SIMILAR PATTERNS OF AMINO ACIDS FOR 3S43_A_478A401

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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ASP A 229
ILE A 228
VAL A 263
GLY A   8
ILE A 155
 None
 0.92A 3s43A-1b0aA:
undetectable		 3s43A-1b0aA:
16.91
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.
1bqy PLASMINOGEN
ACTIVATOR

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		5 ALA A 183
ILE A 138
VAL A 213
GLY A 216
ILE A 160
 None
None
None
0GJ  A   1 (-3.5A)
None
 0.99A 3s43A-1bqyA:
undetectable		 3s43A-1bqyA:
16.53
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 ILE A 413
GLY A 402
ILE A 401
ILE A 114
ILE A 414
 None
 0.91A 3s43A-1ddzA:
undetectable		 3s43A-1ddzA:
11.61
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.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 ALA A  78
ILE A  63
VAL A  71
GLY A  95
ILE A  86
 None
 1.00A 3s43A-1drkA:
undetectable		 3s43A-1drkA:
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.
1fr9 MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN

(Escherichia
coli) 		PF12804
(NTP_transf_3) 		5 ALA A  42
VAL A  11
GLY A   9
ILE A   7
ILE A 105
 None
 0.93A 3s43A-1fr9A:
undetectable		 3s43A-1fr9A:
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.
1hf2 SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Thermotoga
maritima) 		PF03775
(MinC_C) 		5 ALA A 134
ILE A 148
VAL A 160
ILE A 108
ILE A 132
 None
 0.95A 3s43A-1hf2A:
undetectable		 3s43A-1hf2A:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.67A 3s43A-1hvcA:
14.1		 3s43A-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.36A 3s43A-1hvcA:
14.1		 3s43A-1hvcA:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.42A 3s43A-1hvcA:
14.1		 3s43A-1hvcA:
44.83
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 ASP A  69
ILE A  70
GLY A  18
ILE A  17
ILE A 362
 None
 0.91A 3s43A-1lxyA:
undetectable		 3s43A-1lxyA:
13.92
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		5 ALA A 183
ILE A 138
VAL A 213
GLY A 216
ILE A 160
 None
 0.98A 3s43A-1op2A:
undetectable		 3s43A-1op2A:
18.38
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.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 5 ALA A  34
ILE A  15
VAL A  43
ILE A 112
ILE A  76
 None
 0.89A 3s43A-1rvvA:
undetectable		 3s43A-1rvvA:
26.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
ILE A  82
ILE A  84
 None
 0.55A 3s43A-1sivA:
18.4		 3s43A-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ILE A  32
GLY A  48
ILE A  82
ILE A  84
 None
 0.91A 3s43A-1sivA:
18.4		 3s43A-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  82
ILE A  84
 None
 0.37A 3s43A-1sivA:
18.4		 3s43A-1sivA:
53.54
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE

(Mycobacterium
bovis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 150
ILE A 178
VAL A 190
GLY A 163
ILE A 152
 None
 0.95A 3s43A-1tdtA:
undetectable		 3s43A-1tdtA:
16.28
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ILE A 315
GLY A 363
ILE A  31
ILE A   5
ILE A 283
 None
 0.99A 3s43A-1to6A:
undetectable		 3s43A-1to6A:
16.57
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		5 ALA A 175
ILE A 190
VAL A 209
ILE A 153
ILE A 155
 None
 0.95A 3s43A-1wkyA:
undetectable		 3s43A-1wkyA:
12.64
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 ASP A 236
ILE A 238
GLY A 194
ILE A 195
ILE A 303
 None
 1.00A 3s43A-2aniA:
undetectable		 3s43A-2aniA:
14.12
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 238
GLY A 194
ILE A 195
ILE A 257
ILE A 303
 None
 0.93A 3s43A-2aniA:
undetectable		 3s43A-2aniA:
14.12
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.
2b0r POSSIBLE ADENYL
CYCLASE-ASSOCIATED
PROTEIN

(Cryptosporidium
parvum) 		PF08603
(CAP_C) 		5 ILE A  94
VAL A  87
ILE A 103
ILE A 115
ILE A 113
 None
 0.74A 3s43A-2b0rA:
undetectable		 3s43A-2b0rA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 ILE A 165
GLY A 169
ILE A 170
ILE A 152
ILE A 120
 None
 0.99A 3s43A-2btyA:
undetectable		 3s43A-2btyA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE

