SIMILAR PATTERNS OF AMINO ACIDS FOR 4HTF_B_SAMB301_0

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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
GLY A  50
ALA A  20
VAL A  34
VAL A  32
 FAD  A 492 (-3.3A)
None
None
None
None
 0.95A 4htfB-1aogA:
2.6		 4htfB-1aogA:
19.55
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		6 GLY A  83
GLY A  84
GLY A  85
SER A 109
VAL A 152
VAL A 154
 SAH  A 699 (-3.2A)
SAH  A 699 (-4.2A)
SAH  A 699 (-3.5A)
None
SAH  A 699 (-4.1A)
None
 1.11A 4htfB-1dl5A:
9.9		 4htfB-1dl5A:
24.71
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		6 GLY A 325
GLY A 324
GLY A 316
LEU A 321
GLN A  88
TRP A 319
 None
None
None
CL  A 605 ( 4.5A)
None
None
 1.12A 4htfB-1fsuA:
undetectable		 4htfB-1fsuA:
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.
1h31 DIHEME CYTOCHROME C

(Rhodovulum
sulfidophilum) 		no annotation 5 GLY A 201
GLY A 256
LEU A 252
SER A 253
TRP A  35
 None
 0.82A 4htfB-1h31A:
undetectable		 4htfB-1h31A:
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 GLY A 287
GLY A 286
GLY A 285
LEU A 293
VAL A 253
 None
 0.91A 4htfB-1jcfA:
undetectable		 4htfB-1jcfA:
23.16
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 GLY A  60
GLY A  61
GLY A  62
SER A  91
VAL A 148
 SAH  A 400 (-3.3A)
SAH  A 400 ( 4.1A)
SAH  A 400 (-3.2A)
SAH  A 400 (-4.7A)
SAH  A 400 ( 4.8A)
 0.41A 4htfB-1jqeA:
15.8		 4htfB-1jqeA:
22.63
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.
1mdc INSECT FATTY ACID
BINDING PROTEIN

(Manduca sexta) 		PF00061
(Lipocalin) 		5 ARG A 127
GLY A  56
GLY A  55
GLY A  54
VAL A  72
 PLM  A 133 (-3.8A)
None
None
None
None
 1.00A 4htfB-1mdcA:
undetectable		 4htfB-1mdcA:
19.93
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.
1mwz ZNTA

(Escherichia
coli) 		PF00403
(HMA) 		5 GLY A  12
LEU A  67
SER A  66
VAL A  22
VAL A  26
 None
 0.92A 4htfB-1mwzA:
undetectable		 4htfB-1mwzA:
15.79
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.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A  14
GLY A   9
GLY A   8
LEU A 143
VAL A 212
 None
None
NAD  A 401 (-3.3A)
NAD  A 401 (-3.9A)
NAD  A 401 (-3.9A)
 0.94A 4htfB-1qrrA:
6.8		 4htfB-1qrrA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A 493 (-3.2A)
None
None
None
None
 0.97A 4htfB-1typA:
2.4		 4htfB-1typA:
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ARG A 162
GLY A  94
GLY A  93
GLY A  92
ALA A  60
 None
 0.86A 4htfB-1uekA:
undetectable		 4htfB-1uekA:
22.94
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A  10
GLY A  11
GLY A  41
SER A  98
VAL A  33
VAL A 110
 FAD  A 999 (-4.8A)
FAD  A 999 (-3.3A)
FAD  A 999 (-3.1A)
None
None
None
 1.46A 4htfB-1xdiA:
3.5		 4htfB-1xdiA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 130
GLY A 129
GLY A 128
SER A 202
VAL A 156
VAL A  78
 None
 1.19A 4htfB-1xj5A:
12.3		 4htfB-1xj5A:
24.66
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.
1zoq INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		5 GLY A 271
GLY A 270
GLY A 269
SER A 231
VAL A 365
 None
 0.99A 4htfB-1zoqA:
undetectable		 4htfB-1zoqA:
20.34
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.
1zud ADENYLYLTRANSFERASE
THIF

