SIMILAR PATTERNS OF AMINO ACIDS FOR 3HBB_A_TMQA611_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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa)
PF00330
(Aconitase)
PF00694
(Aconitase_C)
5 VAL A 632
ALA A 658
ILE A 699
ILE A 715
ILE A 633
None
1.14A 3hbbA-1b0kA:
undetectable
3hbbA-1b0kA:
21.52
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4


(Enterovirus E)
PF00073
(Rhv)
5 VAL 2 211
ILE 2 127
PRO 2 128
LEU 2 158
ILE 2 209
None
0.78A 3hbbA-1bev2:
undetectable
3hbbA-1bev2:
18.18
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.
1cz3 DIHYDROFOLATE
REDUCTASE


(Thermotoga
maritima)
PF00186
(DHFR_1)
6 VAL A   6
ALA A   8
ASP A  27
ILE A  51
LEU A  55
ILE A 100
None
0.67A 3hbbA-1cz3A:
18.1
3hbbA-1cz3A:
16.50
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.
1dr6 DIHYDROFOLATE
REDUCTASE


(Gallus gallus)
PF00186
(DHFR_1)
5 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
HBI  A 198 ( 3.6A)
None
None
None
None
0.50A 3hbbA-1dr6A:
22.6
3hbbA-1dr6A:
17.37
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)


(Agrobacterium
tumefaciens)
PF00561
(Abhydrolase_1)
5 ILE A 133
ILE A 111
LEU A 225
ILE A 219
TYR A 152
None
1.10A 3hbbA-1ehyA:
undetectable
3hbbA-1ehyA:
19.62
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.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA


(Thermotoga
maritima)
PF01926
(MMR_HSR1)
PF14714
(KH_dom-like)
5 VAL A 208
ALA A 206
ILE A 346
ILE A 185
LEU A 238
None
0.96A 3hbbA-1mkyA:
2.9
3hbbA-1mkyA:
22.37
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.
1u70 DIHYDROFOLATE
REDUCTASE


(Mus musculus)
PF00186
(DHFR_1)
5 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
NDP  A 188 (-3.6A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
0.55A 3hbbA-1u70A:
22.3
3hbbA-1u70A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE


(Homo sapiens)
PF00186
(DHFR_1)
5 ALA A   9
ILE A  60
PRO A  61
LEU A  67
TYR A 121
MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
0.69A 3hbbA-1u71A:
21.9
3hbbA-1u71A:
18.38
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.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH


(Thermotoga
maritima)
PF01808
(AICARFT_IMPCHas)
PF02142
(MGS)
5 ALA A  45
ILE A  43
ILE A  17
LEU A 120
ILE A   4
None
1.01A 3hbbA-1zczA:
undetectable
3hbbA-1zczA:
22.95
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.
1zdr DIHYDROFOLATE
REDUCTASE


(Geobacillus
stearothermophilus)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ILE A  96
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
0.72A 3hbbA-1zdrA:
18.8
3hbbA-1zdrA:
17.08
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.
2ap1 PUTATIVE REGULATOR
PROTEIN


(Salmonella
enterica)
PF00480
(ROK)
5 ALA A  42
ILE A  12
ILE A  64
PRO A  65
LEU A  75
None
0.86A 3hbbA-2ap1A:
undetectable
3hbbA-2ap1A:
20.87
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
7 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
0.52A 3hbbA-2blbA:
20.7
3hbbA-2blbA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
6 ASP A  53
MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
0.72A 3hbbA-2blbA:
20.7
3hbbA-2blbA:
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.
2deo 441AA LONG
HYPOTHETICAL NFED
PROTEIN


(Pyrococcus
horikoshii)
PF00574
(CLP_protease)
5 VAL A  24
ALA A  48
ILE A  45
ILE A  86
ILE A  57
None
1.12A 3hbbA-2deoA:
undetectable
3hbbA-2deoA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu2 ASPA PROTEIN

