SIMILAR PATTERNS OF AMINO ACIDS FOR 3JW3_B_TOPB208_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.
1czf POLYGALACTURONASE II

(Aspergillus
niger)
PF00295
(Glyco_hydro_28)
5 ALA A  38
LEU A  61
VAL A  72
ILE A 107
LEU A 142
None
1.19A 3jw3B-1czfA:
undetectable
3jw3B-1czfA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
None
None
None
1.17A 3jw3B-1dr6A:
21.4
3jw3B-1dr6A:
31.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
5 ALA A   9
LEU A  22
GLU A  30
LEU A  67
TYR A 121
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-3.0A)
None
None
0.76A 3jw3B-1dr6A:
21.4
3jw3B-1dr6A:
31.96
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.
1fzt PHOSPHOGLYCERATE
MUTASE


(Schizosaccharomyces
pombe)
PF00300
(His_Phos_1)
5 ALA A 169
LEU A 141
ILE A 148
ILE A 160
TYR A 195
None
1.31A 3jw3B-1fztA:
undetectable
3jw3B-1fztA:
21.92
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus)
PF00295
(Glyco_hydro_28)
5 ALA A  15
LEU A  38
VAL A  49
ILE A  84
LEU A 120
None
1.19A 3jw3B-1ia5A:
undetectable
3jw3B-1ia5A:
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.
1j2z ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE


(Helicobacter
pylori)
PF00132
(Hexapep)
PF13720
(Acetyltransf_11)
5 ALA A 256
VAL A 159
ILE A 149
LEU A 137
ILE A 161
None
1.26A 3jw3B-1j2zA:
undetectable
3jw3B-1j2zA:
21.53
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE


(Thermotoga
maritima)
PF01026
(TatD_DNase)
5 LEU A 184
VAL A 191
ILE A 227
LEU A 231
ILE A 196
None
1.24A 3jw3B-1j6oA:
undetectable
3jw3B-1j6oA:
23.60
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.
1jsx GLUCOSE-INHIBITED
DIVISION PROTEIN B


(Escherichia
coli)
PF02527
(GidB)
5 ALA A  90
GLU A  89
ILE A  58
LEU A  16
ILE A  85
None
1.07A 3jw3B-1jsxA:
4.0
3jw3B-1jsxA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofu HYPOTHETICAL PROTEIN
PA3008


(Pseudomonas
aeruginosa)
PF03846
(SulA)
5 ALA X  95
LEU X  87
ILE X 158
LEU X 156
ILE X  65
None
1.29A 3jw3B-1ofuX:
undetectable
3jw3B-1ofuX:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE


(Mus musculus)
PF00186
(DHFR_1)
5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
1.05A 3jw3B-1u70A:
20.9
3jw3B-1u70A:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE


(Homo sapiens)
PF00186
(DHFR_1)
5 ALA A   9
GLU A  30
ILE A  60
LEU A  67
TYR A 121
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 ( 4.7A)
None
None
1.06A 3jw3B-1u71A:
21.5
3jw3B-1u71A:
32.46
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC


(Homo sapiens)
PF00265
(TK)
5 ALA A  88
VAL A 119
ILE A 105
LEU A 139
ILE A  96
None
1.11A 3jw3B-1xbtA:
2.2
3jw3B-1xbtA:
23.81
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli)
PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C)
5 ALA A 360
VAL A 396
ILE A 383
LEU A 418
ILE A 371
None
1.28A 3jw3B-1xdpA:
undetectable
3jw3B-1xdpA:
13.41
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
5 ALA A 269
LEU A 255
VAL A 127
ILE A 206
ILE A 123
None
1.13A 3jw3B-2a2aA:
undetectable
3jw3B-2a2aA:
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ALA A 145
VAL A 132
ILE A  33
LEU A 166
ILE A 138
None
1.28A 3jw3B-2ag1A:
undetectable
3jw3B-2ag1A:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b8e CATION-TRANSPORTING
ATPASE