(Mycobacterium
tuberculosis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ASP A 230
ILE A 229
VAL A 262
GLY A   8
ILE A 154
 None
 0.87A 3s43A-2c2yA:
undetectable		 3s43A-2c2yA:
18.52
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.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ALA A 113
ASP A 104
GLY A  85
ILE A  95
ILE A 112
 None
BT5  A1301 (-3.3A)
None
None
None
 0.97A 3s43A-2djzA:
undetectable		 3s43A-2djzA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 ILE 1  49
VAL 1  16
ILE 1  36
ILE 1  56
ILE 1  47
 None
 1.00A 3s43A-2ijd1:
2.4		 3s43A-2ijd1:
10.58
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.
2jrz HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF01388
(ARID) 		5 ASP A  61
ILE A  58
GLY A  80
ILE A  79
ILE A  48
 None
 0.98A 3s43A-2jrzA:
undetectable		 3s43A-2jrzA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 178
ASP A 179
VAL A 147
ILE A 152
ILE A  86
 None
BGC  A 458 (-2.4A)
None
None
None
 0.99A 3s43A-2pokA:
undetectable		 3s43A-2pokA:
12.37
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.
2qq1 MOLYBDENUM COFACTOR
BIOSYNTHESIS MOG

(Aquifex
aeolicus) 		PF00994
(MoCF_biosynth) 		5 ALA A   6
ILE A  38
GLY A   9
ILE A  72
ILE A 164
 None
 0.71A 3s43A-2qq1A:
undetectable		 3s43A-2qq1A:
22.41
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.
2qvo UNCHARACTERIZED
PROTEIN AF_1382

(Archaeoglobus
fulgidus) 		no annotation 5 ILE A  71
GLY A  77
ILE A  80
ILE A  17
ILE A  51
 None
 0.97A 3s43A-2qvoA:
undetectable		 3s43A-2qvoA:
25.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  32
VAL A  47
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 ( 4.2A)
 0.60A 3s43A-2rkfA:
20.8		 3s43A-2rkfA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.55A 3s43A-2rkfA:
20.8		 3s43A-2rkfA:
83.84
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.
2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Methanothermobacter
thermautotrophicus) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 ALA A 114
ASP A 134
ILE A 133
ILE A 156
ILE A 110
 None
IMD  A1288 (-3.8A)
None
None
None
 0.97A 3s43A-2vd3A:
undetectable		 3s43A-2vd3A:
17.23
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.
2yqe JUMONJI/ARID
DOMAIN-CONTAINING
PROTEIN 1D

(Homo sapiens) 		PF01388
(ARID) 		5 ASP A 131
ILE A 128
GLY A 150
ILE A 149
ILE A 118
 None
 0.98A 3s43A-2yqeA:
undetectable		 3s43A-2yqeA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 ALA A 211
GLY A 217
ILE A 218
ILE A 256
ILE A 204
 None
None
CA  A1004 (-4.8A)
None
None
 0.95A 3s43A-2z2zA:
undetectable		 3s43A-2z2zA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA A 134
ILE A 139
ILE A 162
ILE A 110
ILE A 118
 None
 0.99A 3s43A-3acpA:
undetectable		 3s43A-3acpA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 ALA A   7
ILE A 113
VAL A 136
GLY A  10
ILE A 122
 None
None
None
FAD  A 500 (-3.3A)
None
 0.99A 3s43A-3d1cA:
undetectable		 3s43A-3d1cA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 157
ILE A 185
VAL A 197
GLY A 170
ILE A 159
 None
 0.98A 3s43A-3eg4A:
undetectable		 3s43A-3eg4A:
16.12
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 ALA A 114
ASP A  17
GLY A  13
ILE A  44
ILE A  19
 None
 0.90A 3s43A-3f8rA:
undetectable		 3s43A-3f8rA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l07 BIFUNCTIONAL PROTEIN
FOLD

(Francisella
tularensis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ASP A 228
ILE A 227
VAL A 261
GLY A   6
ILE A 154
 None
 0.82A 3s43A-3l07A:
undetectable		 3s43A-3l07A:
17.83
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.
3lrv PRE-MRNA-SPLICING
FACTOR 19

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 488
ASP A 478
GLY A 485
ILE A 447
ILE A 436
 None
 0.96A 3s43A-3lrvA:
undetectable		 3s43A-3lrvA:
16.83
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 VAL A  58
GLY A  18
ILE A  19
ILE A  39
ILE A  70
 None
 0.84A 3s43A-3mkqA:
undetectable		 3s43A-3mkqA:
9.99
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 ILE A 290
VAL A  65
GLY A 435
ILE A 436
ILE A 289
 None
 0.93A 3s43A-3mp7A:
undetectable		 3s43A-3mp7A:
12.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
 0.46A 3s43A-3mwsA:
20.1		 3s43A-3mwsA:
76.77
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ALA A 366
GLY A 472
ILE A 413
ILE A 464
ILE A 299
 None
 0.89A 3s43A-3nlcA:
undetectable		 3s43A-3nlcA:
11.48
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		6 ILE A 296
VAL A 532
GLY A 527
ILE A 524
ILE A 312
ILE A 316
 None
 1.48A 3s43A-3nvaA:
undetectable		 3s43A-3nvaA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		5 ALA A 202
ILE A  33
GLY A 156
ILE A 247
ILE A 245
 None
 0.95A 3s43A-3o0kA:
undetectable		 3s43A-3o0kA:
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.
3o1h PERIPLASMIC PROTEIN
TORT

