SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKW_B_DR7B100_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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 GLY A  30
ALA A  31
VAL A   3
GLY A   2
ILE A  50
 None
 0.83A 3ekwB-1ao0A:
undetectable		 3ekwB-1ao0A:
13.75
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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 GLY A 305
ALA A 306
ASP A 307
ILE A 255
ILE A 301
 None
 0.93A 3ekwB-1b4eA:
undetectable		 3ekwB-1b4eA:
15.06
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 273
ALA A 272
VAL A 127
ALA A 409
ILE A 407
 FAD  A 600 (-3.3A)
FAD  A 600 (-3.8A)
None
None
FAD  A 600 (-4.9A)
 0.80A 3ekwB-1bhyA:
undetectable		 3ekwB-1bhyA:
13.36
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  84
ASP A  83
GLY A 207
ALA A 331
ILE A 257
 None
 0.95A 3ekwB-1bucA:
undetectable		 3ekwB-1bucA:
13.58
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.
1dkd GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 251
ILE A 301
VAL A 300
ILE A 292
ILE A 249
 None
 0.95A 3ekwB-1dkdA:
undetectable		 3ekwB-1dkdA:
25.83
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 GLY A 525
ALA A 526
ILE A 187
ILE A 465
ALA A 345
 None
 0.97A 3ekwB-1fuiA:
undetectable		 3ekwB-1fuiA:
10.43
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.
1hf2 SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Thermotoga
maritima) 		PF03775
(MinC_C) 		5 ALA A 144
ILE A 108
ILE A 121
ALA A 150
ILE A 148
 None
 0.86A 3ekwB-1hf2A:
undetectable		 3ekwB-1hf2A:
19.12
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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
ILE A  47
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.60A 3ekwB-1hvcA:
14.1		 3ekwB-1hvcA:
46.31
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.50A 3ekwB-1hvcA:
14.1		 3ekwB-1hvcA:
46.31
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.52A 3ekwB-1hvcA:
14.1		 3ekwB-1hvcA:
46.31
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.54A 3ekwB-1hvcA:
14.1		 3ekwB-1hvcA:
46.31
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.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 ALA A  43
VAL A 165
GLY A 164
ALA A 100
ILE A  45
 None
 0.94A 3ekwB-1ipaA:
undetectable		 3ekwB-1ipaA:
16.19
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 ALA A 191
ILE A 214
GLY A 194
ALA A 202
ILE A 203
 None
PO4  A1002 (-4.4A)
PO4  A1002 (-3.5A)
None
None
 0.89A 3ekwB-1ixpA:
undetectable		 3ekwB-1ixpA:
19.33
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.
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
 0.83A 3ekwB-1l5jA:
undetectable		 3ekwB-1l5jA:
8.85
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.84A 3ekwB-1lk5A:
undetectable		 3ekwB-1lk5A:
20.52
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  97
ALA A  98
GLY A 197
ILE A  93
ILE A 169
 CIT  A 501 (-3.1A)
None
None
None
None
 0.91A 3ekwB-1m0sA:
undetectable		 3ekwB-1m0sA:
23.20
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
VAL A  47
ILE A  61
 None
 0.81A 3ekwB-1p2fA:
undetectable		 3ekwB-1p2fA:
16.96
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 GLY B 335
ALA B 336
GLY B 303
ALA B 316
ILE B 317
 None
 0.90A 3ekwB-1pjmB:
undetectable		 3ekwB-1pjmB:
13.23
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  29
ILE A  84
 None
 0.43A 3ekwB-1q9pA:
10.4		 3ekwB-1q9pA:
88.42
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
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.47A 3ekwB-1sivA:
18.2		 3ekwB-1sivA:
48.48
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.
1sr8 COBALAMIN
BIOSYNTHESIS PROTEIN
(CBID)

(Archaeoglobus
fulgidus) 		PF01888
(CbiD) 		5 GLY A 263
ALA A 262
ILE A 239
VAL A 237
ILE A 268
 None
 0.77A 3ekwB-1sr8A:
undetectable		 3ekwB-1sr8A:
16.05
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.