(Archaeoglobus
fulgidus)
PF00702
(Hydrolase)
5 ALA A 557
VAL A 421
ILE A 648
LEU A 631
ILE A 662
None
1.12A 3jw3B-2b8eA:
undetectable
3jw3B-2b8eA:
21.15
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
6 ALA A  15
LEU A  45
ILE A 121
LEU A 128
ILE A 173
TYR A 179
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
1.04A 3jw3B-2blbA:
20.9
3jw3B-2blbA:
25.31
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE


(Rhizobium sp.
MTP-10005)
PF04909
(Amidohydro_2)
5 ALA A  99
VAL A 123
ILE A 215
LEU A 321
ILE A  56
None
1.19A 3jw3B-2dvuA:
undetectable
3jw3B-2dvuA:
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.
2hjg GTP-BINDING PROTEIN
ENGA


(Bacillus
subtilis)
PF01926
(MMR_HSR1)
PF14714
(KH_dom-like)
5 ALA A 158
VAL A  85
ILE A  23
LEU A  55
ILE A  87
None
1.19A 3jw3B-2hjgA:
undetectable
3jw3B-2hjgA:
15.14
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.
2iq7 ENDOPOLYGALACTURONAS
E


(Colletotrichum
lupini)
PF00295
(Glyco_hydro_28)
5 ALA A  34
LEU A  57
VAL A  68
ILE A 103
LEU A 139
None
1.21A 3jw3B-2iq7A:
undetectable
3jw3B-2iq7A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8x URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
4)
PF03167
(UDG)
5 ALA A 239
VAL A 145
ILE A 118
LEU A 137
ILE A  87
None
1.18A 3jw3B-2j8xA:
undetectable
3jw3B-2j8xA:
20.38
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.
2l4o CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF16555
(GramPos_pilinD1)
5 ALA A 163
LEU A  43
GLU A 143
ILE A  52
LEU A  56
None
1.32A 3jw3B-2l4oA:
undetectable
3jw3B-2l4oA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
5 ALA A 257
VAL A 273
ILE A 225
LEU A 233
ILE A 264
None
0.99A 3jw3B-2odpA:
undetectable
3jw3B-2odpA:
16.06
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR


(Cryptosporidium
hominis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 ALA A  11
LEU A  25
ILE A  62
LEU A  67
TYR A 119
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
0.81A 3jw3B-2oipA:
21.8
3jw3B-2oipA:
16.60
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE


(Corynebacterium
glutamicum)
PF00483
(NTP_transferase)
5 ALA A 121
LEU A 228
VAL A 138
ILE A 245
LEU A 166
UPG  A 326 (-3.5A)
None
None
None
None
1.25A 3jw3B-2pa4A:
undetectable
3jw3B-2pa4A:
19.00
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)


(Candida
albicans)
PF01380
(SIS)
5 ALA A 412
LEU A 678
ILE A 535
LEU A 519
ILE A 416
None
1.22A 3jw3B-2putA:
undetectable
3jw3B-2putA:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE


(Bacillus
anthracis)
PF00186
(DHFR_1)
8 MET A   6
ALA A   8
LEU A  21
GLU A  28
VAL A  32
ILE A  51
LEU A  55
TYR A 102
MTX  A 200 ( 4.1A)
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
0.76A 3jw3B-2qk8A:
28.4
3jw3B-2qk8A:
98.77
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.
2voy CATION-TRANSPORTING
ATPASE


(Archaeoglobus
fulgidus)
PF00702
(Hydrolase)
5 ALA I 557
VAL I 421
ILE I 648
LEU I 631
ILE I 662
None
1.12A 3jw3B-2voyI:
undetectable
3jw3B-2voyI:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
0.66A 3jw3B-2w9sA:
26.2
3jw3B-2w9sA:
43.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wlc POLYSIALIC ACID
O-ACETYLTRANSFERASE


(Neisseria
meningitidis)
PF00132
(Hexapep)
5 LEU A  80
VAL A  65
ILE A  50
ILE A  67
TYR A 113
None
1.30A 3jw3B-2wlcA:
undetectable
3jw3B-2wlcA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yab DEATH-ASSOCIATED
PROTEIN KINASE 2