(Rattus
norvegicus)
PF04952
(AstE_AspA)
5 VAL A 178
ILE A  15
PRO A  49
LEU A 198
ILE A 176
None
0.92A 3hbbA-2gu2A:
undetectable
3hbbA-2gu2A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
5 ALA A  28
ILE A  41
ASP A  48
MET A  49
PRO A  85
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
0.91A 3hbbA-2h2qA:
51.0
3hbbA-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
9 VAL A  26
ALA A  28
ILE A  41
ASP A  48
ILE A  84
PRO A  85
LEU A  91
ILE A 154
TYR A 160
None
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
None
0.54A 3hbbA-2h2qA:
51.0
3hbbA-2h2qA:
100.00
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.
2in2 PICORNAIN 3C

(Rhinovirus B)
PF00548
(Peptidase_C3)
5 VAL A  34
ILE A  18
ILE A 159
LEU A 173
ILE A  30
None
1.04A 3hbbA-2in2A:
undetectable
3hbbA-2in2A:
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.
2jn4 HYPOTHETICAL PROTEIN
FIXU, NIFT


(Rhodopseudomonas
palustris)
PF06988
(NifT)
5 VAL A  61
ALA A  63
ILE A  25
LEU A  33
ILE A   5
None
1.08A 3hbbA-2jn4A:
undetectable
3hbbA-2jn4A:
8.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR


(Cryptosporidium
hominis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
6 VAL A   9
ALA A  11
ASP A  32
ILE A  62
LEU A  67
TYR A 119
MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
0.54A 3hbbA-2oipA:
18.1
3hbbA-2oipA:
42.41
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.
2qkc SUPEROXIDE DISMUTASE
[MN]


(Homo sapiens)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
5 VAL A 160
ALA A 164
ILE A  18
ILE A 184
LEU A 156
None
MN  A 199 ( 4.9A)
None
None
None
1.14A 3hbbA-2qkcA:
undetectable
3hbbA-2qkcA:
17.65
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.
2vvx PROTEIN A52

(Vaccinia virus)
PF06227
(Poxvirus)
5 VAL A 131
ILE A 164
ILE A  83
LEU A 180
ILE A 135
None
1.12A 3hbbA-2vvxA:
undetectable
3hbbA-2vvxA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE


(Mycobacterium
avium)
PF00186
(DHFR_1)
5 ASP A  31
PRO A  55
LEU A  61
ILE A 102
TYR A 108
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
0.79A 3hbbA-2w3wA:
20.8
3hbbA-2w3wA:
19.96
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.
2w3w DIHYDROFOLATE
REDUCTASE


(Mycobacterium
avium)
PF00186
(DHFR_1)
7 VAL A   9
ALA A  11
ILE A  24
ASP A  31
LEU A  61
ILE A 102
TYR A 108
VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
0.49A 3hbbA-2w3wA:
20.8
3hbbA-2w3wA:
19.96
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
ILE A  50
LEU A  54
TYR A  98
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-4.4A)
None
None
0.53A 3hbbA-2w9sA:
19.4
3hbbA-2w9sA:
16.02
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.
2wli POTASSIUM CHANNEL

(Magnetospirillum
magnetotacticum)
PF01007
(IRK)
5 ALA A 259
ILE A 224
PRO A 223
LEU A 232
ILE A 265
None
1.09A 3hbbA-2wliA:
undetectable
3hbbA-2wliA:
21.50
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum)
PF00942
(CBM_3)
5 VAL B 470
ALA B 468
ILE B 599
ILE B 504
ILE B 478
None
1.14A 3hbbA-2xfgB:
undetectable
3hbbA-2xfgB:
14.94
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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN


(Pyrococcus
furiosus)
no annotation 5 ALA A 786
ILE A 799
ILE A 732
LEU A 746
ILE A 771
None
1.04A 3hbbA-2zaiA:
undetectable
3hbbA-2zaiA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B


(Rhodobacter
capsulatus)
PF00148
(Oxidored_nitro)
5 ALA B 375
ILE B 237
PRO B 236
LEU B 398
ILE B 373
None
0.97A 3hbbA-3aeqB:
undetectable
3hbbA-3aeqB:
23.50
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.
3b9p CG5977-PA, ISOFORM A

