SIMILAR PATTERNS OF AMINO ACIDS FOR 5KQY_B_017B101_2

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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		4 GLY A 158
ALA A 159
ASP A 160
ILE A 105
 None
 0.64A 5kqyB-1b4eA:
undetectable		 5kqyB-1b4eA:
14.89
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 106
ALA A 107
ASP A 108
ASP A 138
 None
 0.48A 5kqyB-1e43A:
undetectable		 5kqyB-1e43A:
12.77
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		4 ASP A 523
ASP A 522
GLY A 540
ILE A 539
 None
 0.69A 5kqyB-1fwxA:
undetectable		 5kqyB-1fwxA:
10.66
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.41A 5kqyB-1hvcA:
13.7		 5kqyB-1hvcA:
45.81
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.44A 5kqyB-1hvcA:
13.7		 5kqyB-1hvcA:
45.81
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.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		4 ALA A1180
ASP A1161
ASP A1159
ILE A1220
 None
 0.66A 5kqyB-1jl5A:
undetectable		 5kqyB-1jl5A:
12.14
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.
1jtd BETA-LACTAMASE
INHIBITOR PROTEIN II

(Streptomyces
exfoliatus) 		PF13540
(RCC1_2) 		4 GLY B 302
ALA B 301
GLY B 228
ILE B 229
 None
 0.66A 5kqyB-1jtdB:
undetectable		 5kqyB-1jtdB:
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.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF00215
(OMPdecase) 		4 GLY A  91
ALA A  92
ASP A  93
ILE A  55
 None
 0.66A 5kqyB-1losA:
undetectable		 5kqyB-1losA:
20.09
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.
1mow CHIMERA OF HOMING
ENDONUCLEASE I-DMOI
AND DNA ENDONUCLEASE
I-CREI

(Chlamydomonas
reinhardtii;
Desulfurococcus
mucosus) 		PF00961
(LAGLIDADG_1)
PF14528
(LAGLIDADG_3) 		4 GLY A 112
ALA A 111
GLY A   9
ILE A  10
 None
GOL  A 767 ( 4.5A)
GOL  A 767 ( 4.1A)
GOL  A 773 (-4.7A)
 0.65A 5kqyB-1mowA:
undetectable		 5kqyB-1mowA:
17.09
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 GLY A  93
ALA A  94
ASP A  95
ILE A  61
 None
 0.70A 5kqyB-1p2fA:
undetectable		 5kqyB-1p2fA:
17.86
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) 		4 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.42A 5kqyB-1q9pA:
10.2		 5kqyB-1q9pA:
97.89
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.45A 5kqyB-1sivA:
18.2		 5kqyB-1sivA:
50.98
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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		4 GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.59A 5kqyB-1tlgA:
undetectable		 5kqyB-1tlgA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		4 GLY A 146
ALA A 145
GLY A 140
ILE A 247
 None
 0.70A 5kqyB-1to6A:
undetectable		 5kqyB-1to6A:
15.76
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 GLY A 424
ALA A 425
ASP A 426
ILE A 354
 None
 0.50A 5kqyB-1x0uA:
undetectable		 5kqyB-1x0uA:
12.26
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 GLY A  92
ALA A  93
ASP A  94
ILE A  55
 None
 0.57A 5kqyB-1x7fA:
undetectable		 5kqyB-1x7fA:
12.60
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 0.66A 5kqyB-1yw6A:
undetectable		 5kqyB-1yw6A:
15.36
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.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG

(Aquifex
aeolicus) 		PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
HG  A1001 (-2.3A)
None
 0.67A 5kqyB-2di4A:
undetectable		 5kqyB-2di4A:
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 GLY A 186
ALA A 185
GLY A 154
ILE A 153
 BTX  A 501 (-3.3A)
None
None
None
 0.68A 5kqyB-2ewnA:
undetectable		 5kqyB-2ewnA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		4 GLY A 168
ALA A 167
GLY A 159
ILE A 158
 None
 0.65A 5kqyB-2fi1A:
undetectable		 5kqyB-2fi1A:
20.31
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) 		4 GLY A  27
ALA A  28
ASP A  29
GLY A  55
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 0.22A 5kqyB-2fmbA:
14.8		 5kqyB-2fmbA:
33.02
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.
2gr8 ADHESIN