(Escherichia
coli) 		PF00899
(ThiF) 		5 ARG 1 132
GLY 1  38
GLY 1  37
GLY 1  40
VAL 1 194
 None
 0.98A 4htfB-1zud1:
5.4		 4htfB-1zud1:
22.82
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  51
GLY A  52
SER A  73
ALA A  93
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.9A)
 0.53A 4htfB-2avnA:
22.9		 4htfB-2avnA:
25.59
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  51
GLY A  52
SER A  73
VAL A 112
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
SAI  A1300 ( 4.0A)
 0.50A 4htfB-2avnA:
22.9		 4htfB-2avnA:
25.59
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 GLY A 736
GLY A 732
LEU A 701
VAL A 793
VAL A 791
 None
 0.87A 4htfB-2bmbA:
undetectable		 4htfB-2bmbA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  50
GLY A  51
GLY A  55
LEU A 180
VAL A 166
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
None
None
 0.99A 4htfB-2c3dA:
2.3		 4htfB-2c3dA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 401
GLY A 402
GLY A 403
SER A 261
ALA A 241
 ADP  A1482 ( 3.9A)
ADP  A1482 (-3.2A)
ADP  A1482 (-3.9A)
None
None
 0.94A 4htfB-2cgjA:
undetectable		 4htfB-2cgjA:
19.44
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 139
GLY A 140
GLY A 141
ALA A 133
VAL A 112
 None
 0.96A 4htfB-2dwsA:
undetectable		 4htfB-2dwsA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  15
GLY A  14
LEU A 139
VAL A 187
 None
None
NAD  A 257 (-3.3A)
NAD  A 257 ( 4.6A)
NAD  A 257 (-4.1A)
 0.94A 4htfB-2ewmA:
7.0		 4htfB-2ewmA:
18.25
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.
2f9z CHEMOTAXIS PROTEIN
CHEC

(Thermotoga
maritima) 		PF04509
(CheC) 		5 GLY A  15
GLY A  18
LEU A 125
VAL A 168
VAL A 166
 None
 0.94A 4htfB-2f9zA:
undetectable		 4htfB-2f9zA:
19.51
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.
2fx5 LIPASE

(Pseudomonas
mendocina) 		no annotation 6 GLY A  55
GLY A 128
GLY A 131
LEU A  53
ALA A  81
HIS A 125
 None
 1.10A 4htfB-2fx5A:
2.8		 4htfB-2fx5A:
20.07
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		5 ARG A  74
GLY A  94
GLY A  93
GLY A  92
LEU A  87
 None
 1.01A 4htfB-2gdjA:
undetectable		 4htfB-2gdjA:
22.67
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		6 GLY A  37
GLY A  40
GLY A   9
SER A   7
VAL A  42
VAL A  14
 None
 1.43A 4htfB-2ld4A:
8.5		 4htfB-2ld4A:
23.10
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		6 GLY A  37
GLY A  40
GLY A   9
SER A   7
VAL A  42
VAL A  29
 None
 1.34A 4htfB-2ld4A:
8.5		 4htfB-2ld4A:
23.10
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.
2ld4 ANAMORSIN

(Homo sapiens) 		PF08241
(Methyltransf_11) 		6 GLY A  37
GLY A  40
LEU A  35
SER A   7
VAL A  42
VAL A  29
 None
 1.39A 4htfB-2ld4A:
8.5		 4htfB-2ld4A:
23.10
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.
2w1p AQUAPORIN PIP2-7
7