(Drosophila
melanogaster)
PF00004
(AAA)
PF09336
(Vps4_C)
5 ALA A 542
MET A 574
ILE A 473
LEU A 567
ILE A 579
None
1.13A 3hbbA-3b9pA:
undetectable
3hbbA-3b9pA:
22.80
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
6 ALA A  16
ASP A  54
ILE A 112
PRO A 113
LEU A 119
TYR A 170
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
0.46A 3hbbA-3dg8A:
21.1
3hbbA-3dg8A:
22.34
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
5 ASP A  54
MET A  55
ILE A 112
PRO A 113
LEU A 119
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
0.91A 3hbbA-3dg8A:
21.1
3hbbA-3dg8A:
22.34
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN


(Campylobacter
jejuni)
PF13343
(SBP_bac_6)
5 ALA X 194
ILE X 137
ILE X 225
PRO X 227
ILE X 117
None
1.12A 3hbbA-3e13X:
undetectable
3hbbA-3e13X:
21.84
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN


(Ruegeria
pomeroyi)
PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2)
5 VAL A 113
ILE A 128
ILE A  16
LEU A  28
ILE A 109
None
0.99A 3hbbA-3h3zA:
undetectable
3hbbA-3h3zA:
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.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE


(Shewanella
denitrificans)
PF01380
(SIS)
5 ALA A 109
ILE A 130
ILE A 138
PRO A 139
ILE A  94
None
1.11A 3hbbA-3hbaA:
undetectable
3hbbA-3hbaA:
22.54
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.
3i8a DIHYDROFOLATE
REDUCTASE


(Staphylococcus
aureus)
PF00186
(DHFR_1)
5 ALA X   7
ASP X  27
ILE X  50
LEU X  54
TYR X  98
N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
0.69A 3hbbA-3i8aX:
19.3
3hbbA-3i8aX:
15.16
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.
3ia4 DIHYDROFOLATE
REDUCTASE


(Moritella
profunda)
PF00186
(DHFR_1)
5 ALA A   8
ILE A  51
LEU A  55
ILE A  96
TYR A 102
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
0.71A 3hbbA-3ia4A:
19.5
3hbbA-3ia4A:
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.
3j7a 40S RIBOSOMAL
PROTEIN US19


(Plasmodium
falciparum)
PF00203
(Ribosomal_S19)
5 ILE X  34
ILE X  86
PRO X  87
LEU X  57
ILE X  49
None
1.06A 3hbbA-3j7aX:
undetectable
3hbbA-3j7aX:
15.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE


(Babesia bovis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ALA A  16
ILE A  29
ASP A  37
ILE A  73
PRO A  74
LEU A  80
TYR A 129
NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
None
0.63A 3hbbA-3kjrA:
12.7
3hbbA-3kjrA:
39.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnl UPF0135 PROTEIN
SA1388


(Staphylococcus
aureus)
PF01784
(NIF3)
5 VAL A 304
ALA A 297
ILE A 128
ILE A 125
ILE A 283
None
1.03A 3hbbA-3lnlA:
undetectable
3hbbA-3lnlA:
21.21
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.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00926
(DHBP_synthase)
5 ALA A 147
ILE A 163
ILE A 166
LEU A 181
ILE A  23
None
1.05A 3hbbA-3mgzA:
undetectable
3hbbA-3mgzA:
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA


(Archaeoglobus
fulgidus)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
5 VAL A 331
ILE A 214
PRO A 172
LEU A 344
ILE A 309
None
1.14A 3hbbA-3mm5A:
undetectable
3hbbA-3mm5A:
20.63
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN


(Bacillus
subtilis)
PF04069
(OpuAC)
5 ALA A  64
ILE A 247
PRO A 248
LEU A 258
ILE A  55
None
1.14A 3hbbA-3ppoA:
undetectable
3hbbA-3ppoA:
21.47
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.
3pv2 DEGQ

(Legionella
fallonii)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
5 ALA A 305
ILE A 302
ILE A 323
LEU A 288
ILE A 250
None
1.09A 3hbbA-3pv2A:
undetectable
3hbbA-3pv2A:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
6 ALA A  34
ASP A  54
MET A  55
LEU A  90
ILE A 160
TYR A 166
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
1.47A 3hbbA-3rg9A:
32.3
3hbbA-3rg9A:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
9 VAL A  32
ALA A  34
ILE A  47
ASP A  54
MET A  55
PRO A  91
LEU A  97
ILE A 160
TYR A 166
WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
0.54A 3hbbA-3rg9A:
32.3
3hbbA-3rg9A:
60.00
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.
3ruc WBGU