(Haemophilus
influenzae) 		PF03895
(YadA_anchor) 		4 ASN A1083
GLY A1027
ALA A1026
ASP A1025
 None
 0.70A 5kqyB-2gr8A:
undetectable		 5kqyB-2gr8A:
24.30
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.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		4 GLY A 388
ALA A 389
ASP A 390
ILE A 270
 None
 0.48A 5kqyB-2gwcA:
undetectable		 5kqyB-2gwcA:
11.83
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.31A 5kqyB-2rkfA:
20.4		 5kqyB-2rkfA:
80.81
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.62A 5kqyB-2vn8A:
undetectable		 5kqyB-2vn8A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 280
ALA A 281
ASP A 255
GLY A 247
 None
 0.64A 5kqyB-2wd9A:
undetectable		 5kqyB-2wd9A:
10.87
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.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		4 GLY A 187
ALA A 186
ASP A 277
GLY A 183
 None
 0.66A 5kqyB-2xu0A:
undetectable		 5kqyB-2xu0A:
11.70
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLY X 255
ALA X 256
GLY X 451
ILE X 450
 None
 0.65A 5kqyB-2y9eX:
undetectable		 5kqyB-2y9eX:
8.94
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.
2yyt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Geobacillus
kaustophilus) 		PF00215
(OMPdecase) 		4 GLY A  82
ALA A  83
ASP A  84
ILE A  47
 None
 0.67A 5kqyB-2yytA:
undetectable		 5kqyB-2yytA:
21.90
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.
2zki 199AA LONG
HYPOTHETICAL TRP
REPRESSOR BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF03358
(FMN_red) 		4 GLY A 162
ALA A 163
GLY A 184
ILE A 187
 None
 0.59A 5kqyB-2zkiA:
undetectable		 5kqyB-2zkiA:
15.90
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 317
ASP A 320
ASP A 323
ILE A 272
 GOL  A 502 (-3.6A)
None
None
None
 0.64A 5kqyB-3be7A:
undetectable		 5kqyB-3be7A:
13.55
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.
3bsf AT4G34840

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		4 GLY A 111
ALA A 112
ASP A 116
GLY A 160
 None
 0.65A 5kqyB-3bsfA:
undetectable		 5kqyB-3bsfA:
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.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLY A 127
ALA A 126
GLY A 517
ILE A 516
 None
 0.64A 5kqyB-3dmyA:
undetectable		 5kqyB-3dmyA:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3etl DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
maripaludis) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 GLY A 165
ALA A 166
GLY A  83
ILE A 320
 None
 0.59A 5kqyB-3etlA:
undetectable		 5kqyB-3etlA:
18.89
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		4 GLY A 173
ASP A 171
GLY A 165
ILE A 164
 None
 0.66A 5kqyB-3g7nA:
undetectable		 5kqyB-3g7nA:
17.86
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		4 GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.57A 5kqyB-3gmiA:
undetectable		 5kqyB-3gmiA:
15.03
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 GLY A 121
ALA A 122
ASP A 123
ILE A  89
 None
 0.59A 5kqyB-3gveA:
undetectable		 5kqyB-3gveA:
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 GLY A 264
ALA A 265
GLY A 460
ILE A 459
 None
 0.66A 5kqyB-3i5gA:
undetectable		 5kqyB-3i5gA:
8.24
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 256
ALA A 257
ASP A 258
ILE A 230
 None
 0.63A 5kqyB-3ip1A:
undetectable		 5kqyB-3ip1A:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		4 GLY A 175
ALA A 176
ASP A 177
GLY A 320
 None
 0.67A 5kqyB-3ke6A:
undetectable		 5kqyB-3ke6A:
14.36
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY A1316
ASP A1314
GLY A1353
ILE A1310
 None
 0.66A 5kqyB-3mmpA:
undetectable		 5kqyB-3mmpA:
10.17
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) 		4 ALA A  28
ASP A  29
ASP A  30
GLY A  48
 None
 0.67A 5kqyB-3mwsA:
19.6		 5kqyB-3mwsA:
77.78
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) 		4 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.47A 5kqyB-3mwsA:
19.6		 5kqyB-3mwsA:
77.78
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) 		5 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.26A 5kqyB-3mwsA:
19.6		 5kqyB-3mwsA:
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.
3n9i TRYPTOPHANYL-TRNA
SYNTHETASE

