SIMILAR PATTERNS OF AMINO ACIDS FOR 3EL0_A_1UNA201_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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)


(Thermotoga
maritima)
PF00121
(TIM)
5 LEU A  31
VAL A  40
GLY A 231
ILE A 224
ILE A  39
None
0.95A 3el0B-1b9bA:
undetectable
3el0B-1b9bA:
16.87
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.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE


(Pseudomonas sp.)
PF00106
(adh_short)
5 LEU A 165
GLY A  88
ILE A 114
ALA A 161
ILE A 162
None
NAD  A 300 ( 3.9A)
NAD  A 300 ( 4.3A)
None
None
1.05A 3el0B-1bdbA:
undetectable
3el0B-1bdbA:
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.
1bry BRYODIN I

(Bryonia dioica)
PF00161
(RIP)
5 LEU Y  49
VAL Y  66
ILE Y  41
GLY Y  43
ALA Y  63
None
1.03A 3el0B-1bryY:
undetectable
3el0B-1bryY:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6h CHALCONE SYNTHASE

(Medicago sativa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
6 LEU A 283
VAL A 275
ILE A 309
ILE A 301
ALA A 282
ILE A 279
None
1.38A 3el0B-1d6hA:
undetectable
3el0B-1d6hA:
14.09
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)


(Aspergillus
nidulans)
PF01761
(DHQ_synthase)
5 LEU A 263
ILE A 167
GLY A 150
ILE A 149
ALA A 256
None
0.75A 3el0B-1dqsA:
undetectable
3el0B-1dqsA:
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II


(Synechocystis
sp. PCC 6803)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
6 LEU A  94
VAL A  11
GLY A 192
ILE A 108
ALA A 188
ILE A 243
None
1.25A 3el0B-1e5mA:
undetectable
3el0B-1e5mA:
13.11
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.
1fuj PR3

(Homo sapiens)
PF00089
(Trypsin)
5 VAL A 121
ILE A 200
GLY A 211
PRO A 124
ILE A  47
None
FUC  A 245 (-4.3A)
None
None
None
0.93A 3el0B-1fujA:
undetectable
3el0B-1fujA:
19.31
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.
1gm5 RECG

(Thermotoga
maritima)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge)
5 LEU A 201
VAL A 227
ILE A 156
ALA A 241
ILE A 238
None
0.93A 3el0B-1gm5A:
undetectable
3el0B-1gm5A:
8.81
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.
1gy8 UDP-GALACTOSE
4-EPIMERASE


(Trypanosoma
brucei)
PF01370
(Epimerase)
5 ILE A 193
GLY A 195
ILE A 196
ALA A 180
ILE A 122
None
1.05A 3el0B-1gy8A:
undetectable
3el0B-1gy8A:
13.78
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 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
0.59A 3el0B-1hvcA:
14.1
3el0B-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)
8 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.3A)
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)
0.60A 3el0B-1hvcA:
14.1
3el0B-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)
7 LEU A  23
ASP A  25
VAL A  32
ILE A  47
ILE A  50
PRO A  81
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
0.78A 3el0B-1hvcA:
14.1
3el0B-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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE


(Salmonella
enterica)
PF04321
(RmlD_sub_bind)
5 VAL A  57
ILE A 200
ILE A 148
ALA A  92
ILE A  58
None
1.03A 3el0B-1kbzA:
undetectable
3el0B-1kbzA:
19.06
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini)
PF02274
(Amidinotransf)
5 LEU A  65
GLY A  18
ILE A  17
PRO A 402
ILE A  70
None
1.01A 3el0B-1lxyA:
undetectable
3el0B-1lxyA:
14.88
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)


(Pseudomonas sp.
CF600)
PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer)
5 VAL B 211
GLY B 187
ILE B 186
ALA B 136
ILE B 155
None
1.01A 3el0B-1nvmB:
undetectable
3el0B-1nvmB:
16.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
6 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.77A 3el0B-1sivA:
18.3
3el0B-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.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE


(Aquifex
aeolicus)
PF02446
(Glyco_hydro_77)
5 VAL A 378
ILE A 331
ILE A 203
ALA A   4
ILE A 434
None
1.04A 3el0B-1tz7A:
undetectable
3el0B-1tz7A:
10.40
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE


(Arthrobacter
sp. KM)
PF00480
(ROK)
5 LEU A 163
VAL A 144
GLY A 135
ALA A 156
ILE A 158
None
0.79A 3el0B-1woqA:
undetectable
3el0B-1woqA:
17.25
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae)
PF00491
(Arginase)
5 LEU A  90
VAL A 122
GLY A 136
ALA A  46
ILE A  48
None
0.99A 3el0B-1xfkA:
undetectable
3el0B-1xfkA:
14.85
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.
2bb0 IMIDAZOLONEPROPIONAS
E


(Bacillus
subtilis)
PF01979
(Amidohydro_1)
6 LEU A 374
VAL A  48
ILE A   5
ILE A  10
ALA A  50
ILE A  47
None
1.27A 3el0B-2bb0A:
undetectable
3el0B-2bb0A:
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.
2bb0 IMIDAZOLONEPROPIONAS
E


(Bacillus
subtilis)
PF01979
(Amidohydro_1)
6 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ALA A  50
ILE A  47
None
1.08A 3el0B-2bb0A:
undetectable
3el0B-2bb0A:
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE


(Streptococcus
pneumoniae)
PF01288
(HPPK)
PF02152
(FolB)
5 LEU A 215
VAL A 176
ILE A 141
ALA A 122
ILE A 124
None
0.96A 3el0B-2cg8A:
undetectable
3el0B-2cg8A:
14.96
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.
2cl2 PUTATIVE
LAMINARINASE


(Phanerochaete
chrysosporium)
no annotation 5 LEU A  52
VAL A  89
ILE A 119
ILE A 248
ILE A 291
None
1.04A 3el0B-2cl2A:
undetectable
3el0B-2cl2A:
19.31
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.
2fb5 HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN


(Bacillus cereus)
PF02457
(DisA_N)
PF10372
(YojJ)
5 LEU A 114
VAL A 140
ILE A  80
ALA A 148
ILE A 145
None
0.93A 3el0B-2fb5A:
undetectable
3el0B-2fb5A:
19.62
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 LEU A  23
ASP A  25
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
None
LP1  A 201 (-2.3A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
0.71A 3el0B-2fmbA:
14.7
3el0B-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.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE


(Sulfolobus
solfataricus)
PF00752
(XPG_N)
PF00867
(XPG_I)
6 LEU A 181
ILE A 224
GLY A 227
ILE A 230
ALA A 173
ILE A 174
None
1.43A 3el0B-2izoA:
undetectable
3el0B-2izoA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzo PROTEIN CSAA

(Bacillus
subtilis)
PF01588
(tRNA_bind)
5 LEU A  59
VAL A  18
ILE A  43
ALA A  20
ILE A  17
None
0.97A 3el0B-2nzoA:
undetectable
3el0B-2nzoA:
21.55
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.
2p7j PUTATIVE SENSORY
BOX/GGDEF FAMILY
PROTEIN


(Vibrio
parahaemolyticus)
PF02743
(dCache_1)
5 VAL A 193
GLY A 210
ILE A 213
ALA A 201
ILE A 200
None
1.04A 3el0B-2p7jA:
undetectable
3el0B-2p7jA:
15.19
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.
2q2h SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE


(Agrobacterium
fabrum)
PF01588
(tRNA_bind)
5 LEU A  62
VAL A  21
ILE A  46
ALA A  23
ILE A  20
None
1.01A 3el0B-2q2hA:
undetectable
3el0B-2q2hA:
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.
2q2i SECRETION CHAPERONE

(Agrobacterium
fabrum)
PF01588
(tRNA_bind)
5 LEU A  62
VAL A  21
ILE A  46
ALA A  23
ILE A  20
None
0.98A 3el0B-2q2iA:
undetectable
3el0B-2q2iA:
24.79
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME


(Hordeum vulgare)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 LEU A 354
VAL A 372
ILE A 342
ALA A 366
ILE A 368
None
0.78A 3el0B-2qpsA:
undetectable
3el0B-2qpsA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qps ALPHA-AMYLASE TYPE A
ISOZYME


(Hordeum vulgare)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 VAL A 372
ILE A 342
ILE A 313
ALA A 366
ILE A 368
None
0.96A 3el0B-2qpsA:
undetectable
3el0B-2qpsA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B