(Vibrio
parahaemolyticus) 		PF00532
(Peripla_BP_1) 		6 ALA B 165
ASP B 196
ILE B 194
GLY B 225
ILE B 192
ILE B 164
 None
 1.44A 3s43A-3o1hB:
undetectable		 3s43A-3o1hB:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		5 ALA A 181
ILE A 135
VAL A 209
GLY A 212
ILE A 157
 None
 0.95A 3s43A-3s69A:
undetectable		 3s43A-3s69A:
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ALA A 183
ILE A 138
VAL A 213
GLY A 216
ILE A 160
 None
 0.93A 3s43A-3s9bA:
undetectable		 3s43A-3s9bA:
19.92
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 ALA A  25
VAL A 144
GLY A 189
ILE A 129
ILE A 127
 None
 0.87A 3s43A-3stiA:
undetectable		 3s43A-3stiA:
18.41
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.
3tk8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Burkholderia
pseudomallei) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 189
ILE A 217
VAL A 229
GLY A 202
ILE A 191
 None
 0.90A 3s43A-3tk8A:
undetectable		 3s43A-3tk8A:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.65A 3s43A-3ttpA:
19.7		 3s43A-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ILE A  32
GLY A  48
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
None
017  A 201 (-4.7A)
 0.84A 3s43A-3ttpA:
19.7		 3s43A-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.57A 3s43A-3u7sA:
19.9		 3s43A-3u7sA:
75.76
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.
3uiz CHIMERA PROTEIN OF
SEFD AND SEFA

(Salmonella
enterica) 		PF05775
(AfaD) 		5 ASP A 106
ILE A 138
ILE A  95
ILE A  18
ILE A 103
 None
 0.92A 3s43A-3uizA:
undetectable		 3s43A-3uizA:
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.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 5 ALA A 620
ILE A 639
ILE A 605
ILE A 624
ILE A 622
 None
 0.97A 3s43A-3vu1A:
undetectable		 3s43A-3vu1A:
12.63
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.
4a6o ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 ALA A1318
ILE A1231
VAL A1217
GLY A1219
ILE A1336
 None
 0.88A 3s43A-4a6oA:
undetectable		 3s43A-4a6oA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
GLY A 130
ILE A 135
ILE A 144
 None
 0.98A 3s43A-4c30A:
undetectable		 3s43A-4c30A:
11.36
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.
4cem REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		5 ILE A 344
GLY A 276
ILE A 277
ILE A 287
ILE A 319
 None
 0.99A 3s43A-4cemA:
undetectable		 3s43A-4cemA:
14.04
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		6 ALA A  17
ILE A  37
VAL A  49
ILE A  12
ILE A   7
ILE A  19
 None
 1.16A 3s43A-4e6uA:
undetectable		 3s43A-4e6uA:
19.60
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 ALA A 113
ILE A 128
VAL A 185
ILE A 202
ILE A 144
 None
 0.98A 3s43A-4g4iA:
undetectable		 3s43A-4g4iA:
12.35
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.
4gso THROMBIN-LIKE ENZYME
BJUSSUSP-1