(Plesiomonas
shigelloides)
PF01370
(Epimerase)
5 ALA A 264
ILE A 211
PRO A 212
LEU A 274
ILE A 325
None
0.81A 3hbbA-3rucA:
undetectable
3hbbA-3rucA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shw TIGHT JUNCTION
PROTEIN ZO-1


(Homo sapiens)
PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2)
5 ALA A 785
ILE A 773
ILE A 653
PRO A 652
LEU A 743
None
1.06A 3hbbA-3shwA:
undetectable
3hbbA-3shwA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum)
PF00491
(Arginase)
5 VAL A 361
ILE A 310
ILE A 268
LEU A 351
ILE A 320
None
0.94A 3hbbA-3sl1A:
undetectable
3hbbA-3sl1A:
21.65
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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3


(Homo sapiens)
PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III)
5 ALA B 918
ILE B 920
ILE B 909
PRO B 574
LEU B 555
None
1.13A 3hbbA-3thwB:
undetectable
3hbbA-3thwB:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV


(Dichelobacter
nodosus)
PF00082
(Peptidase_S8)
5 VAL A 109
ALA A 280
ILE A 203
ILE A 148
LEU A 138
None
1.08A 3hbbA-3ti7A:
undetectable
3hbbA-3ti7A:
19.59
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.
3tq9 DIHYDROFOLATE
REDUCTASE


(Coxiella
burnetii)
PF00186
(DHFR_1)
5 ALA A   8
ASP A  28
ILE A  51
LEU A  55
ILE A  96
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
0.55A 3hbbA-3tq9A:
19.7
3hbbA-3tq9A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ASP A  54
MET A  55
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
0.69A 3hbbA-3um6A:
19.3
3hbbA-3um6A:
37.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
6 ALA A   8
ILE A  57
PRO A  58
LEU A  64
ILE A 111
TYR A 117
None
0.75A 3hbbA-3vcoA:
3.3
3hbbA-3vcoA:
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.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
8 VAL A   6
ALA A   8
ASP A  28
MET A  29
ILE A  57
LEU A  64
ILE A 111
TYR A 117
None
0.73A 3hbbA-3vcoA:
3.3
3hbbA-3vcoA:
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.
3vth HYDROGENASE
MATURATION FACTOR


(Caldanaerobacter
subterraneus)
PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF)
5 ALA A 237
ILE A 217
ILE A 220
LEU A 317
ILE A 325
None
0.98A 3hbbA-3vthA:
undetectable
3hbbA-3vthA:
21.20
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.
4ds1 DYNEIN LIGHT CHAIN
1, CYTOPLASMIC


(Saccharomyces
cerevisiae)
PF01221
(Dynein_light)
5 ILE A  24
ILE A  81
PRO A   9
LEU A  32
ILE A  41
None
1.09A 3hbbA-4ds1A:
undetectable
3hbbA-4ds1A:
11.54
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.
4emy AMINOTRANSFERASE
CLASS I AND II


(Anaerococcus
prevotii)
PF00155
(Aminotran_1_2)
5 ALA A  24
ILE A  20
ILE A 384
LEU A 403
ILE A 375
None
1.10A 3hbbA-4emyA:
2.2
3hbbA-4emyA:
21.54
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.
4f6o METACASPASE-1

(Saccharomyces
cerevisiae)
PF00656
(Peptidase_C14)
5 ALA A 199
ILE A 141
ILE A 162
LEU A 166
ILE A 177
None
1.09A 3hbbA-4f6oA:
undetectable
3hbbA-4f6oA:
20.62
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.
4g1j SORTASE FAMILY
PROTEIN


(Streptococcus
agalactiae)
PF04203
(Sortase)
5 ALA A 158
ILE A 186
ILE A 119
PRO A 120
LEU A 175
None
1.07A 3hbbA-4g1jA:
undetectable
3hbbA-4g1jA:
19.14
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
PF14859
(Colicin_M)
5 ALA A 146
ASP A  96
ILE A 279
PRO A 280
LEU A 166
None
1.05A 3hbbA-4g76A:
undetectable
3hbbA-4g76A:
19.37
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.
4g8z DIHYDROFOLATE
REDUCTASE