(Komagataella
pastoris) 		PF00230
(MIP) 		5 GLY A 163
GLY A 164
GLY A 165
SER A 167
ALA A 161
 None
None
None
BOG  A1275 (-2.6A)
None
 0.98A 4htfB-2w1pA:
undetectable		 4htfB-2w1pA:
20.58
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1491 (-3.3A)
None
None
None
None
 0.94A 4htfB-2wbaA:
2.5		 4htfB-2wbaA:
19.88
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1487 (-3.1A)
None
None
None
None
 1.01A 4htfB-2x50A:
2.2		 4htfB-2x50A:
20.54
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.
3a77 INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		6 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
None
None
None
MPD  A3002 (-3.6A)
None
 1.33A 4htfB-3a77A:
undetectable		 4htfB-3a77A:
20.27
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
LEU A  73
SER A  74
VAL A 119
 None
 0.88A 4htfB-3bkwA:
17.4		 4htfB-3bkwA:
25.37
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A  81
GLY A  80
GLY A  79
ALA A  46
VAL A 143
 None
 0.90A 4htfB-3cj1A:
undetectable		 4htfB-3cj1A:
20.92
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		5 GLY A 325
GLY A 173
GLY A 174
ALA A 170
VAL A 148
 None
PLP  A 534 (-3.4A)
PLP  A 534 (-3.4A)
None
None
 1.00A 4htfB-3fddA:
3.3		 4htfB-3fddA:
20.79
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  69
SER A  70
TRP A 125
 SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.1A)
SAH  A 308 (-4.8A)
T8N  A 309 (-3.9A)
 0.51A 4htfB-3g5tA:
14.1		 4htfB-3g5tA:
22.63
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
GLY A  95
GLY A  96
LEU A 118
ALA A 145
 None
FMT  A 315 (-4.3A)
FMT  A 315 ( 4.2A)
None
None
 0.80A 4htfB-3gjyA:
12.9		 4htfB-3gjyA:
21.17
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.
3hra ANKYRIN REPEAT
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 GLY A 107
GLY A 106
SER A  72
ALA A  81
GLN A  82
 CL  A 202 (-3.5A)
None
None
None
None
 0.94A 4htfB-3hraA:
undetectable		 4htfB-3hraA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ARG A 701
GLY A 721
GLY A 723
SER A 747
VAL A 797
 G  B  22 (-3.9A)
SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
U  C   1 (-2.6A)
SAH  A 951 (-3.9A)
 0.52A 4htfB-3htxA:
15.5		 4htfB-3htxA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 GLY A  15
GLY A  72
GLY A  73
ALA A 106
VAL A 238
 None
 1.01A 4htfB-3iuuA:
3.2		 4htfB-3iuuA:
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.
3k4y ISOPENTENYL
PHOSPHATE KINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase) 		5 GLY A  54
GLY A  55
GLY A  56
SER A  10
HIS A 143
 IPE  A 300 (-2.9A)
IPE  A 300 (-3.3A)
IPE  A 300 (-3.4A)
None
None
 1.01A 4htfB-3k4yA:
3.2		 4htfB-3k4yA:
20.67
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 432
GLY A 433
LEU A 519
SER A 461
VAL A 364
 None
 0.98A 4htfB-3komA:
undetectable		 4htfB-3komA:
17.99
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ARG A 154
GLY A 174
GLY A 173
GLY A 172
LEU A 167
 None
 0.95A 4htfB-3ldaA:
4.1		 4htfB-3ldaA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ARG A 154
GLY A 174
GLY A 173
GLY A 172
VAL A 322
 None
 0.83A 4htfB-3ldaA:
4.1		 4htfB-3ldaA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  25
GLY A  22
SER A 211
VAL A  18
VAL A  40
 None
FDA  A 547 (-3.1A)
None
None
None
 0.87A 4htfB-3ljpA:
undetectable		 4htfB-3ljpA:
19.51
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.
3nze PUTATIVE
TRANSCRIPTIONAL
REGULATOR,
SUGAR-BINDING FAMILY

(Paenarthrobacter
aurescens) 		PF04198
(Sugar-bind) 		5 GLY A 162
GLY A 166
LEU A 127
VAL A 137
VAL A 114
 None
 1.01A 4htfB-3nzeA:
2.7		 4htfB-3nzeA:
23.83
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.
3o26 SALUTARIDINE
REDUCTASE