(Bothrops
jararacussu) 		PF00089
(Trypsin) 		5 ALA A 164
ILE A 119
VAL A 192
GLY A 195
ILE A 141
 None
 0.78A 3s43A-4gsoA:
undetectable		 3s43A-4gsoA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 ALA A  42
ILE A 303
VAL A 327
GLY A  45
ILE A 312
 None
None
None
FAD  A 601 (-3.1A)
None
 1.00A 3s43A-4iv9A:
undetectable		 3s43A-4iv9A:
10.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j73 COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL A  58
GLY A  18
ILE A  19
ILE A  39
ILE A  70
 None
 0.80A 3s43A-4j73A:
undetectable		 3s43A-4j73A:
15.81
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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  27
ILE A  11
ILE A  19
ILE A  38
ILE A  35
 None
None
NAD  A 401 (-4.0A)
None
None
 0.95A 3s43A-4lsmA:
undetectable		 3s43A-4lsmA:
17.23
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 ILE A  45
GLY A   7
ILE A  76
ILE A 315
ILE A   4
 None
 0.96A 3s43A-4mptA:
undetectable		 3s43A-4mptA:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.41A 3s43A-4njvA:
21.0		 3s43A-4njvA:
81.82
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.92A 3s43A-4nkyA:
undetectable		 3s43A-4nkyA:
12.81
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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 ALA A 122
ILE A 234
GLY A 115
ILE A 116
ILE A 230
 None
 0.91A 3s43A-4oseA:
undetectable		 3s43A-4oseA:
17.23
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 ASP A 215
ILE A 217
GLY A 174
ILE A 149
ILE A 208
 GD  A 402 (-2.4A)
None
None
None
None
 0.96A 3s43A-4phbA:
undetectable		 3s43A-4phbA:
14.54
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.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A 144
ILE A 122
GLY A 129
ILE A 138
ILE A 140
 None
 0.82A 3s43A-4r37A:
undetectable		 3s43A-4r37A:
23.76
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		5 ALA A 334
GLY A 386
ILE A 387
ILE A 353
ILE A 343
 None
 0.79A 3s43A-4rmlA:
undetectable		 3s43A-4rmlA:
15.89
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.
4rzl RESTRICTION
ENDONUCLEASE LPNPI

(Legionella
pneumophila) 		no annotation 6 ILE A 190
VAL A 185
GLY A 143
ILE A 126
ILE A  40
ILE A  37
 None
 1.44A 3s43A-4rzlA:
undetectable		 3s43A-4rzlA:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  56
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.56A 3s43A-4ydfA:
13.0		 3s43A-4ydfA:
33.04
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 ILE A 351
GLY A 271
ILE A 274
ILE A 292
ILE A 339
 None
 1.00A 3s43A-5a22A:
undetectable		 3s43A-5a22A:
4.71
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		6 ALA A 154
VAL A 140
GLY A 137
ILE A 136
ILE A  89
ILE A 106
 None
 1.08A 3s43A-5cejA:
undetectable		 3s43A-5cejA:
18.33
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		5 ALA E 266
GLY E 318
ILE E 319
ILE E 285
ILE E 275
 None
 0.69A 3s43A-5cmnE:
undetectable		 3s43A-5cmnE:
17.18
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.
5f42 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Francisella
tularensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  60
ILE A  93
ILE A  86
ILE A  50
ILE A  62
 None
 0.86A 3s43A-5f42A:
undetectable		 3s43A-5f42A:
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.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		5 ILE A 863
VAL A 838
GLY A 840
ILE A 847
ILE A 765
 None
 0.95A 3s43A-5fbuA:
undetectable		 3s43A-5fbuA:
7.81
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		5 ALA C 334
GLY C 386
ILE C 387
ILE C 353
ILE C 343
 None
 0.85A 3s43A-5fttC:
undetectable		 3s43A-5fttC:
15.22
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.
5g47 SFTSV GC

(SFTS
phlebovirus) 		PF07245
(Phlebovirus_G2) 		5 ALA A 815
ILE A 807
VAL A 712
GLY A 681
ILE A 824
 None
 0.94A 3s43A-5g47A:
undetectable		 3s43A-5g47A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1c DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ALA A 224
GLY A 288
ILE A 291
ILE A 122
ILE A 265
 None
 0.88A 3s43A-5h1cA:
undetectable		 3s43A-5h1cA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		5 ALA A  95
VAL A  14
GLY A  16
ILE A  17
ILE A  87
 None
 0.75A 3s43A-5in2A:
undetectable		 3s43A-5in2A:
18.52
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		5 ILE A 557
VAL A 259
GLY A 257
ILE A 285
ILE A 306
 None
 0.92A 3s43A-5iw7A:
undetectable		 3s43A-5iw7A:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6c PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  37
ILE A  33
ILE A  52
ILE A 152
ILE A 105
 None
 0.95A 3s43A-5j6cA:
undetectable		 3s43A-5j6cA:
21.08
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.
5j6c PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  81
ILE A 119
ILE A  61
ILE A 136
ILE A 151
 None
FMN  A 201 (-4.8A)
None
None
None
 0.96A 3s43A-5j6cA:
undetectable		 3s43A-5j6cA:
21.08
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 144
GLY A 146
ILE A 147
ILE A 152
ILE A 179
 None
 0.98A 3s43A-5npyA:
undetectable		 3s43A-5npyA:
9.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
 0.44A 3s43A-5t2zA:
20.0		 3s43A-5t2zA:
77.78
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.
5tc4 BIFUNCTIONAL
METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE/CYCLOH
YDROLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ASP A 273
ILE A 272
VAL A 312
GLY A  42
ILE A 189
 None
None
NAD  A 401 ( 4.3A)
None
None
 0.93A 3s43A-5tc4A:
undetectable		 3s43A-5tc4A:
12.62
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		5 ILE A 369
GLY A 390
ILE A 392
ILE A 400
ILE A 355
 None
 0.97A 3s43A-5ts5A:
undetectable		 3s43A-5ts5A:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4l ADENYLOSUCCINATE
LYASE

