
2f16W-5azaA:
undetectable		 2f16V-5azaA:
13.52
2f16W-5azaA:
12.04
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens) 		PF04189
(Gcd10p) 		5 THR B 165
ALA B  36
ALA B 216
GLY B 215
THR B 241
 None
 1.11A 2f16V-5ccxB:
undetectable
2f16W-5ccxB:
undetectable		 2f16V-5ccxB:
17.50
2f16W-5ccxB:
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 THR D 193
ALA D 346
ALA D 190
GLY D 191
ALA D 188
 None
 1.18A 2f16V-5disD:
undetectable
2f16W-5disD:
undetectable		 2f16V-5disD:
17.50
2f16W-5disD:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 THR B 201
GLN B 433
ALA B 432
ALA B 411
ALA B 409
 None
 1.15A 2f16V-5eduB:
undetectable
2f16W-5eduB:
undetectable		 2f16V-5eduB:
15.05
2f16W-5eduB:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		6 GLN A 258
ALA A 254
ALA A 189
GLY A 230
THR A 233
ALA A 232
 None
 1.34A 2f16V-5ewqA:
undetectable
2f16W-5ewqA:
undetectable		 2f16V-5ewqA:
19.11
2f16W-5ewqA:
17.86
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
ALA H  27
LYS H  33
ALA H  46
GLY H  47
THR H  48
ALA H  49
 None
 0.62A 2f16V-5fg9H:
36.4
2f16W-5fg9H:
26.1		 2f16V-5fg9H:
98.23
2f16W-5fg9H:
23.72
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
ALA H  27
LYS H  33
ALA H  46
ALA H  49
 None
 0.77A 2f16V-5fg9H:
36.4
2f16W-5fg9H:
26.1		 2f16V-5fg9H:
98.23
2f16W-5fg9H:
23.72
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 ALA I  27
LYS I  33
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.06A 2f16V-5fmgI:
30.1
2f16W-5fmgI:
26.5		 2f16V-5fmgI:
48.70
2f16W-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) 		6 THR I   1
ALA I  27
ALA I  46
GLY I  47
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 ( 3.8A)
None
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 0.83A 2f16V-5fmgI:
30.1
2f16W-5fmgI:
26.5		 2f16V-5fmgI:
48.70
2f16W-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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR C 285
ALA C 636
ALA C 319
GLY C 357
ALA C 355
 None
 1.01A 2f16V-5g5gC:
undetectable
2f16W-5g5gC:
undetectable		 2f16V-5g5gC:
15.67
2f16W-5g5gC:
13.91
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.
5gpq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 THR A  94
GLN A 326
ALA A 325
ALA A 304
ALA A 302
 None
 1.08A 2f16V-5gpqA:
undetectable
2f16W-5gpqA:
undetectable		 2f16V-5gpqA:
22.11
2f16W-5gpqA:
18.08
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 GLN A 420
ALA A 419
ALA A 217
GLY A 221
ALA A 243
 None
 1.03A 2f16V-5hzwA:
undetectable
2f16W-5hzwA:
undetectable		 2f16V-5hzwA:
16.72
2f16W-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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 THR A 148
GLN A 380
ALA A 379
ALA A 358
ALA A 356
 None
 1.19A 2f16V-5hzwA:
undetectable
2f16W-5hzwA:
undetectable		 2f16V-5hzwA:
16.72
2f16W-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.
5ii5 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		5 THR A3760
GLN A3992
ALA A3991
ALA A3970
ALA A3968
 None
PGE  A4204 (-4.6A)
PGE  A4204 (-3.2A)
None
None
 1.13A 2f16V-5ii5A:
undetectable
2f16W-5ii5A:
undetectable		 2f16V-5ii5A:
20.28
2f16W-5ii5A:
17.38
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.
5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Escherichia
coli;
Mus musculus) 		PF00027
(cNMP_binding)
PF13416
(SBP_bac_8) 		5 THR A-276
GLN A -44
ALA A -45
ALA A -66
ALA A -68
 None
 1.15A 2f16V-5jonA:
undetectable
2f16W-5jonA:
undetectable		 2f16V-5jonA:
19.84
2f16W-5jonA:
18.00
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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  27
LYS K  33
ALA K  46
GLY K  47
ALA K  49
 None
 0.68A 2f16V-5l5wK:
29.0
2f16W-5l5wK:
25.4		 2f16V-5l5wK:
29.91
2f16W-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.
5lox PEPTIDASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A   1
ALA A  28
LYS A  32
ALA A  49
GLY A  50
 None
 1.12A 2f16V-5loxA:
20.3
2f16W-5loxA:
20.5		 2f16V-5loxA:
24.90
2f16W-5loxA:
24.69
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.
5ly9 VARIANT SURFACE
GLYCOPROTEIN MITAT
1.1