(Mus musculus)
PF00069
(Pkinase)
5 ALA A 269
LEU A 255
VAL A 127
ILE A 206
ILE A 123
None
1.10A 3jw3B-2yabA:
undetectable
3jw3B-2yabA:
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.
3al0 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B


(Thermotoga
maritima)
PF02637
(GatB_Yqey)
PF02934
(GatB_N)
5 ALA B  66
LEU B 106
VAL B 181
ILE B  11
LEU B 196
None
1.14A 3jw3B-3al0B:
undetectable
3jw3B-3al0B:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
5 ALA A  16
LEU A  46
ILE A 112
LEU A 119
TYR A 170
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
1.19A 3jw3B-3dg8A:
20.9
3jw3B-3dg8A:
24.10
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI


(Monomastix sp.
OKE-1)
PF00961
(LAGLIDADG_1)
5 ALA A 108
LEU A 101
ILE A  15
LEU A   7
ILE A  93
None
1.15A 3jw3B-3fd2A:
undetectable
3jw3B-3fd2A:
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.
3fd2 SITE-SPECIFIC DNA
ENDONUCLEASE I-MSOI


(Monomastix sp.
OKE-1)
PF00961
(LAGLIDADG_1)
5 ALA A 311
LEU A 304
ILE A 218
LEU A 210
ILE A 296
None
1.21A 3jw3B-3fd2A:
undetectable
3jw3B-3fd2A:
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE


(Methanosarcina
mazei)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
5 ALA A 228
LEU A 176
GLU A 155
ILE A 130
ILE A 149
None
1.32A 3jw3B-3g79A:
undetectable
3jw3B-3g79A:
14.10
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.
3gqm CELL INHIBITING
FACTOR (CIFBP)


(Burkholderia
pseudomallei)
PF16374
(CIF)
5 ALA A  94
VAL A 138
ILE A 218
LEU A 198
ILE A 149
None
1.25A 3jw3B-3gqmA:
undetectable
3jw3B-3gqmA:
23.28
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.
3gtm TRANSCRIPTION
ELONGATION FACTOR
S-II


(Saccharomyces
cerevisiae)
PF01096
(TFIIS_C)
PF07500
(TFIIS_M)
5 ALA S 237
LEU S 228
VAL S 206
ILE S 178
LEU S 156
None
1.03A 3jw3B-3gtmS:
undetectable
3jw3B-3gtmS:
18.27
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.
3gx8 MONOTHIOL
GLUTAREDOXIN-5,
MITOCHONDRIAL


(Saccharomyces
cerevisiae)
PF00462
(Glutaredoxin)
5 ALA A 136
LEU A 132
VAL A  75
ILE A 120
LEU A  69
None
1.33A 3jw3B-3gx8A:
undetectable
3jw3B-3gx8A:
20.47
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE


(Shigella
flexneri)
PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C)
5 ALA A 251
GLU A 254
ILE A 308
LEU A 364
ILE A 328
None
1.07A 3jw3B-3h2zA:
undetectable
3jw3B-3h2zA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hyv SULFIDE-QUINONE
REDUCTASE


(Aquifex
aeolicus)
PF07992
(Pyr_redox_2)
5 MET A 249
ALA A 150
ILE A 215
LEU A 165
ILE A 148
None
1.25A 3jw3B-3hyvA:
undetectable
3jw3B-3hyvA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA X   7
LEU X  20
ILE X  50
LEU X  54
TYR X  98
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.6A)
None
None
0.59A 3jw3B-3i8aX:
26.2
3jw3B-3i8aX:
44.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA X   7
LEU X  20
VAL X  31
ILE X  50
TYR X  98
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
N22  X 219 (-4.6A)
None
0.42A 3jw3B-3i8aX:
26.2
3jw3B-3i8aX:
44.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE


(Moritella
profunda)
PF00186
(DHFR_1)
6 ALA A   8
GLU A  28
ILE A  51
LEU A  55
ILE A  96
TYR A 102
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
0.52A 3jw3B-3ia4A:
26.5
3jw3B-3ia4A:
45.06
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.
3ibs CONSERVED
HYPOTHETICAL PROTEIN
BATB