(Cryptococcus
neoformans) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ILE A 271
VAL A 161
ILE A 169
ILE A 351
ILE A 262
 None
 1.00A 3s43A-5v4lA:
undetectable		 3s43A-5v4lA:
11.27
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		5 ILE A 301
VAL A 326
GLY A 323
ILE A 299
ILE A 300
 None
 0.97A 3s43A-5xe0A:
undetectable		 3s43A-5xe0A:
12.44
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.
5y9p -

(-) 		no annotation 5 ASP A 170
ILE A 169
ILE A 151
ILE A 157
ILE A  77
 None
 0.95A 3s43A-5y9pA:
undetectable		 3s43A-5y9pA:
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ALA A 993
ASP A 995
GLY A 923
ILE A 925
ILE A 989
 None
 0.93A 3s43A-6b3eA:
undetectable		 3s43A-6b3eA:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 675
ILE A 524
GLY A 668
ILE A 690
ILE A 701
 None
 0.90A 3s43A-6ekvA:
undetectable		 3s43A-6ekvA:
9.86
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.
6elu VSG PROTEIN
SERUM RESISTANCE
ASSOCIATED

(Trypanosoma
brucei) 		no annotation 5 ALA A 120
ILE A 130
GLY A  52
ILE A  53
ILE A 115
 None
 1.00A 3s43A-6eluA:
undetectable		 3s43A-6eluA:
17.35
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.
6eoj POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2

(Saccharomyces
cerevisiae) 		no annotation 5 ALA D 175
ILE D 180
ILE D 203
ILE D 151
ILE D 159
 None
 0.88A 3s43A-6eojD:
undetectable		 3s43A-6eojD:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  32
VAL A  47
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
NIU  A 100 (-4.6A)
None
 0.69A 3s43A-6upjA:
17.8		 3s43A-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 (-4.6A)
None
 0.81A 3s43A-6upjA:
17.8		 3s43A-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  47
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.73A 3s43A-6upjA:
17.8		 3s43A-6upjA:
52.53
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.52A 3s43B-1cziE:
6.5		 3s43B-1cziE:
17.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.23A 3s43B-1hvcA:
13.8		 3s43B-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.23A 3s43B-1hvcA:
13.8		 3s43B-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.39A 3s43B-1hvcA:
13.8		 3s43B-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.43A 3s43B-1hvcA:
13.8		 3s43B-1hvcA:
45.32
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.78A 3s43B-1l5jA:
undetectable		 3s43B-1l5jA:
9.65
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.85A 3s43B-1mppA:
7.0		 3s43B-1mppA:
14.68
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.69A 3s43B-1mppA:
7.0		 3s43B-1mppA:
14.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
 0.48A 3s43B-1q9pA:
10.3		 3s43B-1q9pA:
96.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.24A 3s43B-1sivA:
18.2		 3s43B-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.45A 3s43B-1sivA:
18.2		 3s43B-1sivA:
53.54
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 244
ALA A 243
ILE A 259
GLY A 250
ILE A 143
 SO4  A 373 (-3.5A)
SO4  A 373 ( 4.2A)
None
None
None
 0.86A 3s43B-1to6A:
undetectable		 3s43B-1to6A:
16.57
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.
1uty NON-STRUCTURAL
PROTEIN 2

(Bluetongue
virus) 		PF04514
(BTV_NS2) 		5 ASP A  73
ILE A  75
GLY A  55
ILE A 119
ILE A  68
 None
 1.02A 3s43B-1utyA:
undetectable		 3s43B-1utyA:
22.28
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 GLY A 235
ILE A 347
VAL A 206
GLY A 208
ILE A 343
 None
 0.90A 3s43B-1vheA:
undetectable		 3s43B-1vheA:
14.94
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.
1vio RIBOSOMAL SMALL
SUBUNIT
PSEUDOURIDINE
SYNTHASE A