(Yersinia pestis) 		PF00579
(tRNA-synt_1b) 		4 GLY A 195
ALA A 196
ASP A 260
GLY A 267
 None
 0.66A 5kqyB-3n9iA:
undetectable		 5kqyB-3n9iA:
15.34
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 GLY A  88
ALA A  89
ASP A  90
GLY A 188
 None
 0.59A 5kqyB-3ooxA:
undetectable		 5kqyB-3ooxA:
16.61
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 ASN A  27
GLY A  29
ALA A  30
GLY A  36
 None
 0.59A 5kqyB-3r0zA:
undetectable		 5kqyB-3r0zA:
13.01
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.26A 5kqyB-3t3cA:
18.4		 5kqyB-3t3cA:
74.75
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		4 GLY A 235
ALA A 236
ASP A 237
ILE A 206
 None
 0.64A 5kqyB-3t44A:
undetectable		 5kqyB-3t44A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 ASN A 224
GLY A 226
ALA A 227
GLY A 104
 None
 0.44A 5kqyB-3tnxA:
undetectable		 5kqyB-3tnxA:
15.32
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.
3to4 NKT VBETA2 (MOUSE
VARIABLE DOMAIN,
HUMAN CONSTANT
DOMAIN)

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY D  63
ALA D  64
ASP D  65
GLY D  16
 None
 0.63A 5kqyB-3to4D:
undetectable		 5kqyB-3to4D:
16.60
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.40A 5kqyB-3ttpA:
19.3		 5kqyB-3ttpA:
76.77
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.22A 5kqyB-3u7sA:
20.0		 5kqyB-3u7sA:
74.75
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 GLY A 504
ALA A 505
GLY A 447
ILE A 446
 ANP  A2001 ( 3.9A)
None
None
None
 0.62A 5kqyB-3ummA:
undetectable		 5kqyB-3ummA:
6.01
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		4 GLY A  27
ALA A  28
ASP A  29
GLY A 398
 None
 0.64A 5kqyB-3wfzA:
undetectable		 5kqyB-3wfzA:
8.53
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 577
ALA X 578
GLY X 355
ILE X 357
 None
 0.62A 5kqyB-3zyyX:
undetectable		 5kqyB-3zyyX:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 503
ASP A 287
GLY A 540
ILE A 539
 K  A1772 ( 4.5A)
2PN  A1773 (-3.9A)
None
None
 0.69A 5kqyB-4a01A:
undetectable		 5kqyB-4a01A:
10.22
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		4 ASN A  87
GLY A  88
ALA A  89
GLY A   6
 None
None
None
ATP  A1501 (-2.6A)
 0.69A 5kqyB-4b0sA:
undetectable		 5kqyB-4b0sA:
12.03
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		4 ALA A 343
ASP A 339
GLY A 325
ILE A 324
 None
 0.66A 5kqyB-4bqmA:
undetectable		 5kqyB-4bqmA:
17.69
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 GLY I 577
ALA I 578
GLY I 355
ILE I 357
 None
 0.67A 5kqyB-4c1nI:
undetectable		 5kqyB-4c1nI:
12.25
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		5 GLY A  51
ALA A  98
ASP A  99
GLY A 283
ILE A 285
 None
None
None
CL  A1331 ( 4.7A)
CO3  A1336 ( 4.9A)
 1.30A 5kqyB-4cuoA:
undetectable		 5kqyB-4cuoA:
14.18
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.
4dy5 GIFSY-1 PROPHAGE
PROTEIN