(Pneumocystis
jirovecii)
PF00186
(DHFR_1)
6 ALA X  12
ILE X  65
PRO X  66
LEU X  72
ILE X 123
TYR X 129
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
0.50A 3hbbA-4g8zX:
21.9
3hbbA-4g8zX:
17.32
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.
4gip FUSION GLYCOPROTEIN
F1
FUSION GLYCOPROTEIN
F2


(Mammalian
rubulavirus 5)
PF00523
(Fusion_gly)
5 VAL D 175
ILE D 180
ILE A  69
LEU D 196
ILE D 172
None
1.06A 3hbbA-4gipD:
undetectable
3hbbA-4gipD:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7l UNCHARACTERIZED
PROTEIN


(Planctopirus
limnophila)
no annotation 5 VAL A 104
ALA A 107
ILE A 109
ILE A  95
LEU A  80
None
1.11A 3hbbA-4h7lA:
undetectable
3hbbA-4h7lA:
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.
4h96 DIHYDROFOLATE
REDUCTASE


(Candida
albicans)
PF00186
(DHFR_1)
6 ALA A  11
ILE A  62
PRO A  63
LEU A  69
ILE A 112
TYR A 118
14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
0.72A 3hbbA-4h96A:
19.1
3hbbA-4h96A:
19.85
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.
4h98 DIHYDROFOLATE
REDUCTASE


([Candida]
glabrata)
PF00186
(DHFR_1)
7 ALA A  11
MET A  33
ILE A  62
PRO A  63
LEU A  69
ILE A 121
TYR A 127
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.0A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
0.82A 3hbbA-4h98A:
19.7
3hbbA-4h98A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgn 2-KETO-3-DEOXY-D-MAN
NO-OCTULOSONATE
8-PHOSPHATE
PHOSPHOHYDROLASE


(Bacteroides
thetaiotaomicron)
PF08282
(Hydrolase_3)
5 VAL A  21
ALA A 130
ILE A 141
ILE A   4
LEU A 106
None
1.04A 3hbbA-4hgnA:
2.7
3hbbA-4hgnA:
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
5 VAL A 164
ALA A 153
ILE A 151
PRO A  62
LEU A 202
None
1.14A 3hbbA-4i3uA:
undetectable
3hbbA-4i3uA:
23.53
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.
4m2x DIHYDROFOLATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF00186
(DHFR_1)
6 ALA A   7
ILE A  20
ASP A  27
LEU A  57
ILE A  94
TYR A 100
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 ( 3.8A)
None
0.40A 3hbbA-4m2xA:
19.8
3hbbA-4m2xA:
20.04
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.
4m2x DIHYDROFOLATE
REDUCTASE


(Mycobacterium
tuberculosis)
PF00186
(DHFR_1)
5 ILE A  20
PRO A  51
LEU A  57
ILE A  94
TYR A 100
NDP  A 201 (-4.0A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 ( 3.8A)
None
0.74A 3hbbA-4m2xA:
19.8
3hbbA-4m2xA:
20.04
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.
4mbo SERINE-RICH REPEAT
ADHESION
GLYCOPROTEIN (SRR1)


(Streptococcus
agalactiae)
PF10425
(SdrG_C_C)
5 ASP A 574
ILE A 599
PRO A 600
LEU A 606
ILE A 522
None
None
MLZ  A 601 ( 3.7A)
None
None
1.02A 3hbbA-4mboA:
undetectable
3hbbA-4mboA:
20.49
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.
4n54 INOSITOL
DEHYDROGENASE


(Lactobacillus
casei)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 ALA A  88
ILE A  74
ILE A 101
PRO A 100
ILE A 115
None
1.07A 3hbbA-4n54A:
undetectable
3hbbA-4n54A:
20.75
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.
4ntl LIPOPROTEIN, YAEC
FAMILY


(Enterococcus
faecalis)
PF03180
(Lipoprotein_9)
5 ALA A 151
ILE A 148
ILE A 135
PRO A 136
ILE A 155
None
1.03A 3hbbA-4ntlA:
undetectable
3hbbA-4ntlA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p68 DIHYDROFOLATE
REDUCTASE


