SIMILAR PATTERNS OF AMINO ACIDS FOR 1QZZ_A_SAMA635

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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 TYR A 156
GLY A 124
LEU A 297
PRO A  65
PHE A 345
 None
CLL  A 801 (-3.3A)
None
None
CLL  A 801 ( 4.9A)
 1.16A 1qzzA-1cleA:
undetectable		 1qzzA-1cleA:
22.18
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  84
GLY A  85
GLU A 107
ASP A 134
 SAH  A 699 (-3.2A)
SAH  A 699 (-4.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
 0.67A 1qzzA-1dl5A:
8.9		 1qzzA-1dl5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dwu RIBOSOMAL PROTEIN L1

(Methanothermococcus
thermolithotrophicus) 		PF00687
(Ribosomal_L1) 		5 GLY A 127
GLY A 124
LEU A 119
PHE A 105
ASN A 100
 None
 1.17A 1qzzA-1dwuA:
undetectable		 1qzzA-1dwuA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 GLY A 158
GLY A 157
LEU A 101
PRO A 105
ASP A 134
 None
None
None
None
SO4  A 903 (-3.8A)
 0.99A 1qzzA-1e3hA:
undetectable		 1qzzA-1e3hA:
20.26
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 196
GLY A 197
GLY A 198
ASP A 239
ASN A 258
TRP A 259
 SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
SAH  A1699 ( 3.9A)
SAH  A1699 (-3.8A)
HMO  A2000 (-3.1A)
None
 0.58A 1qzzA-1fp2A:
26.3		 1qzzA-1fp2A:
26.97
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 TRP A 151
GLY A 196
GLY A 197
GLY A 198
ASP A 239
TRP A 259
 SAH  A1699 ( 3.8A)
SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
SAH  A1699 ( 3.9A)
SAH  A1699 (-3.8A)
None
 0.82A 1qzzA-1fp2A:
26.3		 1qzzA-1fp2A:
26.97
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 217
GLY A 218
GLY A 219
LEU A 241
ASP A 260
ASN A 279
TRP A 280
 SAM  A1699 (-3.6A)
None
None
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-4.0A)
None
 0.53A 1qzzA-1fpqA:
10.0		 1qzzA-1fpqA:
26.10
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A   7
GLY A  13
GLY A  16
GLY A  15
ASN A 304
 None
FAD  A 451 (-3.0A)
None
FAD  A 451 (-3.5A)
None
 1.20A 1qzzA-1geuA:
2.4		 1qzzA-1geuA:
23.24
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 230
GLY A 202
GLY A 203
LEU A 228
ASN A 235
 ADP  A 383 (-3.2A)
ADP  A 383 (-3.2A)
None
None
None
 0.88A 1qzzA-1hjoA:
undetectable		 1qzzA-1hjoA:
25.35
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 TYR A  41
GLY A 230
GLY A 202
LEU A 228
ASN A 235
 None
ADP  A 383 (-3.2A)
ADP  A 383 (-3.2A)
None
None
 0.93A 1qzzA-1hjoA:
undetectable		 1qzzA-1hjoA:
25.35
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 TYR A 428
GLY A 405
GLU A 466
PRO A 372
ASP A  61
 None
 1.20A 1qzzA-1hxjA:
undetectable		 1qzzA-1hxjA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  83
GLY A  84
GLU A 104
ASP A 141
 None
 0.68A 1qzzA-1mjfA:
12.3		 1qzzA-1mjfA:
20.73
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 306
GLY A 305
GLY A 304
LEU A 152
PRO A 284
 None
 1.17A 1qzzA-1n8pA:
2.9		 1qzzA-1n8pA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		5 TYR A   8
GLY A  85
GLY A  86
ASP A  94
ASN A 170
 None
 1.18A 1qzzA-1narA:
undetectable		 1qzzA-1narA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 TYR A  25
GLY A  44
GLY A  46
ASP A  94
TRP A 114
 None
 1.00A 1qzzA-1nkvA:
16.8		 1qzzA-1nkvA:
20.98
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		5 GLY A  74
GLY A  75
GLU A 103
LEU A 131
ASN A 227
 SO4  A 301 (-3.0A)
SO4  A 301 (-3.6A)
SO4  A 301 (-3.4A)
None
None
 1.21A 1qzzA-1qwgA:
undetectable		 1qzzA-1qwgA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		12 TRP A 146
TYR A 171
GLY A 190
GLY A 191
GLY A 192
GLU A 213
LEU A 214
PRO A 217
ASP A 240
PHE A 241
ASN A 260
TRP A 261
 SAM  A 635 (-4.2A)
ACT  A 421 ( 4.2A)
SAM  A 635 (-3.8A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-4.6A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
SAM  A 635 (-3.8A)
None
 0.03A 1qzzA-1qzzA:
52.8		 1qzzA-1qzzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		10 TRP A 146
TYR A 171
GLY A 192
GLY A 191
GLU A 213
LEU A 214
ASP A 240
PHE A 241
ASN A 260
TRP A 261
 SAM  A 635 (-4.2A)
ACT  A 421 ( 4.2A)
SAM  A 635 (-3.5A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
SAM  A 635 (-3.8A)
None
 1.50A 1qzzA-1qzzA:
52.8		 1qzzA-1qzzA:
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.