(Haemophilus
influenzae) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		5 LEU A  54
ILE A  29
VAL A  39
GLY A  37
ILE A  47
 None
 1.00A 3s43B-1vioA:
undetectable		 3s43B-1vioA:
17.92
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 LEU A   9
ALA A 168
VAL A 129
GLY A 162
ILE A 179
 None
None
None
SO4  A 301 (-3.3A)
None
 1.03A 3s43B-1xi3A:
undetectable		 3s43B-1xi3A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 ALA A 219
ILE A 160
VAL A 300
ILE A 199
ILE A 156
 None
 1.02A 3s43B-1xkgA:
undetectable		 3s43B-1xkgA:
14.33
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLY A 211
ALA A 210
ILE A 125
GLY A 155
ILE A  41
 None
 0.70A 3s43B-1y7wA:
undetectable		 3s43B-1y7wA:
13.45
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 GLY A 260
ALA A 261
ILE A 171
VAL A 236
GLY A 234
 None
 0.98A 3s43B-2aafA:
undetectable		 3s43B-2aafA:
12.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  55
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.27A 3s43B-2fmbA:
14.9		 3s43B-2fmbA:
30.77
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 145
GLY A 189
ALA A 188
ILE A 167
GLY A 185
 None
 0.99A 3s43B-2obyA:
undetectable		 3s43B-2obyA:
13.31
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 250
GLY A 136
ALA A 135
ILE A 127
ILE A 261
 None
 0.90A 3s43B-2p2sA:
undetectable		 3s43B-2p2sA:
14.29
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 349
GLY A 334
ALA A 319
VAL A 304
ILE A 331
 None
 0.94A 3s43B-2qkxA:
undetectable		 3s43B-2qkxA:
13.81
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
GLY A  57
ILE A 280
 None
 0.75A 3s43B-2ri6A:
undetectable		 3s43B-2ri6A:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.50A 3s43B-2rkfA:
20.1		 3s43B-2rkfA:
84.85
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 ASP A 237
GLY A 239
ILE A 244
GLY A  83
ILE A 329
 None
 0.90A 3s43B-2rmpA:
6.0		 3s43B-2rmpA:
13.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A  44
ILE A 108
 None
 0.37A 3s43B-2rspA:
12.7		 3s43B-2rspA:
33.60
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.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 LEU A   9
GLY A 132
ILE A   5
VAL A 109
ILE A   7
 None
 0.96A 3s43B-2v7yA:
undetectable		 3s43B-2v7yA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.81A 3s43B-2wskA:
undetectable		 3s43B-2wskA:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynt GIM-1 PROTEIN

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 GLY B 195
ILE B 249
VAL B 202
GLY B 220
ILE B 246
 None
 0.85A 3s43B-2yntB:
undetectable		 3s43B-2yntB:
20.34
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 275
ALA A 274
ILE A 133
VAL A 119
ILE A 297
 None
 1.01A 3s43B-2yquA:
undetectable		 3s43B-2yquA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 282
ILE A 344
VAL A 334
ILE A 361
ILE A 343
 NAD  A 550 ( 3.7A)
None
None
NAD  A 550 (-4.4A)
NAD  A 550 (-4.7A)
 0.96A 3s43B-3ce6A:
undetectable		 3s43B-3ce6A:
11.34
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.
3d6r NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		no annotation 5 GLY B 184
ILE B 128
VAL B 157
ILE B 160
ILE B 192
 None
 1.01A 3s43B-3d6rB:
undetectable		 3s43B-3d6rB:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6s ALLERGEN DER F I

(Dermatophagoides
farinae) 		PF00112
(Peptidase_C1) 		5 ALA A 140
ILE A  81
VAL A 221
ILE A 120
ILE A  77
 None
 1.00A 3s43B-3d6sA:
undetectable		 3s43B-3d6sA:
20.85
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.80A 3s43B-3e4eA:
undetectable		 3s43B-3e4eA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 712
ALA A 711
ILE A 665
GLY A 748
ILE A 661
 None
 0.83A 3s43B-3hkzA:
undetectable		 3s43B-3hkzA:
8.31
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		5 LEU A  76
GLY A 200
ALA A 199
ILE A  83
GLY A 193
 None
 0.89A 3s43B-3k2wA:
undetectable		 3s43B-3k2wA:
11.27
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 GLY A 268
ILE A  15
GLY A 262
ILE A 261
ILE A 232
 None
 1.00A 3s43B-3khjA:
undetectable		 3s43B-3khjA:
15.88
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 LEU A 105
ILE A 113
GLY A  35
ILE A  36
ILE A 108
 None
 0.85A 3s43B-3l49A:
undetectable		 3s43B-3l49A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		5 LEU A 251
ALA A 255
ASP A 246
ILE A 319
ILE A 248
 None
 1.00A 3s43B-3mdoA:
undetectable		 3s43B-3mdoA:
14.61
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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		5 LEU A 251
GLY A 256
ALA A 255
ILE A 319
ILE A 248
 None
 1.01A 3s43B-3mdoA:
undetectable		 3s43B-3mdoA:
14.61
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.
3mmz PUTATIVE HAD FAMILY
HYDROLASE