(Escherichia
coli)
PF00186
(DHFR_1)
5 ALA A   7
ASP A  27
ILE A  50
ILE A  94
TYR A 100
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
0.41A 3hbbA-4p68A:
20.1
3hbbA-4p68A:
17.62
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.
4rmb SERINE RICH REPEAT
PROTEIN-1 (SRR-1)


(Streptococcus
agalactiae)
PF10425
(SdrG_C_C)
5 ASP A 574
ILE A 599
PRO A 600
LEU A 606
ILE A 522
None
0.98A 3hbbA-4rmbA:
undetectable
3hbbA-4rmbA:
15.53
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.
4xb1 319AA LONG
HYPOTHETICAL
HOMOSERINE
DEHYDROGENASE


(Pyrococcus
horikoshii)
PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3)
5 ILE A 289
ILE A 149
PRO A 148
LEU A 153
ILE A 165
None
1.08A 3hbbA-4xb1A:
undetectable
3hbbA-4xb1A:
22.06
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6


(Saccharomyces
cerevisiae)
PF09295
(ChAPs)
5 ILE B  46
ILE B 457
LEU B 453
ILE B 464
TYR B 689
None
1.14A 3hbbA-4yg8B:
undetectable
3hbbA-4yg8B:
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE


(Eimeria tenella)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
5 VAL A 135
ALA A 276
ILE A 274
ILE A 262
ILE A 132
None
1.02A 3hbbA-4ysjA:
undetectable
3hbbA-4ysjA:
21.97
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.
4z8g TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(TP1 ABS2)


(Homo sapiens)
no annotation 5 VAL A 375
ALA A 215
ILE A 389
LEU A 392
ILE A 379
None
1.14A 3hbbA-4z8gA:
undetectable
3hbbA-4z8gA:
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.
5a9g MANGANESE SUPEROXIDE
DISMUTASE


(Sphingobacterium
spiritivorum)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
5 VAL A 164
ALA A 168
ILE A  18
ILE A 188
LEU A 160
None
1.12A 3hbbA-5a9gA:
undetectable
3hbbA-5a9gA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afe ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens)
no annotation 5 ALA A 652
ILE A 654
ILE A 630
LEU A 622
ILE A 686
None
1.09A 3hbbA-5afeA:
undetectable
3hbbA-5afeA:
14.50
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.
5bnn CAPSID PROTEIN VP2

(Enterovirus D)
PF00073
(Rhv)
5 VAL B 214
ILE B 127
PRO B 128
LEU B 161
ILE B 212
None
0.77A 3hbbA-5bnnB:
undetectable
3hbbA-5bnnB:
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.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE


(Schistosoma
mansoni)
PF01048
(PNP_UDP_1)
5 VAL A 252
ILE A  51
ILE A  86
LEU A 287
ILE A 120
None
0.98A 3hbbA-5cyfA:
undetectable
3hbbA-5cyfA:
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.
5d2e MLNE

(Bacillus
velezensis)
PF08659
(KR)
5 VAL A 330
ALA A 332
ILE A 357
LEU A 354
ILE A 302
PG4  A 603 (-4.6A)
PG4  A 603 (-3.9A)
None
None
None
1.09A 3hbbA-5d2eA:
undetectable
3hbbA-5d2eA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct)
PF00186
(DHFR_1)
5 ALA A   7
ILE A  67
LEU A  71
ILE A 111
TYR A 117
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
0.63A 3hbbA-5dxvA:
11.6
3hbbA-5dxvA:
15.28
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI


(Lactococcus
lactis)
PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
5 VAL A 320
ALA A 324
ILE A 335
LEU A 233
ILE A 318
None
1.06A 3hbbA-5ffjA:
3.0
3hbbA-5ffjA:
17.97
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.
5gva WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1


(Homo sapiens)
PF00400
(WD40)
PF12894
(ANAPC4_WD40)
5 VAL A 139
ALA A  97
ILE A  76
ILE A 120
LEU A 151
None
1.13A 3hbbA-5gvaA:
undetectable
3hbbA-5gvaA:
20.82
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.
5jb3 30S RIBOSOMAL
PROTEIN S10