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 ALA A  10
LYS A   1
GLY A 175
THR A 228
ALA A 227
 None
 1.18A 2f16V-5ly9A:
undetectable
2f16W-5ly9A:
undetectable		 2f16V-5ly9A:
22.57
2f16W-5ly9A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  28
LYS K  33
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.6A)
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 1.04A 2f16V-5m2bK:
29.6
2f16W-5m2bK:
25.8		 2f16V-5m2bK:
28.57
2f16W-5m2bK:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  28
LYS A  32
ALA A  49
GLY A  50
 None
 1.09A 2f16V-5nyjA:
5.3
2f16W-5nyjA:
20.9		 2f16V-5nyjA:
25.19
2f16W-5nyjA:
24.11
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.
5osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ZONA
PELLUCIDA
SPERM-BINDING
PROTEIN 3

(Escherichia
coli;
Mus musculus) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		5 THR A  94
GLN A 326
ALA A 325
ALA A 304
ALA A 302
 None
 1.06A 2f16V-5osqA:
undetectable
2f16W-5osqA:
undetectable		 2f16V-5osqA:
18.47
2f16W-5osqA:
17.60
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.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
ALA R  27
LYS R  33
ALA R  46
GLY R  47
 None
 0.91A 2f16V-5t0gR:
26.8
2f16W-5t0gR:
24.1		 2f16V-5t0gR:
27.68
2f16W-5t0gR:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2f16V-5t0gR:
26.8
2f16W-5t0gR:
24.1		 2f16V-5t0gR:
27.68
2f16W-5t0gR:
23.42
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) 		6 THR O   1
LYS O  33
ALA O  46
GLY O  47
THR O  48
ALA O  49
 None
 0.81A 2f16V-5t0hO:
29.7
2f16W-5t0hO:
26.2		 2f16V-5t0hO:
55.79
2f16W-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.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		5 THR A  93
GLN A 325
ALA A 324
ALA A 303
ALA A 301
 None
 1.14A 2f16V-5tj2A:
undetectable
2f16W-5tj2A:
undetectable		 2f16V-5tj2A:
19.20
2f16W-5tj2A:
16.85
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.
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
 1.16A 2f16V-5tvgA:
undetectable
2f16W-5tvgA:
undetectable		 2f16V-5tvgA:
22.01
2f16W-5tvgA:
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.
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
 1.14A 2f16V-5ux5A:
undetectable
2f16W-5ux5A:
undetectable		 2f16V-5ux5A:
13.16
2f16W-5ux5A:
10.31
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 THR R   1
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.65A 2f16V-5vfrR:
27.4
2f16W-5vfrR:
25.0		 2f16V-5vfrR:
undetectable
2f16W-5vfrR:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vwk PROTEIN SCRIBBLE
HOMOLOG

(Homo sapiens) 		no annotation 5 ALA A 772
ALA A 803
GLY A 804
THR A 805
ALA A 806
 None
 1.08A 2f16V-5vwkA:
undetectable
2f16W-5vwkA:
undetectable		 2f16V-5vwkA:
21.67
2f16W-5vwkA:
22.38
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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 THR A  94
GLN A 326
ALA A 325
ALA A 304
ALA A 302
 None
 1.18A 2f16V-5wq6A:
undetectable
2f16W-5wq6A:
undetectable		 2f16V-5wq6A:
20.54
2f16W-5wq6A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wxi EARP

(Neisseria
meningitidis) 		no annotation 5 GLN A 231
ALA A 229
ALA A 211
GLY A 212
THR A 213
 None
None
TRH  A 401 (-3.6A)
SO4  A 408 (-3.4A)
SO4  A 408 (-3.3A)
 0.97A 2f16V-5wxiA:
undetectable
2f16W-5wxiA:
undetectable		 2f16V-5wxiA:
18.13
2f16W-5wxiA:
16.11
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 SER A  88
ALA A  89
ALA A 468
GLY A 467
ALA A 463
 None
 1.11A 2f16V-5ya1A:
undetectable
2f16W-5ya1A:
undetectable		 2f16V-5ya1A:
15.32
2f16W-5ya1A:
14.71
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
ALA B  27
LYS B  33
ALA B  46
GLY B  47
ALA B  49
 None
 0.79A 2f16V-6avoB:
22.0
2f16W-6avoB:
20.4		 2f16V-6avoB:
43.40
2f16W-6avoB:
19.19
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.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 THR C 167
ALA C 255
GLY C 235
THR C 236
ALA C 247
 None
 1.15A 2f16V-6cajC:
undetectable
2f16W-6cajC:
undetectable		 2f16V-6cajC:
15.56
2f16W-6cajC:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 THR A 273
ALA A 352
ALA A 235
GLY A 237
ASP A  46
 None
 1.07A 2f16V-6cboA:
undetectable
2f16W-6cboA:
undetectable		 2f16V-6cboA:
14.55
2f16W-6cboA:
16.49
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.
6dm8 -

(-) 		no annotation 5 THR A-122
GLN A 110
ALA A 109
ALA A  88
ALA A  86
 None
6AK  A 403 (-4.0A)
6AK  A 403 (-3.4A)
None
6AK  A 403 ( 4.4A)
 1.14A 2f16V-6dm8A:
undetectable
2f16W-6dm8A:
undetectable		 2f16V-6dm8A:
undetectable
2f16W-6dm8A:
undetectable