1srv PROTEIN (GROEL
(HSP60 CLASS))

(Thermus
thermophilus) 		PF00118
(Cpn60_TCP1) 		5 ALA A 251
ILE A 301
VAL A 300
ILE A 292
ILE A 249
 None
 0.92A 3ekwB-1srvA:
undetectable		 3ekwB-1srvA:
17.88
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 GLY A 246
ALA A 245
ILE A 302
ALA A 290
ILE A 291
 None
 0.78A 3ekwB-1up2A:
undetectable		 3ekwB-1up2A:
14.73
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 GLY A 246
ALA A 245
VAL A 301
ALA A 290
ILE A 291
 None
 0.88A 3ekwB-1up2A:
undetectable		 3ekwB-1up2A:
14.73
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 0.91A 3ekwB-1xtzA:
undetectable		 3ekwB-1xtzA:
19.83
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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 GLY A  36
ALA A  83
ILE A  85
VAL A  86
ILE A  73
 None
 0.86A 3ekwB-1yf2A:
undetectable		 3ekwB-1yf2A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 221
GLY A 262
ALA A 261
ASP A 260
ILE A 215
 None
None
None
MN  A1442 (-2.0A)
None
 0.84A 3ekwB-2bwsA:
undetectable		 3ekwB-2bwsA:
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.
2dfv PROBABLE L-THREONINE
3-DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 204
GLY A 212
ALA A 213
ASP A 214
VAL A 171
 NAD  A1401 (-3.1A)
None
None
None
None
 0.93A 3ekwB-2dfvA:
undetectable		 3ekwB-2dfvA:
15.82
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		5 GLY A 192
ALA A 193
ASP A 194
ILE A 120
ALA A 137
 None
 0.95A 3ekwB-2ejaA:
undetectable		 3ekwB-2ejaA:
13.13
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
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 (-4.2A)
 0.51A 3ekwB-2fmbA:
14.9		 3ekwB-2fmbA:
31.73
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.
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)
 0.76A 3ekwB-2isqA:
undetectable		 3ekwB-2isqA:
16.56
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.
2l0t SIGNAL TRANSDUCING
ADAPTER MOLECULE 2

(Homo sapiens) 		PF00790
(VHS) 		5 ARG B  60
GLY B  77
ALA B  78
ALA B  23
ILE B  36
 None
 0.99A 3ekwB-2l0tB:
undetectable		 3ekwB-2l0tB:
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLY A 295
ALA A 294
VAL A 288
ALA A 264
ILE A 265
 None
 0.91A 3ekwB-2qt3A:
undetectable		 3ekwB-2qt3A:
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		5 GLY A 277
ALA A 249
VAL A 181
GLY A 246
ILE A 274
 None
 0.87A 3ekwB-2qu7A:
undetectable		 3ekwB-2qu7A:
16.41
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ASP A 174
GLY A 205
ILE A 204
ALA A 371
ILE A 372
 None
ATP  A1002 (-3.5A)
None
None
None
 0.91A 3ekwB-2qxlA:
undetectable		 3ekwB-2qxlA:
10.53
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ALA A  82
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.41A 3ekwB-2rkfA:
20.1		 3ekwB-2rkfA:
82.83
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.44A 3ekwB-2rkfA:
20.1		 3ekwB-2rkfA:
82.83
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) 		5 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.83A 3ekwB-2rspA:
12.9		 3ekwB-2rspA:
31.20
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 ILE A  53
VAL A  54
GLY A  28
ALA A  42
ILE A  43
 None
 0.84A 3ekwB-2whlA:
undetectable		 3ekwB-2whlA:
15.65
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.96A 3ekwB-3dbgA:
undetectable		 3ekwB-3dbgA:
11.52
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.
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
 0.86A 3ekwB-3fbsA:
undetectable		 3ekwB-3fbsA:
15.10
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.
3gk0 PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF03740
(PdxJ) 		5 ALA A 198
ILE A 221
GLY A 201
ALA A 209
ILE A 210
 None
 0.89A 3ekwB-3gk0A:
undetectable		 3ekwB-3gk0A:
17.39
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.67A 3ekwB-3gveA:
undetectable		 3ekwB-3gveA:
15.11
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA B  36
VAL B  49
GLY B  48
ILE B  47
ILE B 382
 None
 0.86A 3ekwB-3h1lB:
undetectable		 3ekwB-3h1lB:
13.22
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.
3j7a 40S RIBOSOMAL
PROTEIN ES26
40S RIBOSOMAL
PROTEIN US11

(Plasmodium
falciparum) 		PF00411
(Ribosomal_S11)
PF01283
(Ribosomal_S26e) 		5 GLY P 111
ALA P 112
ILE 3  44
ALA P  31
ILE P  33
 None
 0.93A 3ekwB-3j7aP:
undetectable		 3ekwB-3j7aP:
24.34
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		5 ILE A  84
VAL A  85
GLY A  59
ALA A  73
ILE A  74
 None
 0.83A 3ekwB-3jugA:
undetectable		 3ekwB-3jugA:
15.50
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.48A 3ekwB-3mwsA:
19.4		 3ekwB-3mwsA:
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
VAL A  47
ILE A  61
 None
 0.80A 3ekwB-3nnsA:
undetectable		 3ekwB-3nnsA:
22.83
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 GLY A 181
ILE A 133
GLY A 135
ILE A 136
ALA A 283
 None
None
SO4  A 507 (-3.2A)
None
None
 0.77A 3ekwB-3nztA:
undetectable		 3ekwB-3nztA:
11.43
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.