(Bacteroides
thetaiotaomicron)
PF00092
(VWA)
5 MET A  49
LEU A  42
ILE A 199
LEU A  34
ILE A  10
None
None
None
CL  A 216 ( 4.3A)
None
1.27A 3jw3B-3ibsA:
2.1
3jw3B-3ibsA:
22.07
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.
3imm PUTATIVE SECRETED
GLYCOSYLHYDROLASE


(Parabacteroides
distasonis)
PF06439
(DUF1080)
5 ALA A 131
VAL A 157
ILE A 105
LEU A  74
ILE A 103
None
1.29A 3jw3B-3immA:
undetectable
3jw3B-3immA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase)
5 ALA A 557
VAL A 421
ILE A 648
LEU A 631
ILE A 662
None
1.07A 3jw3B-3j09A:
2.6
3jw3B-3j09A:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mip MSO-8G

(synthetic
construct)
PF00961
(LAGLIDADG_1)
5 ALA A 108
LEU A 101
ILE A  15
LEU A   7
ILE A  93
None
1.15A 3jw3B-3mipA:
undetectable
3jw3B-3mipA:
20.24
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.
3ojl CAP5O

(Staphylococcus
aureus)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
5 LEU A 162
GLU A 117
VAL A   5
ILE A  17
LEU A  64
None
1.19A 3jw3B-3ojlA:
undetectable
3jw3B-3ojlA:
19.11
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.
3po0 SMALL ARCHAEAL
MODIFIER PROTEIN 1


(Haloferax
volcanii)
PF02597
(ThiS)
5 ALA A  13
LEU A   5
VAL A  36
ILE A  57
LEU A  53
None
1.32A 3jw3B-3po0A:
undetectable
3jw3B-3po0A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1


(Bacillus
halodurans)
PF00275
(EPSP_synthase)
5 ALA A 396
LEU A 357
VAL A 245
ILE A 373
ILE A 323
None
1.15A 3jw3B-3rmtA:
undetectable
3jw3B-3rmtA:
14.91
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.
3s4t AMIDOHYDROLASE 2

(Polaromonas sp.
JS666)
PF04909
(Amidohydro_2)
5 ALA A  99
VAL A 123
ILE A 215
LEU A 321
ILE A  56
None
1.27A 3jw3B-3s4tA:
undetectable
3jw3B-3s4tA:
16.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE


(Coxiella
burnetii)
PF00186
(DHFR_1)
5 ALA A   8
LEU A  21
ILE A  51
LEU A  55
ILE A  96
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
0.73A 3jw3B-3tq9A:
25.9
3jw3B-3tq9A:
38.76
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.
3tr7 URACIL-DNA
GLYCOSYLASE


(Coxiella
burnetii)
PF03167
(UDG)
5 ALA A 208
VAL A 121
ILE A  95
LEU A 113
ILE A  63
None
1.21A 3jw3B-3tr7A:
undetectable
3jw3B-3tr7A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
5 ALA A   8
ILE A  57
LEU A  64
ILE A 111
TYR A 117
None
0.95A 3jw3B-3vcoA:
18.1
3jw3B-3vcoA:
33.50
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.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila')
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
5 ALA A 286
LEU A 280
ILE A 248
LEU A 213
ILE A 239
None
1.27A 3jw3B-3wnvA:
undetectable
3jw3B-3wnvA:
20.06
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.
3wsv L-LACTATE
DEHYDROGENASE


(Enterococcus
mundtii)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 GLU A 208
VAL A 200
ILE A 159
LEU A 163
ILE A 196
None
None
None
GOL  A 402 (-4.1A)
None
1.28A 3jw3B-3wsvA:
undetectable
3jw3B-3wsvA:
18.04
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.
3zoq URACIL-DNA
GLYCOSYLASE


