SIMILAR PATTERNS OF AMINO ACIDS FOR 5KQX_A_ROCA101_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)

(Salmonella
enterica) 		PF00180
(Iso_dh) 		6 ALA A 287
ASP A 289
THR A 348
PRO A 298
VAL A  19
ILE A  15
 None
 1.33A 5kqxA-1cnzA:
undetectable		 5kqxA-1cnzA:
13.77
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		6 GLY A 219
ALA A 218
ASP A 216
ASP A 214
GLY A  52
ILE A 213
 None
 1.37A 5kqxA-1e19A:
undetectable		 5kqxA-1e19A:
13.38
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  52
ALA A  51
GLY A 130
VAL A  46
ILE A  48
 None
 0.86A 5kqxA-1h2bA:
undetectable		 5kqxA-1h2bA:
13.65
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.92A 5kqxA-1hvcA:
14.1		 5kqxA-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) 		7 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.83A 5kqxA-1hvcA:
14.1		 5kqxA-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) 		11 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.44A 5kqxA-1hvcA:
14.1		 5kqxA-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) 		10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
VAL A  82
ILE A  84
 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 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.43A 5kqxA-1hvcA:
14.1		 5kqxA-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) 		10 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
ILE A  84
 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)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.50A 5kqxA-1hvcA:
14.1		 5kqxA-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.
1i7h FERREDOXIN

(Escherichia
coli) 		PF00111
(Fer2) 		6 ALA A  30
ASP A  29
ILE A  38
GLY A  35
VAL A   5
ILE A   4
 None
 1.29A 5kqxA-1i7hA:
undetectable		 5kqxA-1i7hA:
22.58
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.
1jfl ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		6 ALA A  67
ILE A  98
GLY A   5
ILE A   6
VAL A  89
ILE A  92
 None
 1.34A 5kqxA-1jflA:
undetectable		 5kqxA-1jflA:
20.28
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		6 GLY A 105
ALA A 104
ILE A 154
GLY A 149
ILE A 109
VAL A 122
 None
None
None
CL  A 503 ( 3.7A)
None
None
 1.50A 5kqxA-1kplA:
undetectable		 5kqxA-1kplA:
12.68
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.
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
 0.76A 5kqxA-1l5jA:
undetectable		 5kqxA-1l5jA:
9.38
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.75A 5kqxA-1lluA:
undetectable		 5kqxA-1lluA:
16.42
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
 0.87A 5kqxA-1p2fA:
undetectable		 5kqxA-1p2fA:
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 GLY B 134
GLY B 107
ILE B 106
THR B  31
VAL B  69
 None
 0.88A 5kqxA-1poiB:
undetectable		 5kqxA-1poiB:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q15 CARA

(Pectobacterium
carotovorum) 		PF00733
(Asn_synthase)
PF09147
(DUF1933) 		5 GLY A 379
ILE A 315
THR A 172
PRO A 173
VAL A 174
 None
 0.86A 5kqxA-1q15A:
undetectable		 5kqxA-1q15A:
11.84
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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 None
 0.67A 5kqxA-1q9pA:
10.3		 5kqxA-1q9pA:
97.89
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.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  36
ILE A  58
GLY A 113
VAL A  30
ILE A  32
 None
 0.84A 5kqxA-1rjwA:
undetectable		 5kqxA-1rjwA:
19.06
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) 		9 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 None
 0.47A 5kqxA-1sivA:
18.3		 5kqxA-1sivA:
50.98
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) 		7 GLY A  27
ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
ILE A  84
 None
 0.86A 5kqxA-1sivA:
18.3		 5kqxA-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.73A 5kqxA-1to3A:
undetectable		 5kqxA-1to3A:
15.46
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 GLY A  88
ALA A  85
ASP A  86
THR A 165
VAL A  92
ILE A  91
 None
 1.31A 5kqxA-1uagA:
undetectable		 5kqxA-1uagA:
12.80
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.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  41
ILE A  62
GLY A 122
VAL A  35
ILE A  37
 None
 0.84A 5kqxA-1vj0A:
undetectable		 5kqxA-1vj0A:
14.40
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		6 ALA B 324
ASP B 323
GLY B 327
ILE B 330
THR B 361
VAL B 353
 None
None
None
None
None
EDO  B  11 ( 4.6A)
 1.44A 5kqxA-1vraB:
undetectable		 5kqxA-1vraB:
18.89
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) 		7 GLY A  27
ALA A  28
ASP A  29
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.06A 5kqxA-2fmbA:
14.8		 5kqxA-2fmbA:
33.02
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) 		8 GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.60A 5kqxA-2fmbA:
14.8		 5kqxA-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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		6 ALA A 273
ASP A 275
THR A 325
PRO A 284
VAL A  15
ILE A  11