1u2v ACTIN-RELATED
PROTEIN 2

(Bos taurus) 		PF00022
(Actin) 		5 GLY B 256
GLY B 255
GLU B 257
LEU B 196
PHE B 259
 None
 1.12A 1qzzA-1u2vB:
undetectable		 1qzzA-1u2vB:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 TRP A 313
GLY A 586
GLY A 572
GLY A 588
ASP A 578
 None
 0.97A 1qzzA-1ulvA:
undetectable		 1qzzA-1ulvA:
17.70
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 TYR A  83
GLY A 149
GLY A 148
GLY A 147
PHE A 150
 None
 1.01A 1qzzA-1vblA:
undetectable		 1qzzA-1vblA:
21.23
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.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 178
GLY A 179
LEU A 201
ASP A 227
 SAH  A4261 (-3.8A)
SAH  A4261 ( 4.2A)
SAH  A4261 (-3.3A)
SAH  A4261 (-4.0A)
SAH  A4261 (-2.9A)
 0.43A 1qzzA-1x1bA:
13.1		 1qzzA-1x1bA:
26.98
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 129
GLY A 130
GLU A 151
ASP A 182
 None
 0.48A 1qzzA-1xj5A:
4.4		 1qzzA-1xj5A:
24.26
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 TYR A 106
GLY A 128
GLY A 129
GLY A 130
GLU A 151
 None
 1.18A 1qzzA-1xj5A:
4.4		 1qzzA-1xj5A:
24.26
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.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 207
GLY A 208
GLY A 209
ASP A 250
TRP A 270
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
SAH  A3994 ( 4.0A)
SAH  A3994 (-3.4A)
None
 0.63A 1qzzA-1zgjA:
19.3		 1qzzA-1zgjA:
29.08
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 557
GLY B 558
GLY B 559
ASN B 660
TRP B 662
 None
 0.88A 1qzzA-2fffB:
undetectable		 1qzzA-2fffB:
23.88
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.