(Saccharomyces
cerevisiae)
PF16846
(Cep3)
5 VAL A 166
ILE A 133
GLY A 131
ALA A 236
ILE A 239
None
1.02A 3el0B-2quqA:
undetectable
3el0B-2quqA:
10.48
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 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
None
AB1  A 501 (-2.4A)
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)
0.52A 3el0B-2rkfA:
20.2
3el0B-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT


(Rattus
norvegicus)
PF01602
(Adaptin_N)
5 LEU A 257
VAL A 309
ILE A 287
PRO A 253
ALA A 254
None
1.05A 3el0B-2xa7A:
undetectable
3el0B-2xa7A:
9.60
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.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE


(Rhodopseudomonas
palustris)
PF00701
(DHDPS)
6 LEU A 184
VAL A 150
ILE A 118
ILE A 125
ALA A 155
ILE A 151
None
1.43A 3el0B-3eb2A:
undetectable
3el0B-3eb2A:
15.21
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF01678
(DAP_epimerase)
5 LEU A 284
GLY A 146
ILE A 131
ALA A 258
ILE A 286
None
1.05A 3el0B-3ekmA:
undetectable
3el0B-3ekmA:
16.84
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.
3enk UDP-GLUCOSE
4-EPIMERASE


(Burkholderia
pseudomallei)
PF16363
(GDP_Man_Dehyd)
5 VAL A  31
ILE A  33
GLY A  17
ILE A  16
ILE A   7
None
None
None
NAD  A 341 (-3.9A)
None
1.04A 3el0B-3enkA:
undetectable
3el0B-3enkA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA


(Moorella
thermoacetica)
PF03063
(Prismane)
5 VAL A 292
ILE A 328
GLY A 314
ILE A 315
ILE A 291
None
0.93A 3el0B-3i04A:
undetectable
3el0B-3i04A:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi)
PF00857
(Isochorismatase)
5 VAL A 171
ILE A 184
GLY A 187
ALA A  51
ILE A  53
None
0.81A 3el0B-3irvA:
undetectable
3el0B-3irvA:
17.43
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 LEU A 442
VAL A 164
GLY A 127
ILE A 422
ALA A 445
None
1.03A 3el0B-3m49A:
undetectable
3el0B-3m49A:
8.65
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens)
PF16114
(Citrate_bind)
5 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
None
0.90A 3el0B-3mweA:
undetectable
3el0B-3mweA:
14.70
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 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.55A 3el0B-3mwsA:
19.9
3el0B-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.
3nwg MICROCOMPARTMENTS
PROTEIN


(Desulfitobacterium
hafniense)
PF00936
(BMC)
5 LEU A  30
VAL A  52
ILE A  72
ILE A 104
ILE A  45
None
1.03A 3el0B-3nwgA:
undetectable
3el0B-3nwgA:
19.25
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA


(Rattus
norvegicus)
PF00432
(Prenyltrans)
5 LEU B 298
VAL B  56
ILE B  27
GLY B 276
ILE B 295
None
1.00A 3el0B-3pz2B:
undetectable
3el0B-3pz2B:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qan 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
1


(Bacillus
halodurans)
PF00171
(Aldedh)
5 LEU A 204
ILE A 100
ILE A 108
ALA A 192
ILE A 231
None
0.98A 3el0B-3qanA:
undetectable
3el0B-3qanA:
11.32
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN


(Bacteroides
thetaiotaomicron)
PF13306
(LRR_5)
5 LEU A 159
VAL A 104
ILE A  76
ILE A 148
ILE A 135
None
0.95A 3el0B-3sb4A:
undetectable
3el0B-3sb4A:
15.26
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.
3t1b TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY


(Vibrio cholerae)
PF00126
(HTH_1)
PF03466
(LysR_substrate)
5 LEU A 124
VAL A 140
ILE A 282
ALA A  97
ILE A  95
None
0.87A 3el0B-3t1bA:
undetectable
3el0B-3t1bA:
16.84
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)
8 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ALA A  82
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
SO4  A 101 (-3.5A)
0.84A 3el0B-3t3cA:
18.4
3el0B-3t3cA:
79.80
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.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2


(Homo sapiens)
PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3)
5 VAL A 590
ILE A 604
GLY A 607
ILE A 608
ALA A 596
None
0.89A 3el0B-3t6pA:
undetectable
3el0B-3t6pA:
12.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
017  A 201 (-2.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.67A 3el0B-3ttpA:
19.3
3el0B-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 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
None
017  A 202 ( 2.5A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
0.72A 3el0B-3u7sA:
19.4
3el0B-3u7sA:
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.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E