(Papaver
somniferum) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 GLY A  25
GLY A  20
GLY A  19
ALA A 284
VAL A 267
 None
NDP  A 312 ( 4.9A)
NDP  A 312 (-3.4A)
None
NDP  A 312 (-4.1A)
 0.84A 4htfB-3o26A:
7.3		 4htfB-3o26A:
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 207
GLY A 206
GLY A 205
HIS A 244
VAL A 232
 SAH  A 401 (-3.6A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-3.8A)
None
None
 0.80A 4htfB-3p9cA:
13.9		 4htfB-3p9cA:
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 ARG B 253
GLY B 642
GLY B 643
LEU B 624
SER B 625
 None
 1.00A 4htfB-3u44B:
3.1		 4htfB-3u44B:
12.84
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 GLY A 136
SER A 207
ALA A 142
VAL A 278
VAL A 276
 None
 0.96A 4htfB-3ugkA:
2.7		 4htfB-3ugkA:
21.28
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A 105
GLY A 107
LEU A 128
SER A 129
VAL A 178
 SAH  A 302 (-3.4A)
SAH  A 302 (-3.3A)
SAH  A 302 (-4.1A)
None
None
 0.67A 4htfB-3vc1A:
17.0		 4htfB-3vc1A:
26.42
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 GLY A 288
GLY A 289
GLY A 283
LEU A 286
VAL A  79
 LLP  A 285 ( 3.4A)
None
LLP  A 285 ( 4.4A)
LLP  A 285 ( 4.3A)
None
 1.01A 4htfB-3w1jA:
undetectable		 4htfB-3w1jA:
22.81
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A  75
GLY A 114
GLY A 115
VAL A  68
VAL A  63
 None
 1.01A 4htfB-4b46A:
3.2		 4htfB-4b46A:
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.
4b67 L-ORNITHINE N5
MONOOXYGENASE

(Aspergillus
fumigatus) 		PF13434
(K_oxygenase) 		5 GLY A 211
GLY A 212
SER A 466
ALA A 209
TRP A  90
 FAD  A1492 (-3.1A)
None
None
FAD  A1492 (-4.8A)
FAD  A1492 (-4.4A)
 0.92A 4htfB-4b67A:
2.7		 4htfB-4b67A:
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.
4d7a TRNA
THREONYLCARBAMOYLADE
NOSINE DEHYDRATASE

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY A 153
GLY A 154
SER A 206
ALA A 252
VAL A  41
 None
None
K  A 301 (-4.4A)
None
None
 1.00A 4htfB-4d7aA:
undetectable		 4htfB-4d7aA:
20.39
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 241
GLY A 130
LEU A 206
SER A 207
VAL A 101
 None
 0.97A 4htfB-4dpgA:
undetectable		 4htfB-4dpgA:
19.81
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 185
GLY A 180
GLY A 179
SER A 245
ALA A 154
 None
 0.96A 4htfB-4dvjA:
8.5		 4htfB-4dvjA:
26.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 GLY A 179
GLY A 176
GLY A 175
LEU A  10
ALA A 184
 None
None
CIT  A 301 ( 4.3A)
None
None
 1.01A 4htfB-4eelA:
2.4		 4htfB-4eelA:
30.42
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		6 ARG A 436
GLY A 433
GLY A 432
LEU A 394
HIS A 435
VAL A 422
 None
 1.26A 4htfB-4f0lA:
undetectable		 4htfB-4f0lA:
21.49
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 113
GLY A 115
LEU A 136
SER A 137
VAL A 186
 None
 0.74A 4htfB-4f85A:
17.6		 4htfB-4f85A:
23.61
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.
4h0n DNMT2