(Pyrococcus
abyssi)
PF00338
(Ribosomal_S10)
5 ALA L  27
ILE L  73
MET L  82
ILE L  96
ILE L  88
None
1.08A 3hbbA-5jb3L:
undetectable
3hbbA-5jb3L:
11.24
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.
5jd3 LAE5

(uncultured
bacterium)
PF13472
(Lipase_GDSL_2)
5 ALA A 207
ILE A 204
ILE A  11
LEU A   9
ILE A 133
None
1.10A 3hbbA-5jd3A:
undetectable
3hbbA-5jd3A:
17.55
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.
5jfm ALDEHYDE
DEHYDROGENASE


(Rhodopseudomonas
palustris)
PF00171
(Aldedh)
5 VAL A 303
ILE A 342
ILE A 347
LEU A 406
ILE A 336
None
1.11A 3hbbA-5jfmA:
2.3
3hbbA-5jfmA:
22.66
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.
5jqn ALIPHATIC AMIDASE

(Nesterenkonia
sp. AN1)
PF00795
(CN_hydrolase)
5 VAL A  56
ALA A  58
ILE A  94
LEU A  42
ILE A  52
None
1.04A 3hbbA-5jqnA:
undetectable
3hbbA-5jqnA:
21.44
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.
5kin TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Streptococcus
pneumoniae)
PF00290
(Trp_syntA)
5 ALA A  70
ASP A  28
ILE A  51
LEU A  43
ILE A 236
None
1.02A 3hbbA-5kinA:
undetectable
3hbbA-5kinA:
19.73
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.
5mgx PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP8


(Homo sapiens)
PF00254
(FKBP_C)
PF07719
(TPR_2)
5 VAL E 152
ALA E 230
PRO E 190
LEU E 194
ILE E 153
None
1.10A 3hbbA-5mgxE:
undetectable
3hbbA-5mgxE:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Toxoplasma
gondii)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
6 VAL A   8
ALA A  10
ASP A  31
PRO A  88
LEU A  94
TYR A 157
73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.0A)
None
None
0.65A 3hbbA-5t0lA:
18.5
3hbbA-5t0lA:
44.80
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA


(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus)
PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn)
5 VAL A 165
ALA A 169
ILE A  73
LEU A 158
ILE A 162
None
1.00A 3hbbA-5u1cA:
undetectable
3hbbA-5u1cA:
20.88
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.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A


(Neisseria
gonorrhoeae)
PF06026
(Rib_5-P_isom_A)
5 ALA A 136
ILE A 169
PRO A 131
LEU A 175
ILE A 187
None
None
None
EDO  A 309 (-4.4A)
None
1.08A 3hbbA-5uf2A:
undetectable
3hbbA-5uf2A:
20.35
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.
5uv4 PUTATIVE
LEUCINE-RICH REPEAT
PROTEIN KINASE
FAMILY PROTEIN


(Zea mays)
PF07714
(Pkinase_Tyr)
5 VAL A 955
ALA A1020
ILE A 867
LEU A 844
ILE A 956
None
1.01A 3hbbA-5uv4A:
undetectable
3hbbA-5uv4A:
21.26
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.
5xfa NAD-REDUCING
HYDROGENASE


(Hydrogenophilus
thermoluteolus)
PF01058
(Oxidored_q6)
5 VAL C 165
ASP C 172
ILE C  16
LEU C  65
ILE C 166
None
1.14A 3hbbA-5xfaC:
undetectable
3hbbA-5xfaC:
19.53
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.
6cxm DIHYDROFOLATE
REDUCTASE


(Mycolicibacterium
smegmatis)
no annotation 7 ALA A   8
ILE A  21
ASP A  28
PRO A  52
LEU A  58
ILE A  92
TYR A  98
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
0.71A 3hbbA-6cxmA:
19.5
3hbbA-6cxmA:
8.64
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.
6g6s APOPTOTIC CHROMATIN
CONDENSATION INDUCER
IN THE NUCLEUS


(Homo sapiens)
no annotation 5 ALA A1042
ILE A1013
ILE A1016
LEU A1028
ILE A1045
None
1.03A 3hbbA-6g6sA:
undetectable
3hbbA-6g6sA:
10.56