2lt3 TRANSCRIPTIONAL
REGULATOR, CARD
FAMILY

(Myxococcus
xanthus) 		no annotation 5 GLY A  75
GLU A  76
LEU A  66
ASP A  62
ASN A  38
 None
 1.20A 1qzzA-2lt3A:
undetectable		 1qzzA-2lt3A:
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 S4M  A 501 (-3.4A)
S4M  A 501 (-4.2A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
 0.80A 1qzzA-2pt6A:
12.5		 1qzzA-2pt6A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  16
GLU A  38
ASP A  85
ASN A 250
 FAD  A 348 (-3.3A)
FAD  A 348 ( 4.9A)
FAD  A 348 (-2.7A)
None
FAD  A 348 ( 4.1A)
 1.02A 1qzzA-2q7vA:
3.3		 1qzzA-2q7vA:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 TYR A 160
GLY A 236
GLY A 235
GLY A  58
PHE A 199
 None
 1.21A 1qzzA-2qmiA:
undetectable		 1qzzA-2qmiA:
21.67
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 201
GLY A 202
GLY A 203
ASP A 244
TRP A 264
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 ( 3.8A)
SAH  A 601 (-3.5A)
None
 0.43A 1qzzA-2qyoA:
3.8		 1qzzA-2qyoA:
26.87
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.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLY A  61
GLY A  60
LEU A 163
PRO A 304
ASN A  52
 None
 0.95A 1qzzA-2vhdA:
undetectable		 1qzzA-2vhdA:
24.17
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  70
GLY A  71
PRO A 104
ASP A 219
PHE A 218
 None
 1.15A 1qzzA-2x3nA:
undetectable		 1qzzA-2x3nA:
25.36
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		5 GLY A 317
GLY A 335
LEU A 332
PHE A 320
TRP A 298
 None
 1.18A 1qzzA-2z61A:
2.9		 1qzzA-2z61A:
19.80
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 TYR A 417
GLY A 359
GLY A 360
GLU A 361
LEU A 219
 None
UD2  A 683 ( 4.3A)
None
UD2  A 683 (-3.6A)
UD2  A 683 (-3.7A)
 1.05A 1qzzA-2z87A:
3.0		 1qzzA-2z87A:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  85
GLY A  86
GLU A 107
ASP A 144
 None
AG3  A1001 ( 4.9A)
None
None
None
 0.74A 1qzzA-2zsuA:
12.5		 1qzzA-2zsuA:
20.66
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 199
GLY A 200
GLU A 220
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 0.59A 1qzzA-3c6mA:
14.8		 1qzzA-3c6mA:
25.79
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.
3doj DEHYDROGENASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 110
GLY A 112
GLY A 113
LEU A  81
ASN A 105
 None
 1.20A 1qzzA-3dojA:
5.0		 1qzzA-3dojA:
23.38
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 232
GLY A 204
GLY A 205
LEU A 230
ASN A 237
 ADP  A 386 (-3.3A)
ADP  A 386 (-3.2A)
None
None
None
 0.83A 1qzzA-3fe1A:
undetectable		 1qzzA-3fe1A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		7 GLY A 190
GLY A 191
GLY A 192
GLU A 213
ASP A 240
PHE A 241
TRP A 261
 SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.6A)
SAH  A 350 (-2.9A)
SAH  A 350 (-3.4A)
SAH  A 350 (-3.6A)
None
 0.30A 1qzzA-3gxoA:
32.4		 1qzzA-3gxoA:
32.24
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 TYR A 125
GLY A 207
GLY A 179
LEU A 330
PRO A 204
 None
 1.22A 1qzzA-3h2iA:
2.1		 1qzzA-3h2iA:
23.86
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.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 TRP A  65
GLY A  72
GLY A  73
GLU A  74
ASP A 201
 None
 1.14A 1qzzA-3i4yA:
undetectable		 1qzzA-3i4yA:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		7 GLY A 177
GLY A 178
GLY A 179
LEU A 201
PRO A 204
PHE A 228
TRP A 248
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.4A)
None
 0.32A 1qzzA-3i58A:
35.2		 1qzzA-3i58A:
43.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		7 TRP A 133
GLY A 177
GLY A 178
LEU A 201
PRO A 204
PHE A 228
TRP A 248
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.4A)
None
 0.74A 1qzzA-3i58A:
35.2		 1qzzA-3i58A:
43.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 TRP A 133
GLY A 179
LEU A 201
PHE A 228
TRP A 248
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 (-3.4A)
None
 1.15A 1qzzA-3i58A:
35.2		 1qzzA-3i58A:
43.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		6 TYR A 158
GLY A 177
GLY A 178
LEU A 201
PHE A 228
TRP A 248
 None
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 (-3.4A)
None
 1.16A 1qzzA-3i58A:
35.2		 1qzzA-3i58A:
43.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 GLY A 419
GLY A 418
GLY A 417
GLU A 422
ASN A 483
 None
 1.15A 1qzzA-3j1cA:
undetectable		 1qzzA-3j1cA:
22.93
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		5 GLY A 246
GLY A 218
GLY A 219
LEU A 244
ASN A 251
 ADP  A 401 (-3.3A)
ADP  A 401 (-3.3A)
None
None
None
 0.87A 1qzzA-3l4iA:
2.2		 1qzzA-3l4iA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		7 GLY A 189
GLY A 190
GLY A 191
ASP A 237
PHE A 238
ASN A 256
TRP A 257
 SAH  A 346 (-4.0A)
SAH  A 346 (-3.6A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.4A)
None
None
 0.49A 1qzzA-3lstA:
3.0		 1qzzA-3lstA:
34.37
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 GLY A 184
GLY A 291
LEU A  25
PRO A 284
PHE A 186
 None
None
None
None
CXM  A   1 ( 4.9A)
 1.12A 1qzzA-3m6xA:
12.1		 1qzzA-3m6xA:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 GLY A  73
GLY A  71
GLY A  70
PRO A  69
ASP A  80
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 1.19A 1qzzA-3noqA:
3.3		 1qzzA-3noqA:
23.24
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.