(Salmonella
enterica) 		PF04151
(PPC) 		4 ASN A  68
GLY A  70
ALA A  71
ASP A  72
 None
None
None
GOL  A 202 (-3.1A)
 0.62A 5kqyB-4dy5A:
undetectable		 5kqyB-4dy5A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 GLY A  76
ALA A  75
GLY A  14
ILE A  13
 None
 0.66A 5kqyB-4e4yA:
undetectable		 5kqyB-4e4yA:
17.81
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLY A 199
ALA A 200
ASP A 203
GLY A 130
 None
 0.52A 5kqyB-4eutA:
undetectable		 5kqyB-4eutA:
15.45
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.
4g9s INHIBITOR OF G-TYPE
LYSOZYME

(Escherichia
coli) 		PF04151
(PPC) 		4 ASN B  68
GLY B  70
ALA B  71
ASP B  72
 None
 0.60A 5kqyB-4g9sB:
undetectable		 5kqyB-4g9sB:
20.51
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 4 GLY A 296
ASP A 293
GLY A 307
ILE A 308
 None
 0.66A 5kqyB-4hcyA:
undetectable		 5kqyB-4hcyA:
13.84
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.69A 5kqyB-4jyjA:
undetectable		 5kqyB-4jyjA:
18.62
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 GLY A 128
ALA A 129
ASP A 130
GLY A 179
 GOL  A 503 (-3.7A)
None
None
None
 0.50A 5kqyB-4maaA:
undetectable		 5kqyB-4maaA:
14.71
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) 		4 ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.67A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
84.85
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) 		4 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.47A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
84.85
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) 		5 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 5kqyB-4njvA:
20.0		 5kqyB-4njvA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 GLY B 887
ASP A 463
GLY B 918
ILE B 919
 None
MG  A1001 (-3.0A)
None
None
 0.69A 5kqyB-4qiwB:
undetectable		 5kqyB-4qiwB:
7.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rg8 EXONUCLEASE I

(Methylocaldum
szegediense) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 GLY A  97
ASP A 104
GLY A  29
ILE A  30
 None
MG  A 501 ( 4.1A)
None
None
 0.62A 5kqyB-4rg8A:
undetectable		 5kqyB-4rg8A:
12.42
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 GLY A 132
ASP A 223
GLY A 197
ILE A 199
 None
 0.69A 5kqyB-4woeA:
undetectable		 5kqyB-4woeA:
8.37
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		4 GLY A  14
ALA A  15
GLY A  59
ILE A  60
 None
NAI  A 401 ( 4.3A)
None
None
 0.65A 5kqyB-4y9dA:
undetectable		 5kqyB-4y9dA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		4 GLY X  40
ALA X  41
GLY X 210
ILE X 209
 None
 0.63A 5kqyB-4yahX:
undetectable		 5kqyB-4yahX:
16.53
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) 		4 GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.41A 5kqyB-4ydfA:
12.6		 5kqyB-4ydfA:
31.30
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		4 GLY A  93
ALA A  92
GLY A  20
ILE A  19
 None
BR  A 305 (-3.6A)
None
BR  A 304 (-4.5A)
 0.66A 5kqyB-4z0tA:
undetectable		 5kqyB-4z0tA:
19.43
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.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
ZN  A 701 (-2.2A)
None
 0.64A 5kqyB-4z8xA:
undetectable		 5kqyB-4z8xA:
12.10
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		no annotation 4 GLY A  85
ALA A  86
ASP A  87
GLY A  62
 None
 0.69A 5kqyB-4zoqA:
undetectable		 5kqyB-4zoqA:
25.23
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) 		6 ASN A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.68A 5kqyB-5b18A:
18.2		 5kqyB-5b18A:
73.74
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.
5ez7 FLAVOENZYME PA4991