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
 0.90A 3ekwB-3ogzA:
undetectable		 3ekwB-3ogzA:
10.59
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.41A 3ekwB-3t3cA:
18.5		 3ekwB-3t3cA:
79.80
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.54A 3ekwB-3t3cA:
18.5		 3ekwB-3t3cA:
79.80
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
ILE A  47
GLY A  49
PRO A  81
ALA A  82
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
SO4  A 101 (-3.5A)
 0.57A 3ekwB-3t3cA:
18.5		 3ekwB-3t3cA:
79.80
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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.57A 3ekwB-3ttpA:
19.2		 3ekwB-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.45A 3ekwB-3ttpA:
19.2		 3ekwB-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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.47A 3ekwB-3u7sA:
19.7		 3ekwB-3u7sA:
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.46A 3ekwB-3u7sA:
19.7		 3ekwB-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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.58A 3ekwB-3uhlA:
15.8		 3ekwB-3uhlA:
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
 None
 0.44A 3ekwB-3uhlA:
15.8		 3ekwB-3uhlA:
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 GLY A 192
ALA A 386
ILE A 383
ALA A 204
ILE A 200
 NAP  A 552 (-3.4A)
None
None
None
None
 0.98A 3ekwB-3up4A:
undetectable		 3ekwB-3up4A:
11.81
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		5 GLY A  20
ILE A  76
VAL A  75
GLY A  17
ILE A  56
 None
 0.75A 3ekwB-3vvdA:
undetectable		 3ekwB-3vvdA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.91A 3ekwB-4ev4A:
undetectable		 3ekwB-4ev4A:
16.13
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 ILE A  54
VAL A  53
GLY A  52
ILE A 426
ALA A  70
 None
None
None
None
LLP  A 290 ( 3.9A)
 0.99A 3ekwB-4ffcA:
undetectable		 3ekwB-4ffcA:
12.39
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.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 144
VAL A 198
GLY A 199
ILE A 139
ILE A 177
 None
 0.79A 3ekwB-4gmkA:
undetectable		 3ekwB-4gmkA:
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 GLY A  90
ALA A  89
ILE A  83
ALA A  43
ILE A  44
 None
 0.77A 3ekwB-4h6qA:
undetectable		 3ekwB-4h6qA:
15.38
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  56
GLY A  34
ALA A  96
ILE A  67
ILE A  93
 None
 0.97A 3ekwB-4hnlA:
undetectable		 3ekwB-4hnlA:
12.86
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.
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
 0.82A 3ekwB-4ilkA:
undetectable		 3ekwB-4ilkA:
15.20
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.
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
VAL A 164
 None
 0.87A 3ekwB-4ilkA:
undetectable		 3ekwB-4ilkA:
15.20
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.
4jgi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 ASP A 193
ILE A 143
VAL A 144
GLY A 145
ALA A 199
 None
None
None
COB  A 301 (-3.6A)
COB  A 301 (-3.4A)
 0.97A 3ekwB-4jgiA:
undetectable		 3ekwB-4jgiA:
18.96
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 ILE C 289
VAL C 288
ILE C 241
ALA C 249
ILE C 300
 None
 0.86A 3ekwB-4jhpC:
undetectable		 3ekwB-4jhpC:
14.21
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 GLY A 190
GLY A 196
ILE A 198
ALA A  74
ILE A  75
 None
 0.98A 3ekwB-4kkmA:
undetectable		 3ekwB-4kkmA:
18.43
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
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)
RIT  A 500 (-4.3A)
 0.39A 3ekwB-4njvA:
20.0		 3ekwB-4njvA:
86.87
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
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)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.57A 3ekwB-4njvA:
20.0		 3ekwB-4njvA:
86.87
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.