3o31 THERMONICOTIANAMINE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF03059
(NAS) 		5 TYR A 107
GLY A 130
GLY A 131
GLY A 132
ASP A 180
 3O3  A   1 (-3.8A)
None
None
None
None
 1.20A 1qzzA-3o31A:
15.1		 1qzzA-3o31A:
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  86
GLY A  87
GLU A 108
ASP A 139
 None
 1.12A 1qzzA-3o4fA:
12.7		 1qzzA-3o4fA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  86
GLY A  87
GLU A 108
ASP A 140
 None
 0.83A 1qzzA-3o4fA:
12.7		 1qzzA-3o4fA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 205
GLY A 206
GLY A 207
LEU A 229
ASP A 248
TRP A 268
 SAH  A 401 (-3.8A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
None
 0.37A 1qzzA-3p9cA:
19.7		 1qzzA-3p9cA:
27.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 GLY M 129
GLY M 126
GLY M 125
LEU M   6
PRO M  10
 None
 0.97A 1qzzA-3rkoM:
undetectable		 1qzzA-3rkoM:
21.99
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		5 GLY A  40
GLY A  39
GLY A  38
LEU A  45
PHE A 297
 None
FMT  A 370 (-3.8A)
FMT  A 370 (-3.7A)
None
GOL  A 364 (-4.9A)
 1.18A 1qzzA-3rpwA:
undetectable		 1qzzA-3rpwA:
23.29
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
GLY A 102
GLY A 103
GLU A 124
ASP A 155
 DSH  A 303 (-3.4A)
DSH  A 303 ( 4.7A)
DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.5A)
 0.76A 1qzzA-3rw9A:
11.7		 1qzzA-3rw9A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 697
GLY A 698
GLU A 692
LEU A 689
ASN A 568
 None
SO4  A   2 (-3.3A)
None
None
None
 1.11A 1qzzA-3tt0A:
undetectable		 1qzzA-3tt0A:
21.41
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.86A 1qzzA-3u9wA:
undetectable		 1qzzA-3u9wA:
21.60
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 GLY A 175
GLY A 166
GLY A 165
GLU A 174
LEU A 173
 None
None
None
None
ZN  A 401 ( 4.9A)
 1.18A 1qzzA-3vovA:
undetectable		 1qzzA-3vovA:
25.58
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
GLY A 188
GLY A 189
ASP A 236
PHE A 237
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
 0.58A 1qzzA-4a6eA:
23.5		 1qzzA-4a6eA:
26.58
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
GLY A 188
GLY A 189
ASP A 236
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
None
 0.62A 1qzzA-4a6eA:
23.5		 1qzzA-4a6eA:
26.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d7k SAM-DEPENDENT
METHYLTRANSFERASES

(Streptomyces
davaonensis) 		PF00891
(Methyltransf_2) 		6 GLY A 186
GLY A 187
GLY A 188
ASP A 236
PHE A 237
TRP A 257
 None
 1.48A 1qzzA-4d7kA:
21.0		 1qzzA-4d7kA:
32.11
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.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
ASP A 222
PHE A 223
 AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-2.6A)
AW2  A 502 (-3.5A)
AW2  A 502 (-3.4A)
 0.84A 1qzzA-4er6A:
3.9		 1qzzA-4er6A:
24.78
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.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
PRO A 191
ASP A 222
 AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-2.6A)
AW2  A 502 ( 4.8A)
AW2  A 502 (-3.5A)
 0.74A 1qzzA-4er6A:
3.9		 1qzzA-4er6A:
24.78
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 209
GLY A 210
LEU A 232
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.4A)
None
 0.54A 1qzzA-4eviA:
25.3		 1qzzA-4eviA:
26.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 GLY A 188
GLY A 166
GLY A 167
LEU A 362
ASP A 359
 None
 1.06A 1qzzA-4gizA:
undetectable		 1qzzA-4gizA:
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 TYR A 334
GLY A 365
GLY A 367
GLU A 392
ASP A 419
 0XU  A 701 (-4.6A)
0XU  A 701 (-2.9A)
0XU  A 701 ( 3.7A)
0XU  A 701 (-2.9A)
0XU  A 701 (-2.9A)
 0.95A 1qzzA-4gqbA:
8.9		 1qzzA-4gqbA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		5 TRP A 161
GLY A 110
GLY A 111
LEU A 105
PRO A 137
 None
 1.11A 1qzzA-4h18A:
undetectable		 1qzzA-4h18A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 GLY A 230
GLY A 202
GLY A 203
LEU A 228
ASN A 235
 ADP  A 601 (-3.4A)
ADP  A 601 (-3.4A)
None
None
None
 0.87A 1qzzA-4j8fA:
undetectable		 1qzzA-4j8fA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 TYR A  41
GLY A 230
GLY A 202
LEU A 228
ASN A 235
 None
ADP  A 601 (-3.4A)
ADP  A 601 (-3.4A)
None
None
 1.00A 1qzzA-4j8fA:
undetectable		 1qzzA-4j8fA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 239
GLY A 240
GLU A 261
ASP A 283
ASN A 306
 AGS  A 502 (-3.3A)
AGS  A 502 ( 4.9A)
AGS  A 502 (-2.4A)
AGS  A 502 (-2.9A)
AGS  A 502 (-2.8A)
 0.95A 1qzzA-4j9vA:
8.3		 1qzzA-4j9vA:
26.07
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.
4l4i RYANODINE RECEPTOR 2

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 TYR A 356
GLY A 286
GLY A 230
GLY A 231
LEU A  62
 None
 1.21A 1qzzA-4l4iA:
undetectable		 1qzzA-4l4iA:
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.
4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY

(Yersinia
frederiksenii) 		PF01758
(SBF) 		5 GLY A 238
GLY A 237
GLY A 234
ASP A 244
PHE A 243
 None
 1.09A 1qzzA-4n7wA:
undetectable		 1qzzA-4n7wA:
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 206
GLY A 207
GLY A 208
LEU A 230
ASP A 249
TRP A 269
 SAM  A 401 (-3.8A)
SAM  A 401 ( 3.9A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
None
 0.55A 1qzzA-4pghA:
19.9		 1qzzA-4pghA:
27.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
GLY A 179
GLY A 180
ASP A 228
TRP A 250
 None
 0.61A 1qzzA-4qvgA:
21.5		 1qzzA-4qvgA:
30.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 GLY A 249
GLY A 191
GLY A 190
LEU A 254
ASN A 246
 None
 1.19A 1qzzA-4r2bA:
undetectable		 1qzzA-4r2bA:
23.34
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
 0.76A 1qzzA-4uoeA:
12.0		 1qzzA-4uoeA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzf 1,3-BETA-GLUCANASE

(Mycobacterium
tuberculosis) 		PF00722
(Glyco_hydro_16) 		5 GLY A 275
GLY A 274
GLY A 179
PRO A 153
PHE A  90
 None
 1.17A 1qzzA-4wzfA:
undetectable		 1qzzA-4wzfA:
19.42
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.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 GLY A 305
GLY A 304
ASP A 310
PHE A 309
ASN A 286
 None
 0.91A 1qzzA-4y6oA:
4.3		 1qzzA-4y6oA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 TRP A 166
GLY A 211
GLY A 212
GLY A 213
LEU A 235
ASP A 254
TRP A 274
 SAH  A 401 ( 3.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
None
 0.79A 1qzzA-5cvvA:
25.0		 1qzzA-5cvvA:
25.00
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
ASP A 222
PHE A 223
 None
 0.82A 1qzzA-5dtrA:
11.8		 1qzzA-5dtrA:
24.46