 None
 1.48A 5kqxA-2g4oA:
undetectable		 5kqxA-2g4oA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 ALA A 357
ILE A 317
GLY A 360
THR A 365
ILE A 371
 None
 0.86A 5kqxA-2ggqA:
undetectable		 5kqxA-2ggqA:
13.53
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		6 GLY A 374
ALA A 357
ILE A 317
THR A 365
VAL A 369
ILE A 371
 None
 1.37A 5kqxA-2ggqA:
undetectable		 5kqxA-2ggqA:
13.53
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.68A 5kqxA-2isqA:
undetectable		 5kqxA-2isqA:
16.04
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.81A 5kqxA-2o7qA:
undetectable		 5kqxA-2o7qA:
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 ALA A  40
ASP A  43
ASP A  39
THR A  58
VAL A  65
ILE A  37
 None
 1.43A 5kqxA-2obvA:
undetectable		 5kqxA-2obvA:
14.75
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		6 GLY A 270
ALA A 288
ASP A 289
GLY A 323
VAL A 300
ILE A 299
 None
 1.34A 5kqxA-2odlA:
undetectable		 5kqxA-2odlA:
14.44
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 103
ALA A 104
ILE A 170
PRO A 141
VAL A 140
 None
 0.86A 5kqxA-2qzwA:
7.3		 5kqxA-2qzwA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		6 GLY A 105
ALA A 104
ILE A 154
GLY A 149
ILE A 109
VAL A 122
 None
None
None
CL  A   2 ( 4.2A)
CL  A   2 ( 4.9A)
None
 1.49A 5kqxA-2r9hA:
undetectable		 5kqxA-2r9hA:
13.27
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.86A 5kqxA-2rkfA:
20.5		 5kqxA-2rkfA:
80.81
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) 		8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
ILE A  84
 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)
None
AB1  A 501 ( 4.2A)
 0.55A 5kqxA-2rkfA:
20.5		 5kqxA-2rkfA:
80.81
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) 		8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
THR A  80
PRO A  81
ILE A  84
 AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.59A 5kqxA-2rkfA:
20.5		 5kqxA-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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.83A 5kqxA-2uv8G:
undetectable		 5kqxA-2uv8G:
4.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		6 GLY A 370
ILE A   6
GLY A 365
THR A 358
VAL A 379
ILE A 374
 None
 1.07A 5kqxA-2vdcA:
undetectable		 5kqxA-2vdcA:
6.30
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.86A 5kqxA-3aqcB:
undetectable		 5kqxA-3aqcB:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.87A 5kqxA-3fbsA:
undetectable		 5kqxA-3fbsA:
17.06
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.77A 5kqxA-3fkjA:
undetectable		 5kqxA-3fkjA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
VAL A 240
 None
 0.85A 5kqxA-3fpcA:
undetectable		 5kqxA-3fpcA:
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  43
ILE A  66
GLY A  97
VAL A  37
ILE A  39
 None
 0.57A 5kqxA-3gazA:
undetectable		 5kqxA-3gazA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.85A 5kqxA-3gveA:
undetectable		 5kqxA-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) 		6 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 1.05A 5kqxA-3i5gA:
undetectable		 5kqxA-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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 GLY A  59
ASP A 161
ILE A 108
VAL A  77
ILE A  81
 EDO  A 398 ( 3.8A)
None
ACT  A 394 ( 4.6A)
None
None
 0.86A 5kqxA-3kizA:
undetectable		 5kqxA-3kizA:
13.78
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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		5 GLY A  58
ASP A 160
ILE A 107
VAL A  76
ILE A  80
 None
None
ACT  A 395 (-4.3A)
None
None
 0.87A 5kqxA-3mdoA:
undetectable		 5kqxA-3mdoA:
16.62
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.76A 5kqxA-3meqA:
undetectable		 5kqxA-3meqA:
14.99
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 GLY A 310
ALA A 336
ASP A 337
PRO A 364
VAL A 363
ILE A 149
 None
 1.11A 5kqxA-3mwcA:
undetectable		 5kqxA-3mwcA:
15.79
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) 		8 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
VAL A  82
ILE A  84
 None
 0.95A 5kqxA-3mwsA:
19.5		 5kqxA-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) 		8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
VAL A  82
ILE A  84
 None
 0.69A 5kqxA-3mwsA:
19.5		 5kqxA-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) 		9 GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
VAL A  82
ILE A  84
 None
 0.58A 5kqxA-3mwsA:
19.5		 5kqxA-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) 		8 GLY A  27
ALA A  28
ASP A  29
ILE A  47
THR A  80
PRO A  81
VAL A  82
ILE A  84
 None
 0.54A 5kqxA-3mwsA:
19.5		 5kqxA-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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
 None
None
None
None
BEF  A 402 (-3.2A)
 0.87A 5kqxA-3nnnA:
undetectable		 5kqxA-3nnnA:
19.20
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 0.83A 5kqxA-3nnsA:
undetectable		 5kqxA-3nnsA:
22.76
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.