(Pseudomonas
aeruginosa) 		PF01266
(DAO) 		4 ASN A 209
GLY A 206
ALA A 205
GLY A  18
 None
FAD  A 401 (-3.8A)
FAD  A 401 (-3.7A)
None
 0.67A 5kqyB-5ez7A:
undetectable		 5kqyB-5ez7A:
13.94
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		4 GLY A 317
ALA A 316
GLY A 244
ILE A 334
 None
 0.66A 5kqyB-5fg3A:
undetectable		 5kqyB-5fg3A:
9.84
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		4 GLY A 232
ASP A 234
ASP A 236
GLY A 205
 None
 0.58A 5kqyB-5firA:
undetectable		 5kqyB-5firA:
10.54
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.
5i4q ELONGATION FACTOR TU

(Escherichia
coli) 		PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY C 317
ASP C 315
GLY C 354
ILE C 311
 None
 0.68A 5kqyB-5i4qC:
undetectable		 5kqyB-5i4qC:
19.90
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 GLY A 357
ALA A 358
ASP A 359
GLY A 418
 None
 0.65A 5kqyB-5i5lA:
undetectable		 5kqyB-5i5lA:
12.79
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 GLY A 315
ALA A 316
ASP A 317
ILE A 281
 None
 0.58A 5kqyB-5j6fA:
undetectable		 5kqyB-5j6fA:
16.76
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		4 GLY A 323
ALA A 322
GLY A 231
ILE A 230
 NDP  A 601 (-3.5A)
NDP  A 601 (-3.5A)
None
NDP  A 601 (-4.0A)
 0.70A 5kqyB-5ktkA:
undetectable		 5kqyB-5ktkA:
12.60
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.
5nen LIPASE C

(Serratia
marcescens) 		no annotation 4 ALA A  78
ASP A 268
GLY A  51
ILE A  52
 None
 0.66A 5kqyB-5nenA:
undetectable		 5kqyB-5nenA:
16.31
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 4 GLY A 417
ALA A 420
ASP A 422
GLY A 191
 None
 0.66A 5kqyB-5o6vA:
undetectable		 5kqyB-5o6vA:
21.88
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.35A 5kqyB-5t2zA:
20.2		 5kqyB-5t2zA:
80.81
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ALA A  48
ASP A  47
ASP A  46
GLY A  43
ILE A  42
 None
 1.44A 5kqyB-5ucyA:
undetectable		 5kqyB-5ucyA:
11.86
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.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		4 GLY A 183
ALA A 184
ASP A 248
GLY A 255
 None
 0.53A 5kqyB-5v0iA:
undetectable		 5kqyB-5v0iA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 4 GLY A 140
ASP A 129
GLY A 101
ILE A 100
 None
 0.69A 5kqyB-5xoeA:
undetectable		 5kqyB-5xoeA:
20.79
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 4 GLY A 317
ALA A 316
GLY A 244
ILE A 334
 None
 0.68A 5kqyB-5yt0A:
undetectable		 5kqyB-5yt0A:
17.00
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.
6bc5 AAC 3-VI PROTEIN

(Enterobacter
cloacae) 		no annotation 4 GLY A 179
ALA A 180
GLY A 117
ILE A 119
 None
COA  A 301 ( 3.9A)
COA  A 301 (-3.2A)
None
 0.60A 5kqyB-6bc5A:
undetectable		 5kqyB-6bc5A:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 4 GLY H 342
ALA H 341
GLY H 327
ILE H 326
 None
 0.61A 5kqyB-6cfwH:
undetectable		 5kqyB-6cfwH:
23.23
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		4 GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.24A 5kqyB-6fivA:
15.7		 5kqyB-6fivA:
29.75
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
 0.57A 5kqyB-6upjA:
17.7		 5kqyB-6upjA:
48.48
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 GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.71A 5kqyB-6upjA:
17.7		 5kqyB-6upjA:
48.48