(Spodoptera
frugiperda) 		PF00145
(DNA_methylase) 		6 GLY A  14
GLY A  13
GLY A  11
LEU A  73
ALA A  18
VAL A 318
 SAH  A 401 (-3.7A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-3.3A)
None
None
SAH  A 401 (-4.4A)
 1.12A 4htfB-4h0nA:
8.1		 4htfB-4h0nA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		12 ARG B  26
GLY B  52
GLY B  53
GLY B  54
LEU B  74
SER B  75
ALA B 102
GLN B 103
HIS B 119
VAL B 121
TRP B 124
VAL B 125
 SO4  B 302 ( 4.1A)
SAM  B 301 (-3.5A)
SAM  B 301 (-3.8A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.7A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
None
SAM  B 301 ( 4.3A)
None
None
 0.00A 4htfB-4htfB:
43.2		 4htfB-4htfB:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
LEU A 255
SER A 256
ALA A 282
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
 0.76A 4htfB-4ineA:
16.7		 4htfB-4ineA:
22.44
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 GLY A 340
LEU A 336
SER A 335
VAL A 409
VAL A 381
 None
 0.95A 4htfB-4j5uA:
3.3		 4htfB-4j5uA:
23.63
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 GLY A 333
GLY A 338
GLY A 337
LEU A 263
VAL A 330
 None
 1.01A 4htfB-4jncA:
2.5		 4htfB-4jncA:
23.37
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
LEU A 251
SER A 252
ALA A 278
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
 0.60A 4htfB-4kriA:
16.8		 4htfB-4kriA:
21.87
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.
4kwy PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caulobacter
vibrioides) 		PF04390
(LptE) 		5 GLY A  48
GLY A  49
LEU A  56
ALA A 148
VAL A 100
 None
 0.97A 4htfB-4kwyA:
undetectable		 4htfB-4kwyA:
19.23
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB) 		5 GLY B   6
GLY B  33
SER B  19
VAL B  49
VAL B 103
 None
 1.00A 4htfB-4lfnB:
undetectable		 4htfB-4lfnB:
21.11
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.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 167
GLY A 168
ALA A 192
VAL A 206
VAL A 210
 None
 0.90A 4htfB-4mggA:
undetectable		 4htfB-4mggA:
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
LEU A  69
SER A  70
ALA A  95
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-3.2A)
 0.37A 4htfB-4necA:
16.0		 4htfB-4necA:
26.42
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.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  29
GLY A  24
GLY A  23
LEU A 148
VAL A 196
 None
None
None
ACT  A 301 (-4.2A)
None
 0.90A 4htfB-4npcA:
7.2		 4htfB-4npcA:
23.57
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  12
GLY A  13
GLY A  17
LEU A 264
VAL A 246
 FAD  A 700 (-3.2A)
FAD  A 700 ( 4.8A)
None
None
None
 0.93A 4htfB-4udrA:
undetectable		 4htfB-4udrA:
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.
4y4m PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF01946
(Thi4) 		5 GLY A  72
GLY A  73
GLY A  74
SER A 114
ALA A 122
 None
48F  A 301 (-3.1A)
48F  A 301 (-3.9A)
None
None
 0.95A 4htfB-4y4mA:
undetectable		 4htfB-4y4mA:
25.16
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.
4z3k SEPIAPTERIN
REDUCTASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  72
LEU A 131
SER A 127
VAL A  63
VAL A  35
 None
 0.99A 4htfB-4z3kA:
5.9		 4htfB-4z3kA:
26.92
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 GLY I 311
GLY I 312
GLY I 315
LEU I   6
ALA I 309
 None
 0.99A 4htfB-5a5uI:
undetectable		 4htfB-5a5uI:
19.72
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
SER Z  85
ALA Z 106
VAL Z 124
 None
 0.72A 4htfB-5cm2Z:
15.3		 4htfB-5cm2Z:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 213
GLY A 212
GLY A 211
HIS A 250
VAL A 238
 SAH  A 401 ( 3.7A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-3.8A)
None
None
 0.78A 4htfB-5cvvA:
13.2		 4htfB-5cvvA:
22.25
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		7 GLY A  51
GLY A  53
LEU A  75
SER A  76
HIS A 118
VAL A 120
VAL A 124
 None
 1.32A 4htfB-5dooA:
16.0		 4htfB-5dooA:
17.76
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		6 GLY A  79
LEU A 103
SER A 104
HIS A 146
VAL A 148
VAL A 152
 SAM  A 601 (-3.8A)
SAM  A 601 (-4.2A)
SAM  A 601 (-4.9A)
SAM  A 601 (-3.8A)
None
None
 1.18A 4htfB-5dpdA:
15.8		 4htfB-5dpdA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  67
SER A  68
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.8A)
SAH  A 301 (-3.6A)
 0.49A 4htfB-5epeA:
12.9		 4htfB-5epeA:
26.60
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 GLY A 378
GLY A 379
SER A 431
ALA A 427
VAL A 465
 None
 0.94A 4htfB-5fnuA:
undetectable		 4htfB-5fnuA:
21.74
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.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		6 GLY A 121
GLY A 122
GLY A 127
LEU A 133
VAL A 144
VAL A 141
 None
 1.42A 4htfB-5kreA:
2.7		 4htfB-5kreA:
22.65
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		5 GLY A 216
GLY A 215
GLY A 214
SER A 345
ALA A 250
 LMR  A 601 (-3.1A)
LMR  A 601 ( 4.3A)
SF4  A 608 (-3.4A)
None
LMR  A 602 ( 3.8A)
 0.99A 4htfB-5l2rA:
undetectable		 4htfB-5l2rA:
20.20
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		6 GLY A  20
GLY A  19
GLY A  17
LEU A 102
VAL A  13
VAL A  35
 None
FAD  A 601 (-3.5A)
FAD  A 601 (-3.3A)
None
None
None
 1.11A 4htfB-5m10A:
undetectable		 4htfB-5m10A:
18.90
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
ALA A  97
GLN A  98
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.2A)
 0.72A 4htfB-5m58A:
15.5		 4htfB-5m58A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLY A1516
GLY A1513
GLY A1512
LEU A1780
VAL A1522
 None
 1.00A 4htfB-5m59A:
undetectable		 4htfB-5m59A:
9.93
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
ALA A  97
GLN A  98
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
 0.70A 4htfB-5mgzA:
15.6		 4htfB-5mgzA:
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 GLY A 146
GLY A 144
GLY A 143
SER A 187
VAL A   9
VAL A 137
 GTP  A 500 ( 4.4A)
GTP  A 500 (-2.9A)
GTP  A 500 (-3.0A)
None
None
None
 1.29A 4htfB-5nd4A:
undetectable		 4htfB-5nd4A:
21.96
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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 5 GLY A  99
GLY A 104
GLY A 103
LEU A  30
VAL A  96
 None
 1.01A 4htfB-5ng7A:
2.2		 4htfB-5ng7A:
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 6 GLY A  13
GLY A  10
LEU A 105
ALA A  16
VAL A  29
VAL A  27
 None
FAD  A 500 (-3.3A)
None
None
None
None
 1.38A 4htfB-5nmwA:
undetectable		 4htfB-5nmwA:
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 5 GLY A  13
GLY A  10
LEU A 105
VAL A   6
VAL A  27
 None
FAD  A 500 (-3.3A)
None
None
None
 0.96A 4htfB-5nmwA:
undetectable		 4htfB-5nmwA:
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 GLY A  14
GLY A  11
SER A 210
VAL A   7
VAL A  29
 None
FAD  A 602 (-3.3A)
None
None
None
 0.85A 4htfB-5oc1A:
undetectable		 4htfB-5oc1A:
18.99
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 GLY A1045
GLY A1044
LEU A1078
SER A1077
ALA A1083
 None
 0.99A 4htfB-5v57A:
undetectable		 4htfB-5v57A:
17.15
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		5 GLY A 226
ALA A 201
HIS A 223
VAL A 221
VAL A 219
 None
 0.88A 4htfB-5vn5A:
undetectable		 4htfB-5vn5A:
20.17
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 GLY A 268
LEU A 264
ALA A 275
GLN A 241
VAL A 327
 None
None
AFY  A 401 (-3.6A)
None
AFY  A 401 ( 4.6A)
 0.97A 4htfB-5wgcA:
undetectable		 4htfB-5wgcA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 GLY A 542
GLY A 544
SER A 565
ALA A 593
VAL A 612
 SAH  A1002 (-3.7A)
SAH  A1002 (-3.4A)
SAH  A1002 ( 4.9A)
SAH  A1002 (-3.6A)
SAH  A1002 (-4.3A)
 0.58A 4htfB-5wmmA:
15.4		 4htfB-5wmmA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 629
GLY A 628
GLY A 627
SER A 625
VAL A 618
 None
 0.84A 4htfB-5xogA:
undetectable		 4htfB-5xogA:
9.52
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 5 ARG A 241
GLY A 130
LEU A 206
SER A 207
VAL A 101
 None
 0.94A 4htfB-6chdA:
undetectable		 4htfB-6chdA:
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.
6fmq -

(-) 		no annotation 5 GLY A 378
GLY A 379
SER A 431
ALA A 427
VAL A 465
 None
 0.94A 4htfB-6fmqA:
undetectable		 4htfB-6fmqA:
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 5 GLY A 149
GLY A 148
GLY A 147
GLN A 309
VAL A 135
 FAD  A 600 (-3.6A)
None
None
None
FAD  A 600 (-3.3A)
 0.96A 4htfB-6fydA:
undetectable		 4htfB-6fydA:
undetectable