(Streptomyces
chartreusis)
PF01370
(Epimerase)
5 LEU A  72
VAL A  34
GLY A  20
ILE A  19
ILE A  10
None
None
None
NAD  A 401 (-4.1A)
None
1.05A 3el0B-3vpsA:
undetectable
3el0B-3vpsA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wkv ION CHANNEL

(Mus musculus)
PF00520
(Ion_trans)
5 VAL A 174
GLY A 211
ILE A 214
ALA A 169
ILE A 173
None
1.02A 3el0B-3wkvA:
undetectable
3el0B-3wkvA:
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 LEU A 377
VAL A 395
ILE A 365
ALA A 389
ILE A 391
None
0.72A 3el0B-3wn6A:
undetectable
3el0B-3wn6A:
14.14
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 VAL A 395
ILE A 365
ILE A 336
ALA A 389
ILE A 391
None
0.89A 3el0B-3wn6A:
undetectable
3el0B-3wn6A:
14.14
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.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct)
PF13354
(Beta-lactamase2)
6 LEU A  49
VAL A 249
ILE A 208
ILE A 198
ALA A 187
ILE A 260
None
1.46A 3el0B-3zdjA:
undetectable
3el0B-3zdjA:
18.46
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.
4bma UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE


(Aspergillus
fumigatus)
PF01704
(UDPGP)
5 VAL A 480
GLY A 467
ILE A 468
ALA A 503
ILE A 505
None
0.99A 3el0B-4bmaA:
undetectable
3el0B-4bmaA:
12.17
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes)
PF02274
(Amidinotransf)
5 LEU A  61
GLY A  14
ILE A  13
PRO A 405
ILE A  66
None
0.97A 3el0B-4bofA:
undetectable
3el0B-4bofA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 LEU A 441
VAL A 165
GLY A 128
ILE A 421
ALA A 444
None
1.01A 3el0B-4c7vA:
undetectable
3el0B-4c7vA:
9.35
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.
4crm TRANSLATION
INITIATION FACTOR
RLI1


(Saccharomyces
cerevisiae)
PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI)
5 VAL P 382
GLY P 607
ILE P 608
ALA P 521
ILE P 523
None
1.04A 3el0B-4crmP:
undetectable
3el0B-4crmP:
11.19
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.
4drf METHYLTRANSFERASE
TYPE 12


(Ruminiclostridium
thermocellum)
PF12623
(Hen1_L)
5 LEU B   3
VAL B 167
ILE B 134
ALA B 120
ILE B 122
None
0.92A 3el0B-4drfB:
undetectable
3el0B-4drfB:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e08 DJ-1 BETA

(Drosophila
melanogaster)
PF01965
(DJ-1_PfpI)
5 LEU A 149
VAL A  68
GLY A  87
ALA A 102
ILE A 100
None
0.91A 3el0B-4e08A:
undetectable
3el0B-4e08A:
19.54
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans)
PF02274
(Amidinotransf)
5 LEU A 109
GLY A  62
ILE A  61
PRO A 444
ILE A 114
None
0.97A 3el0B-4e4jA:
undetectable
3el0B-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.
4f4o HAPTOGLOBIN

(Sus scrofa)
PF00089
(Trypsin)
5 LEU C 138
VAL C 177
ILE C 158
ILE C 121
ILE C 191
None
1.03A 3el0B-4f4oC:
undetectable
3el0B-4f4oC:
18.79
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.
4ix8 TYROSINE
AMINOTRANSFERASE


(Leishmania
infantum)
PF00155
(Aminotran_1_2)
5 VAL A 150
ILE A 255
ILE A 220
ALA A 157
ILE A 154
LLP  A 286 ( 3.3A)
LLP  A 286 ( 3.8A)
None
None
None
1.03A 3el0B-4ix8A:
undetectable
3el0B-4ix8A:
13.47
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.
4lhu 9C2 TCR DELTA CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
6 LEU D  84
ASP D  88
ILE D  52
GLY D  64
ALA D  21
ILE D  81
None
1.41A 3el0B-4lhuD:
undetectable
3el0B-4lhuD:
17.49
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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2