(Bacillus
subtilis)
PF03167
(UDG)
5 ALA A 206
VAL A 119
ILE A  93
LEU A 111
ILE A  61
None
1.21A 3jw3B-3zoqA:
undetectable
3jw3B-3zoqA:
18.07
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC


(Spinacia
oleracea)
PF00171
(Aldedh)
5 LEU A 162
VAL A 197
ILE A 169
LEU A 208
ILE A  78
None
0.93A 3jw3B-4a0mA:
undetectable
3jw3B-4a0mA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amf PHOX

(Pseudomonas
fluorescens)
PF05787
(DUF839)
5 ALA A 278
VAL A 398
ILE A 298
LEU A 430
ILE A 389
None
1.32A 3jw3B-4amfA:
undetectable
3jw3B-4amfA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b62 TSSL1

(Pseudomonas
aeruginosa)
PF00691
(OmpA)
5 ALA A 361
LEU A 312
ILE A 334
LEU A 339
ILE A 441
None
1.28A 3jw3B-4b62A:
undetectable
3jw3B-4b62A:
19.67
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.
4b8s ADP-DEPENDENT
GLUCOKINASE


(Thermococcus
litoralis)
PF04587
(ADP_PFK_GK)
5 ALA A 210
VAL A 104
ILE A  85
LEU A  82
ILE A  75
None
1.24A 3jw3B-4b8sA:
undetectable
3jw3B-4b8sA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c5n PHOSPHOMETHYLPYRIMID
INE KINASE


(Staphylococcus
aureus)
PF08543
(Phos_pyr_kin)
5 ALA A 124
LEU A 129
ILE A   9
LEU A  65
ILE A  86
None
0.96A 3jw3B-4c5nA:
undetectable
3jw3B-4c5nA:
22.73
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.
4ern TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT


(Homo sapiens)
PF16203
(ERCC3_RAD25_C)
5 GLU A 727
VAL A 610
ILE A 559
LEU A 617
ILE A 580
None
1.12A 3jw3B-4ernA:
undetectable
3jw3B-4ernA:
20.95
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE


(Escherichia
coli)
PF01522
(Polysacc_deac_1)
PF14883
(GHL13)
5 ALA A 571
LEU A 606
VAL A 544
LEU A 561
ILE A 539
None
1.26A 3jw3B-4f9dA:
undetectable
3jw3B-4f9dA:
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica)
PF00871
(Acetate_kinase)
5 ALA A 312
LEU A 342
ILE A 304
LEU A 204
ILE A 210
None
1.23A 3jw3B-4fwmA:
undetectable
3jw3B-4fwmA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
6 ALA X  12
LEU X  25
GLU X  32
ILE X  65
ILE X 123
TYR X 129
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
None
0.72A 3jw3B-4g8zX:
21.2
3jw3B-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
5 ALA X  12
LEU X  25
GLU X  32
ILE X  65
LEU X  72
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.0A)
TOP  X 301 ( 4.3A)
None
1.11A 3jw3B-4g8zX:
21.2
3jw3B-4g8zX:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN


(Homo sapiens)
PF01019
(G_glu_transpept)
5 ALA A 106
LEU A  91
ILE A  69
LEU A  73
ILE A 138
None
1.33A 3jw3B-4gg2A:
undetectable
3jw3B-4gg2A:
18.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE


(Candida
albicans)
PF00186
(DHFR_1)
6 ALA A  11
GLU A  32
ILE A  62
LEU A  69
ILE A 112
TYR A 118
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
0.83A 3jw3B-4h96A:
18.4
3jw3B-4h96A:
34.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
6 ALA A  11
LEU A  25
GLU A  32
ILE A  62
ILE A 121
TYR A 127
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
None
0.61A 3jw3B-4h98A:
19.4
3jw3B-4h98A:
29.15
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.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
5 ALA A  11
LEU A  25
GLU A  32
ILE A  62
LEU A  69
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.8A)
14Q  A 302 (-4.2A)
None
0.88A 3jw3B-4h98A:
19.4
3jw3B-4h98A:
29.15
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.
4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE


(Mycobacterium
tuberculosis)
PF01648
(ACPS)
5 ALA A 125
LEU A 127
VAL A  95
ILE A 101
ILE A  83
None
1.25A 3jw3B-4hc6A:
undetectable
3jw3B-4hc6A:
19.32
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2


(Lactobacillus
brevis)
PF00005
(ABC_tran)
5 GLU A  34
VAL A  30
ILE A 163
LEU A  53
ILE A 161
None
1.30A 3jw3B-4hzuA:
2.6
3jw3B-4hzuA:
20.71
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN


(Neisseria
meningitidis)
PF00657
(Lipase_GDSL)
5 MET A  58
ALA A  52
VAL A 390
ILE A  74
LEU A  95
None
1.22A 3jw3B-4k9sA:
undetectable
3jw3B-4k9sA:
17.94
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.
4lyl URACIL-DNA
GLYCOSYLASE


(Gadus morhua)
PF03167
(UDG)
5 ALA A 287
VAL A 200
ILE A 173
LEU A 192
ILE A 141
None
1.10A 3jw3B-4lylA:
undetectable
3jw3B-4lylA:
20.43
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.
4r8x URICASE

(Bacillus
fastidiosus)
PF01014
(Uricase)
5 ALA A 224
LEU A  22
GLU A 226
VAL A 144
TYR A 208
None
0.92A 3jw3B-4r8xA:
undetectable
3jw3B-4r8xA:
20.86
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.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E


(Streptomyces
argillaceus)
PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23)
5 ALA A 190
LEU A 238
VAL A 263
ILE A 230
ILE A 205
None
1.23A 3jw3B-4rvhA:
2.5
3jw3B-4rvhA:
16.00
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.
4wrw URACIL-DNA
GLYCOSYLASE


(Mycobacterium
tuberculosis)
PF03167
(UDG)
5 ALA A 210
VAL A 123
ILE A  97
LEU A 115
ILE A  64
None
1.13A 3jw3B-4wrwA:
undetectable
3jw3B-4wrwA:
20.24
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2


(Vibrio cholerae)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
5 ALA A 179
VAL A 308
ILE A   8
LEU A 291
ILE A 322
None
1.33A 3jw3B-4x0oA:
undetectable
3jw3B-4x0oA:
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.
5cee NAD-DEPENDENT MALIC
ENZYME


(Aster yellows
witches'-broom
phytoplasma)
PF00390
(malic)
PF03949
(Malic_M)
5 ALA A 304
LEU A 283
ILE A 189
LEU A 203
ILE A 256
None
NAD  A 401 (-4.2A)
None
None
None
1.13A 3jw3B-5ceeA:
undetectable
3jw3B-5ceeA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I


(Klebsiella
pneumoniae)
PF00186
(DHFR_1)
5 MET A   5
ALA A   7
GLU A  27
LEU A  53
TYR A 102
5N1  A 202 (-4.8A)
5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 ( 4.7A)
None
0.41A 3jw3B-5ecxA:
23.7
3jw3B-5ecxA:
31.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ez3 ACYL-COA
DEHYDROGENASE


(Brucella
melitensis)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
5 ALA A 480
LEU A 498
ILE A 462
LEU A 466
ILE A 474
None
1.23A 3jw3B-5ez3A:
undetectable
3jw3B-5ez3A:
13.13
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN


(Snake
atadenovirus A)
PF01696
(Adeno_E1B_55K)
5 ALA A  40
VAL A  60
ILE A  98
LEU A 125
ILE A  62
None
0.99A 3jw3B-5g5nA:
undetectable
3jw3B-5g5nA:
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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE


([Eubacterium]
rectale)
PF00078
(RVT_1)
5 LEU A 198
VAL A 167
ILE A  90
LEU A  55
ILE A  10
None
1.18A 3jw3B-5hhlA:
undetectable
3jw3B-5hhlA:
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.
5jfm ALDEHYDE
DEHYDROGENASE