4p5p THIJ/PFPI FAMILY
PROTEIN

(Francisella
tularensis) 		PF01965
(DJ-1_PfpI) 		5 ALA A  95
ASP A  94
ILE A  40
PRO A  31
ILE A 219
 None
 0.99A 3ekwB-4p5pA:
undetectable		 3ekwB-4p5pA:
15.95
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 219
GLY A 260
ALA A 259
ASP A 258
ILE A 213
 None
None
None
MG  A 501 ( 2.0A)
None
 0.84A 3ekwB-4pv4A:
undetectable		 3ekwB-4pv4A:
11.94
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 GLY A 111
ALA A 110
ASP A 109
VAL A 104
ALA A  85
 None
 0.92A 3ekwB-4rweA:
undetectable		 3ekwB-4rweA:
17.45
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ASP A 342
GLY A 344
ALA A 340
ILE A 348
ALA A 191
 EDO  A 402 ( 4.2A)
None
None
None
EDO  A 402 ( 3.6A)
 0.97A 3ekwB-4wzzA:
undetectable		 3ekwB-4wzzA:
15.41
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) 		6 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.48A 3ekwB-4ydfA:
12.8		 3ekwB-4ydfA:
32.48
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) 		6 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-4.8A)
 0.37A 3ekwB-4ydfA:
12.8		 3ekwB-4ydfA:
32.48
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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.89A 3ekwB-5b18A:
18.1		 3ekwB-5b18A:
76.77
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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.53A 3ekwB-5b18A:
18.1		 3ekwB-5b18A:
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.
5b69 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Thermoplasma
acidophilum) 		PF01884
(PcrB) 		5 GLY A 217
ALA A 218
ASP A 219
ILE A 199
VAL A 170
 None
 0.94A 3ekwB-5b69A:
undetectable		 3ekwB-5b69A:
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ARG A 108
ALA A  67
ILE A  60
ALA A 127
ILE A 128
 None
 0.91A 3ekwB-5hm5A:
undetectable		 3ekwB-5hm5A:
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.
5k0y EUKARYOTIC
INITIATION FACTOR 2
GAMMA SUBUNIT
(EIF2-GAMMA)

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 GLY S  58
ALA S 168
ILE S 200
ALA S 189
ILE S 190
 None
 0.92A 3ekwB-5k0yS:
undetectable		 3ekwB-5k0yS:
17.47
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 ALA A 853
ILE A 885
VAL A 886
ILE A 877
PRO A 825
 None
 0.81A 3ekwB-5nn8A:
undetectable		 3ekwB-5nn8A:
7.48
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.
5suh MSM0271 PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A  75
ILE A  58
VAL A  85
ILE A  49
ALA A  99
 None
 0.84A 3ekwB-5suhA:
undetectable		 3ekwB-5suhA:
16.59
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.44A 3ekwB-5t2zA:
19.6		 3ekwB-5t2zA:
81.82
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
VAL A  48
GLY A  49
ILE A  84
 None
 0.56A 3ekwB-5t2zA:
19.6		 3ekwB-5t2zA:
81.82
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.47A 3ekwB-5t2zA:
19.6		 3ekwB-5t2zA:
81.82
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
VAL A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 3ekwB-5t2zA:
19.6		 3ekwB-5t2zA:
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 251
ILE A 301
VAL A 300
ILE A 292
ILE A 249
 None
 0.95A 3ekwB-5w0sA:
undetectable		 3ekwB-5w0sA:
11.02
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.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 6 GLY A 399
ALA A 400
ASP A 401
ILE A 373
ALA A 311
ILE A 378
 None
 0.90A 3ekwB-5xj1A:
undetectable		 3ekwB-5xj1A:
13.20
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.
6bma INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Campylobacter
jejuni) 		no annotation 5 ALA A 237
ASP A 236
ILE A 184
GLY A 186
ILE A  54
 None
 0.81A 3ekwB-6bmaA:
undetectable		 3ekwB-6bmaA:
16.17
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.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 5 GLY A 214
ALA A 215
ASP A 216
VAL A 173
ILE A 185
 None
 0.87A 3ekwB-6dkhA:
undetectable		 3ekwB-6dkhA:
17.14
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 GLY A 572
ALA A 600
VAL A 597
ALA A 538
ILE A 569
 None
 0.88A 3ekwB-6fhvA:
undetectable		 3ekwB-6fhvA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.40A 3ekwB-6fivA:
15.2		 3ekwB-6fivA:
29.20
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) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.66A 3ekwB-6upjA:
17.4		 3ekwB-6upjA:
47.47
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) 		6 ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.85A 3ekwB-6upjA:
17.4		 3ekwB-6upjA:
47.47
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.58A 3ekwB-6upjA:
17.4		 3ekwB-6upjA:
47.47
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) 		6 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.69A 3ekwB-6upjA:
17.4		 3ekwB-6upjA:
47.47