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
PRO A 191
ASP A 222
 None
 0.68A 1qzzA-5dtrA:
11.8		 1qzzA-5dtrA:
24.46
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 GLY A 191
GLY A 190
PRO A 161
ASP A 153
ASN A 169
 None
 1.07A 1qzzA-5ebbA:
undetectable		 1qzzA-5ebbA:
20.64
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 GLY A 160
GLY A 159
GLY A 158
LEU A 206
ASN A 134
 None
 1.08A 1qzzA-5fifA:
undetectable		 1qzzA-5fifA:
25.69
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 232
GLY A 204
GLY A 205
LEU A 230
ASN A 237
 None
 0.94A 1qzzA-5fpnA:
2.0		 1qzzA-5fpnA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		8 GLY A 187
GLY A 188
GLY A 189
GLU A 210
ASP A 237
PHE A 238
ASN A 257
TRP A 258
 SAH  A 401 (-3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.2A)
None
 0.46A 1qzzA-5jr3A:
38.7		 1qzzA-5jr3A:
53.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		6 GLY A 188
GLU A 210
ASP A 237
PHE A 238
ASN A 257
TRP A 258
 SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.2A)
None
 1.00A 1qzzA-5jr3A:
38.7		 1qzzA-5jr3A:
53.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  10
GLY A  11
LEU A  34
ASP A  61
 None
 1.01A 1qzzA-5o3zA:
6.9		 1qzzA-5o3zA:
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 GLY A 208
GLY A 180
GLY A 181
LEU A 206
ASN A 213
 ANP  A 602 (-3.3A)
ANP  A 602 (-3.4A)
ANP  A 602 (-3.5A)
None
None
 0.83A 1qzzA-5obuA:
2.4		 1qzzA-5obuA:
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 GLY A 208
GLY A 180
GLY A 181
LEU A 206
ASN A 213
 ADP  A 402 (-3.3A)
ADP  A 402 (-3.5A)
None
None
None
 0.85A 1qzzA-5obwA:
undetectable		 1qzzA-5obwA:
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A 137
GLY A 136
GLY A 135
PRO A 118
ASP A 126
 None
 0.86A 1qzzA-5t57A:
6.0		 1qzzA-5t57A:
26.52
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLY B  17
GLY B  27
GLY B  26
PRO B 325
ASP B  12
 None
 1.06A 1qzzA-5tchB:
undetectable		 1qzzA-5tchB:
25.39
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A  17
GLY A  23
GLY A  26
GLY A  25
ASN A 314
 None
FAD  A 502 (-3.3A)
None
FAD  A 502 (-3.6A)
None
 1.19A 1qzzA-5vdnA:
2.0		 1qzzA-5vdnA:
21.06
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 505
GLY A 504
GLY A 503
LEU A 530
PHE A 539
 None
None
SAH  A 705 (-3.6A)
None
None
 1.04A 1qzzA-5wcjA:
12.8		 1qzzA-5wcjA:
21.88
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 6 GLY A 203
GLY A 204
GLY A 205
LEU A 227
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.42A 1qzzA-5xohA:
23.1		 1qzzA-5xohA:
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.
5yf0 -

(-) 		no annotation 5 TYR A 181
GLY A 208
GLY A 210
GLU A 229
ASP A 295
 None
SAM  A 505 (-3.3A)
SAM  A 505 ( 3.9A)
SAM  A 505 (-2.9A)
SAM  A 505 (-3.6A)
 0.99A 1qzzA-5yf0A:
14.7		 1qzzA-5yf0A:
21.93
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 5 GLY A 182
GLY A 184
ASP A 232
PHE A 233
TRP A 253
 SAH  A 501 (-4.0A)
SAH  A 501 (-3.3A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.5A)
None
 0.34A 1qzzA-6c5bA:
31.5		 1qzzA-6c5bA:
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 TRP A 254
TYR A 516
GLY A 281
GLY A 282
ASP A 273
 None
FAD  A 601 (-4.3A)
None
None
None
 1.14A 1qzzA-6f72A:
undetectable		 1qzzA-6f72A:
undetectable