3o0p SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		6 GLY A 134
ALA A 135
ILE A 108
GLY A 125
THR A 152
ILE A 154
 None
 1.46A 5kqxA-3o0pA:
undetectable		 5kqxA-3o0pA:
21.36
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
 0.88A 5kqxA-3o8lA:
undetectable		 5kqxA-3o8lA:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLY A 122
ALA A 121
ASP A 271
ILE A 269
ILE A 167
 None
 0.85A 5kqxA-3ogzA:
undetectable		 5kqxA-3ogzA:
10.42
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 5kqxA-3opyA:
undetectable		 5kqxA-3opyA:
7.51
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 340
ALA A 168
ILE A 160
GLY A 105
VAL A 241
ILE A 171
 None
 1.41A 5kqxA-3oytA:
undetectable		 5kqxA-3oytA:
13.02
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.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		6 ASP A 309
ILE A 313
GLY A 321
ILE A 322
THR A 251
VAL A 213
 None
None
EDO  A   3 ( 3.1A)
None
None
None
 1.44A 5kqxA-3rrcA:
undetectable		 5kqxA-3rrcA:
14.87
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.78A 5kqxA-3s2gA:
undetectable		 5kqxA-3s2gA:
17.19
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 ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.58A 5kqxA-3t3cA:
18.3		 5kqxA-3t3cA:
74.75
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
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)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.61A 5kqxA-3t3cA:
18.3		 5kqxA-3t3cA:
74.75
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
ILE A  47
THR A  80
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
 0.44A 5kqxA-3t3cA:
18.3		 5kqxA-3t3cA:
74.75
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.92A 5kqxA-3ttpA:
19.4		 5kqxA-3ttpA:
76.77
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
ILE A  84
 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)
None
017  A 201 (-4.7A)
 0.78A 5kqxA-3ttpA:
19.4		 5kqxA-3ttpA:
76.77
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.52A 5kqxA-3ttpA:
19.4		 5kqxA-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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
None
017  A 202 (-4.0A)
 0.99A 5kqxA-3u7sA:
19.7		 5kqxA-3u7sA:
74.75
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
 017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.69A 5kqxA-3u7sA:
19.7		 5kqxA-3u7sA:
74.75
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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
None
017  A 202 (-4.0A)
 0.47A 5kqxA-3u7sA:
19.7		 5kqxA-3u7sA:
74.75
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) 		6 GLY A  27
ALA A  28
ASP A  29
THR A  80
PRO A  81
VAL A  82
 None
 0.72A 5kqxA-3uhlA:
15.9		 5kqxA-3uhlA:
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 165
ALA A 166
ASP A 118
GLY A 159
ILE A 168
 None
 0.86A 5kqxA-4aipA:
undetectable		 5kqxA-4aipA:
9.32
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 GLY A 397
ALA A 398
ASP A 399
ASP A 401
VAL A  17
ILE A 394
 None
 1.32A 5kqxA-4b92A:
undetectable		 5kqxA-4b92A:
12.98
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.87A 5kqxA-4c30A:
undetectable		 5kqxA-4c30A:
11.71
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 GLY A  46
ALA A  33
ASP A  34
ILE A  19
PRO A  67
ILE A  24
 None
 1.44A 5kqxA-4cntA:
undetectable		 5kqxA-4cntA:
10.34
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 GLY A 378
ALA A 379
ILE A 372
THR A 388
ILE A 384
 None
 0.85A 5kqxA-4e4jA:
undetectable		 5kqxA-4e4jA:
11.75
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		6 ALA A 243