(Streptomyces
avermitilis) 		PF08282
(Hydrolase_3) 		5 GLY A 146
ILE A 154
VAL A 125
GLY A 109
ILE A 151
 None
 0.91A 3s43B-3mmzA:
undetectable		 3s43B-3mmzA:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.27A 3s43B-3mwsA:
19.3		 3s43B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
 0.55A 3s43B-3mwsA:
19.3		 3s43B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
 0.35A 3s43B-3mwsA:
19.3		 3s43B-3mwsA:
76.77
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 198
GLY A 201
ILE A  23
GLY A 220
ILE A 221
 None
 0.79A 3s43B-3noyA:
undetectable		 3s43B-3noyA:
13.65
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 GLY A 138
ALA A 139
ILE A 154
ILE A 177
ILE A 141
 None
 1.01A 3s43B-3rmtA:
undetectable		 3s43B-3rmtA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 ALA A 139
ILE A  80
VAL A 220
ILE A 119
ILE A  76
 None
 1.03A 3s43B-3rvxA:
undetectable		 3s43B-3rvxA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		5 GLY A 305
ALA A 304
GLY A 299
ILE A 298
ILE A 275
 None
 0.99A 3s43B-3s6jA:
undetectable		 3s43B-3s6jA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  54
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
 0.40A 3s43B-3slzA:
11.4		 3s43B-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3s43B-3t2yA:
undetectable		 3s43B-3t2yA:
13.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.33A 3s43B-3t3cA:
18.1		 3s43B-3t3cA:
72.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.27A 3s43B-3ttpA:
19.1		 3s43B-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-4.7A)
 0.34A 3s43B-3ttpA:
19.1		 3s43B-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.43A 3s43B-3ttpA:
19.1		 3s43B-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.26A 3s43B-3u7sA:
19.6		 3s43B-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
 None
 0.25A 3s43B-3uhlA:
16.0		 3s43B-3uhlA:
81.82
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 ASP A 214
VAL A 178
GLY A 180
ILE A   5
ILE A  11
 None
 0.84A 3s43B-3vxiA:
undetectable		 3s43B-3vxiA:
13.30
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.
4d63 FIBER KNOB DOMAIN

(Turkey
siadenovirus A) 		no annotation 5 GLY A 414
ILE A 438
VAL A 434
ILE A 411
ILE A 441
 None
 0.96A 3s43B-4d63A:
undetectable		 3s43B-4d63A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7l PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Corynebacterium
diphtheriae) 		PF01625
(PMSR) 		5 GLY A  55
ALA A  56
ILE A  48
VAL A  99
ILE A  50
 None
 0.89A 3s43B-4d7lA:
undetectable		 3s43B-4d7lA:
17.65
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.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A  15
ILE A  51
VAL A  34
ILE A  58
 None
 0.91A 3s43B-4fgsA:
undetectable		 3s43B-4fgsA:
16.10
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.84A 3s43B-4injA:
undetectable		 3s43B-4injA:
12.73
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 GLY A  43
ALA A  42
ILE A  83
VAL A  91
ILE A  79
 FMN  A 401 (-4.8A)
None
None
None
None
 0.81A 3s43B-4iqlA:
undetectable		 3s43B-4iqlA:
14.11
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.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 187
ILE B 206
GLY B 182
ILE B 181
ILE B 150
 None
 0.89A 3s43B-4jn6B:
undetectable		 3s43B-4jn6B:
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.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A  54
ALA A  55
ILE A   5
GLY A  22
ILE A  35
 None
 0.96A 3s43B-4lmpA:
undetectable		 3s43B-4lmpA:
15.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.49A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.29A 3s43B-4njvA:
19.7		 3s43B-4njvA:
82.83
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 281
VAL A 308
GLY A 269
ILE A 270
ILE A 428
 None
 0.85A 3s43B-4ox2A:
undetectable		 3s43B-4ox2A:
10.14
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 249
ALA A 260
ILE A 266
VAL A 297
ILE A 246
 None
 0.89A 3s43B-4qhrA:
undetectable		 3s43B-4qhrA:
14.20
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 LEU A 489
GLY A 481
ALA A 480
ILE A 477
ILE A 488
 None
FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
None
None
 0.99A 3s43B-4qi4A:
undetectable		 3s43B-4qi4A:
10.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.80A 3s43B-4rcdA:
6.3		 3s43B-4rcdA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
GLY A 252
 None
 0.86A 3s43B-4rghA:
10.5		 3s43B-4rghA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		5 GLY A 274
ILE A  34
VAL A  45
GLY A  21
ILE A 230
 None
 0.75A 3s43B-4to8A:
undetectable		 3s43B-4to8A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 LEU A 215
ALA A 199
VAL A 225
GLY A 202
ILE A 212
 None
None
PO4  A 301 ( 4.5A)
PO4  A 301 (-3.7A)
None
 1.02A 3s43B-4u28A:
undetectable		 3s43B-4u28A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1

(Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C) 		5 LEU A 890
ILE A 904
VAL A 857
ILE A 835
ILE A 891
 None
 1.00A 3s43B-4xgcA:
undetectable		 3s43B-4xgcA:
13.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  56
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.56A 3s43B-4ydfA:
12.6		 3s43B-4ydfA:
33.04
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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 238
GLY A 160
GLY A 179
ILE A 178
ILE A 230
 None
 0.94A 3s43B-4yzgA:
undetectable		 3s43B-4yzgA:
13.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
 0.85A 3s43B-5b18A:
18.0		 3s43B-5b18A:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  30
ILE A  32
ILE A  84
 None
 0.18A 3s43B-5b18A:
18.0		 3s43B-5b18A:
75.76
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.78A 3s43B-5cw2C:
undetectable		 3s43B-5cw2C:
15.52
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.
5il5 MLND

(Bacillus
velezensis) 		PF14765
(PS-DH) 		5 GLY A1310
ALA A1309
ILE A1278
ILE A1303
ILE A1341
 None
 0.66A 3s43B-5il5A:
undetectable		 3s43B-5il5A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  77
ALA A  76
GLY A  70
ILE A  82
ILE A  48
 None
 0.94A 3s43B-5irpA:
undetectable		 3s43B-5irpA:
16.71
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.
5j1t TORSIN-1A

(Homo sapiens) 		PF06309
(Torsin) 		5 LEU A  98
ASP A 170
ILE A 168
ILE A 114
ILE A 204
 None
MG  A 402 ( 3.8A)
None
None
None
 0.95A 3s43B-5j1tA:
undetectable		 3s43B-5j1tA:
16.48
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 LEU A 106
ILE A 101
GLY A 433
ILE A 436
ILE A 102
 None
None
AMP  A 501 (-3.2A)
AMP  A 501 (-4.7A)
None
 0.91A 3s43B-5kkgA:
undetectable		 3s43B-5kkgA:
11.26
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 220
ALA A 171
ILE A 215
GLY A 206
ILE A 205
 None
 0.80A 3s43B-5ldnA:
undetectable		 3s43B-5ldnA:
7.80
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 LEU A 343
GLY A 185
ILE A  84
VAL A 115
ILE A  38
 None
 0.94A 3s43B-5oi9A:
undetectable		 3s43B-5oi9A:
25.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.28A 3s43B-5t2zA:
19.8		 3s43B-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
 0.48A 3s43B-5t2zA:
19.8		 3s43B-5t2zA:
78.79
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.
5zgb PSAL

(Cyanidioschyzon
merolae) 		no annotation 5 LEU L  89
GLY L  51
ALA L 125
ILE L  83
ILE L  86
 BCR  L 205 (-3.7A)
None
None
None
None
 0.86A 3s43B-5zgbL:
undetectable		 3s43B-5zgbL:
24.75
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA
VARIABLE LYMPHOCYTE
RECEPTOR 2

(Danio rerio;
Eptatretus
burgeri;
Petromyzon
marinus) 		no annotation 5 LEU A  56
ILE A  33
VAL C  53
GLY C  55
ILE A  35
 None
 0.72A 3s43B-6bxaA:
undetectable		 3s43B-6bxaA:
22.52
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 GLY A 396
ALA A 360
ILE A 206
VAL A  33
GLY A 381
 None
 0.84A 3s43B-6cc2A:
undetectable		 3s43B-6cc2A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ILE A  37
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.36A 3s43B-6fivA:
15.4		 3s43B-6fivA:
29.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbc MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 181
ALA A 180
GLY A 175
ILE A 174
ILE A  52
 None
 0.96A 3s43B-6gbcA:
undetectable		 3s43B-6gbcA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.69A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.72A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ASP A  30
ILE A  32
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.78A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.60A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ASP A  30
ILE A  32
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
None
 0.62A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.80A 3s43B-6upjA:
17.4		 3s43B-6upjA:
52.53