(Rattus
norvegicus)
no annotation 5 LEU G 257
VAL G 309
ILE G 287
PRO G 253
ALA G 254
None
1.01A 3el0B-4neeG:
undetectable
3el0B-4neeG:
13.50
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)
8 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
RIT  A 500 (-2.4A)
None
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)
0.62A 3el0B-4njvA:
20.0
3el0B-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.
4o5m ISOVALERYL-COA
DEHYDROGENASE


(Brucella suis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
5 LEU A 352
GLY A  84
ILE A  83
ALA A 256
ILE A 253
None
0.97A 3el0B-4o5mA:
undetectable
3el0B-4o5mA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4osp OXYGENASE-REDUCTASE

(Streptomyces
fradiae)
PF13561
(adh_short_C2)
5 VAL A 129
ILE A 142
ILE A 145
ALA A 124
ILE A 128
None
None
NAP  A 301 (-4.5A)
None
None
1.02A 3el0B-4ospA:
undetectable
3el0B-4ospA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes)
PF02457
(DisA_N)
5 LEU A  50
ILE A  16
ILE A  60
ALA A  84
ILE A  81
None
1.02A 3el0B-4rv7A:
undetectable
3el0B-4rv7A:
18.75
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.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes)
PF02457
(DisA_N)
5 LEU A  58
ILE A  44
GLY A  47
ALA A  52
ILE A  81
None
1.04A 3el0B-4rv7A:
undetectable
3el0B-4rv7A:
18.75
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.
4wnq TCR VARIABLE DELTA 1
CHAIN AND TCR
CONSTANT ALPHA CHAIN


(Homo sapiens)
PF07686
(V-set)
PF09291
(DUF1968)
6 LEU A  94
ASP A  98
ILE A  54
GLY A  74
ALA A  18
ILE A  91
None
1.38A 3el0B-4wnqA:
undetectable
3el0B-4wnqA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9v PARTICLE-ASSOCIATED
LYASE


(Acinetobacter
virus AP22)
no annotation 5 LEU A 354
VAL A 404
GLY A 394
ALA A 369
ILE A 382
None
1.02A 3el0B-4y9vA:
undetectable
3el0B-4y9vA:
8.44
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 LEU A  30
ASP A  32
VAL A  39
GLY A  58
ILE A 100
None
4B1  A 201 (-2.9A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
0.71A 3el0B-4ydfA:
13.0
3el0B-4ydfA:
32.48
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001)
PF01425
(Amidase)
5 LEU A 262
VAL A 470
GLY A 199
ALA A 475
ILE A 471
None
0.96A 3el0B-4yjiA:
undetectable
3el0B-4yjiA:
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.
4za2 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE


(Pectobacterium
carotovorum)
PF13561
(adh_short_C2)
5 VAL A 165
GLY A  94
ILE A  95
ALA A 160
ILE A 117
None
0.90A 3el0B-4za2A:
undetectable
3el0B-4za2A:
16.21
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Pseudomonas
aeruginosa)
PF00275
(EPSP_synthase)
5 VAL A 380
ILE A 398
ILE A 236
ALA A 244
ILE A 381
None
1.05A 3el0B-5bq2A:
undetectable
3el0B-5bq2A:
13.72
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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus)
PF00905
(Transpeptidase)
5 LEU A 262
VAL A  87
GLY A  73
ILE A 266
PRO A 197
None
1.00A 3el0B-5ctmA:
undetectable
3el0B-5ctmA:
19.56
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA


(Cupriavidus
necator)
PF07005
(DUF1537)
PF17042
(DUF1357_C)
6 LEU A 179
ILE A 106
GLY A 232
ILE A 236
ALA A 207
ILE A 208
None
1.35A 3el0B-5dmhA:
undetectable
3el0B-5dmhA:
13.35
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.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS


(Mus musculus)
PF09270
(BTD)
PF09271
(LAG1-DNAbind)
5 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
None
None
BU1  C 521 (-4.7A)
None
None
1.05A 3el0B-5eg6C:
undetectable
3el0B-5eg6C:
12.74
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.
5emi CELL WALL
HYDROLASE/AUTOLYSIN


(Nostoc
punctiforme)
PF01520
(Amidase_3)
5 VAL A 543
ILE A 575
ILE A 466
ALA A 603
ILE A 547
None
0.99A 3el0B-5emiA:
undetectable
3el0B-5emiA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE


(Sphingobium sp.
TCM1)
no annotation 5 LEU A 502
VAL A 399
ILE A 429
ALA A 394
ILE A 396
None
1.03A 3el0B-5hrmA:
undetectable
3el0B-5hrmA:
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.
5irr SEPTIN-LIKE PROTEIN

(Chlamydomonas
reinhardtii)
PF00735
(Septin)
5 ASP A 265
VAL A 322
GLY A 122
ALA A 353
ILE A 323
GSP  A 402 (-2.8A)
None
GSP  A 402 (-3.1A)
None
GSP  A 402 (-4.4A)
1.01A 3el0B-5irrA:
undetectable
3el0B-5irrA:
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.
5jg7 FUR REGULATED
SALMONELLA IRON
TRANSPORTER


(Salmonella
enterica)
PF01297
(ZnuA)
5 LEU A  83
VAL A  38
ILE A 139
ALA A  43
ILE A  39
None
1.05A 3el0B-5jg7A:
undetectable
3el0B-5jg7A:
18.95
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.
5jvk UNCHARACTERIZED
PROTEIN


(Bacteroides
cellulosilyticus)
no annotation 5 VAL A 341
ILE A 313
GLY A 288
ALA A 335
ILE A 333
None
None
SO4  A 651 ( 4.3A)
None
None
1.02A 3el0B-5jvkA:
undetectable
3el0B-5jvkA:
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.
5k6o B-GLUCOSIDASE

(metagenome)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
5 LEU A 554
ILE A 663
GLY A 668
PRO A 585
ILE A 612
None
1.00A 3el0B-5k6oA:
undetectable
3el0B-5k6oA:
7.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
6 LEU A 756
ILE A 712
ILE A 738
PRO A 731
ALA A 729
ILE A 717
None
1.18A 3el0B-5kf7A:
undetectable
3el0B-5kf7A:
5.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii)
PF00905
(Transpeptidase)
5 VAL A 235
ILE A 273
ILE A 263
ALA A 216
ILE A 214
None
1.01A 3el0B-5kzhA:
undetectable
3el0B-5kzhA:
19.28
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE


(Escherichia
coli)
PF00483
(NTP_transferase)
5 LEU A 139
VAL A  71
ILE A  84
ALA A  22
ILE A  24
None
0.86A 3el0B-5l6sA:
undetectable
3el0B-5l6sA:
11.32
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.
5lcn UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF12146
(Hydrolase_4)
5 LEU A 159
VAL A 214
ILE A 175
ILE A 228
ALA A 155
None
1.00A 3el0B-5lcnA:
undetectable
3el0B-5lcnA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
5 LEU A 796
VAL A 827
ILE A 734
ALA A 754
ILE A 801
None
1.01A 3el0B-5m5pA:
undetectable
3el0B-5m5pA:
4.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
8 LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.57A 3el0B-5t2zA:
19.7
3el0B-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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind)
5 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
None
0.93A 3el0B-5te1A:
undetectable
3el0B-5te1A:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uxg ALDEHYDE
DEFORMYLATING
OXYGENASE


(Sulfurisphaera
tokodaii)
no annotation 5 LEU A  85
ILE A 184
GLY A 118
ALA A 173
ILE A 176
None
1.01A 3el0B-5uxgA:
undetectable
3el0B-5uxgA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA


(Mus musculus;
Rattus
norvegicus)
PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 LEU A1114
ILE A1105
GLY A1151
ILE A1152
ALA A1144
None
0.99A 3el0B-5weoA:
undetectable
3el0B-5weoA:
7.26
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.
6f72 MTVAO615

(Thermothelomyces
thermophila)
no annotation 5 LEU A 169
VAL A 551
GLY A 261
ALA A 143
ILE A 150
None
0.96A 3el0B-6f72A:
undetectable
3el0B-6f72A:
18.56
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE


(Pseudomonas
aeruginosa)
no annotation 5 LEU A 470
VAL A 619
ILE A 631
GLY A 376
ILE A 620
None
0.98A 3el0B-6fbtA:
undetectable
3el0B-6fbtA:
22.12
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 LEU A  23
ASP A  25
GLY A  49
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
None
None
0.70A 3el0B-6upjA:
17.7
3el0B-6upjA:
47.47