(Rhodopseudomonas
palustris)
PF00171
(Aldedh)
5 MET A 422
LEU A 391
VAL A 371
ILE A 358
ILE A 424
None
1.25A 3jw3B-5jfmA:
undetectable
3jw3B-5jfmA:
14.56
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.
5jkj ESTERASE E22

(uncultured
bacterium)
PF00561
(Abhydrolase_1)
5 ALA A 170
LEU A 391
VAL A 108
ILE A  94
ILE A  67
None
1.30A 3jw3B-5jkjA:
undetectable
3jw3B-5jkjA:
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B


(Bacteroides
ovatus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
5 ALA A 444
LEU A 477
VAL A 565
ILE A 431
LEU A 429
None
1.27A 3jw3B-5jp0A:
undetectable
3jw3B-5jp0A:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 5 ALA A  98
VAL A 140
ILE A  24
LEU A 105
ILE A  22
None
1.16A 3jw3B-5n7qA:
undetectable
3jw3B-5n7qA:
17.58
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.
5n8o DNA HELICASE I

(Escherichia
coli)
PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30)
5 ALA A1288
LEU A1309
GLU A1327
ILE A1300
LEU A1277
None
1.28A 3jw3B-5n8oA:
undetectable
3jw3B-5n8oA:
6.44
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.
5nn7 URACIL-DNA
GLYCOSYLASE


(Human
gammaherpesvirus
8)
no annotation 5 ALA A 236
VAL A 142
ILE A 115
LEU A 134
ILE A  84
None
1.21A 3jw3B-5nn7A:
undetectable
3jw3B-5nn7A:
20.16
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.
5nth PUTATIVE
AMINOPEPTIDASE


(Leishmania
major)
PF00883
(Peptidase_M17)
5 MET A 417
VAL A 329
ILE A 294
LEU A 536
ILE A 415
None
1.29A 3jw3B-5nthA:
undetectable
3jw3B-5nthA:
14.60
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.
5o0j ADP-DEPENDENT
GLUCOKINASE


(Pyrococcus
horikoshii)
no annotation 5 ALA A 205
VAL A  99
ILE A  80
LEU A  77
ILE A  70
None
1.21A 3jw3B-5o0jA:
undetectable
3jw3B-5o0jA:
16.07
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY


(Staphylococcus
aureus)
no annotation 5 ALA A 122
VAL A 267
ILE A 198
LEU A 168
ILE A  94
PLM  A 301 ( 4.5A)
PLM  A 301 (-4.3A)
None
None
PLM  A 301 (-4.2A)
1.29A 3jw3B-5utoA:
undetectable
3jw3B-5utoA:
19.87
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus)
no annotation 5 LEU A 195
VAL A 164
ILE A  87
LEU A  52
ILE A   7
None
1.26A 3jw3B-6ar3A:
undetectable
3jw3B-6ar3A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A


(Ascaris suum)
no annotation 5 MET A 275
ALA A 273
LEU A 365
ILE A 310
ILE A 386
None
1.09A 3jw3B-6bj9A:
undetectable
3jw3B-6bj9A:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-)
no annotation 5 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
0.57A 3jw3B-6e4eA:
26.2
3jw3B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ehi NUCLEASE NUCT

(Helicobacter
pylori)
no annotation 5 ALA A  48
LEU A  74
VAL A  28
ILE A  40
ILE A  21
None
1.28A 3jw3B-6ehiA:
undetectable
3jw3B-6ehiA:
17.28
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.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB


(Yersinia
pseudotuberculosis)
no annotation 5 ALA A  25
ILE A  50
LEU A  66
ILE A  74
TYR A  98
ALA  A  25 ( 0.0A)
ILE  A  50 ( 0.7A)
LEU  A  66 ( 0.5A)
ILE  A  74 ( 0.7A)
TYR  A  98 ( 1.3A)
1.27A 3jw3B-6gefA:
undetectable
3jw3B-6gefA:
19.87
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.
6gxz -

(-)
no annotation 5 LEU D 255
VAL D 281
ILE D 259
LEU D 220
ILE D 239
None
1.03A 3jw3B-6gxzD:
undetectable
3jw3B-6gxzD:
undetectable