ASP A 244
GLY A 352
ILE A 351
VAL A 239
ILE A 241
 None
None
None
None
DMS  A 504 ( 4.7A)
None
 1.46A 5kqxA-4g09A:
undetectable		 5kqxA-4g09A:
12.09
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.87A 5kqxA-4ilkA:
undetectable		 5kqxA-4ilkA:
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A 411
ALA A 412
GLY A 419
ILE A 350
VAL A 219
ILE A 218
 None
 1.21A 5kqxA-4jq9A:
undetectable		 5kqxA-4jq9A:
13.43
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		6 ALA A 339
ASP A 128
GLY A 210
ILE A 211
VAL A 300
ILE A 305
 None
 1.27A 5kqxA-4jqpA:
undetectable		 5kqxA-4jqpA:
17.30
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.79A 5kqxA-4k5uB:
undetectable		 5kqxA-4k5uB:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
ASP A  29
GLY A 142
ILE A  51
ILE A  34
 None
CA  A 400 ( 4.5A)
CA  A 400 ( 4.4A)
None
None
 0.75A 5kqxA-4kpnA:
undetectable		 5kqxA-4kpnA:
18.82
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  10
ASP A  12
GLY A 124
ILE A  34
ILE A  17
 None
CA  A 401 ( 4.8A)
CA  A 401 ( 4.3A)
None
None
 0.72A 5kqxA-4kpoA:
undetectable		 5kqxA-4kpoA:
18.78
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		6 GLY A  38
ALA A  39
ILE A 122
GLY A 124
VAL A  55
ILE A  22
 None
 1.45A 5kqxA-4kq6A:
undetectable		 5kqxA-4kq6A:
20.99
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ILE A  88
GLY A 294
ILE A 295
THR A  68
 None
 0.80A 5kqxA-4kwsA:
undetectable		 5kqxA-4kwsA:
15.93
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.
4m98 PILIN GLYCOSYLATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF00132
(Hexapep) 		6 GLY A 380
ALA A 379
ILE A 355
THR A 371
VAL A 386
ILE A 385
 None
 1.36A 5kqxA-4m98A:
undetectable		 5kqxA-4m98A:
18.84
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.78A 5kqxA-4njvA:
20.9		 5kqxA-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) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 5kqxA-4njvA:
20.9		 5kqxA-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) 		9 GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 5kqxA-4njvA:
20.9		 5kqxA-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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		6 ASN E 119
GLY E  24
ALA E 121
GLY E 149
VAL E  48
ILE E 122
 None
 1.16A 5kqxA-4p6vE:
undetectable		 5kqxA-4p6vE:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 144
ALA A 143
ILE A 157
GLY A 101
ILE A 100
ILE A 104
 None
 1.39A 5kqxA-4r8eA:
undetectable		 5kqxA-4r8eA:
11.35
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.83A 5kqxA-4ttpA:
undetectable		 5kqxA-4ttpA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 ASP A  71
GLY A  21
ILE A  19
VAL A  82
ILE A  78
 None
 0.87A 5kqxA-4u8gA:
undetectable		 5kqxA-4u8gA:
18.55
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.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY C 188
ALA C 189
ILE C 192
VAL C 236
ILE C 250
 None
 0.88A 5kqxA-4x0lC:
undetectable		 5kqxA-4x0lC:
17.87
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLY A 353
ASP A 492
GLY A 372
THR A 328
ILE A 562
 ADP  A 702 (-3.4A)
MG  A 701 ( 3.9A)
None
None
None
 0.87A 5kqxA-4y05A:
undetectable		 5kqxA-4y05A:
13.65
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 GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.44A 5kqxA-4ydfA:
12.9		 5kqxA-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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		5 ASP A  66
GLY A  16
ILE A  14
VAL A  77
ILE A  73
 None
 0.86A 5kqxA-4z9xA:
undetectable		 5kqxA-4z9xA:
17.67