SIMILAR PATTERNS OF AMINO ACIDS FOR 2QMZ_A_LDPA501

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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		4 GLU A 125
PHE A 291
ILE A 122
PHE A 290
 ZN  A 293 ( 2.5A)
None
None
None
 1.03A 2qmzA-1bf6A:
undetectable
2qmzB-1bf6A:
undetectable		 2qmzA-1bf6A:
18.92
2qmzB-1bf6A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 GLY A 177
GLN A 174
PHE A 144
ILE A 111
 None
 1.01A 2qmzA-1e6bA:
undetectable
2qmzB-1e6bA:
undetectable		 2qmzA-1e6bA:
22.05
2qmzB-1e6bA:
22.05
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.
1fj7 NUCLEOLIN RBD1

(Mesocricetus
auratus) 		PF00076
(RRM_1) 		4 GLY A  79
PHE A  42
ILE A  38
PHE A  65
 None
 0.97A 2qmzA-1fj7A:
undetectable
2qmzB-1fj7A:
undetectable		 2qmzA-1fj7A:
23.47
2qmzB-1fj7A:
23.47
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLU A 767
GLY A 760
GLN A 761
PHE A 712
 None
 1.02A 2qmzA-1jx2A:
undetectable
2qmzB-1jx2A:
3.8		 2qmzA-1jx2A:
12.94
2qmzB-1jx2A:
12.94
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 4 TRP A 153
GLY A  94
ILE A 222
PHE A 156
 None
URA  A1282 (-3.6A)
None
None
 1.04A 2qmzA-1oe5A:
undetectable
2qmzB-1oe5A:
undetectable		 2qmzA-1oe5A:
21.80
2qmzB-1oe5A:
21.80
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		4 GLY A 436
PHE A 443
ILE A 447
PHE A 432
 None
 0.95A 2qmzA-1q50A:
2.7
2qmzB-1q50A:
2.6		 2qmzA-1q50A:
18.67
2qmzB-1q50A:
18.67
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.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		4 GLY A2131
PHE A2165
ILE A2155
PHE A2167
 None
 1.03A 2qmzA-1t77A:
undetectable
2qmzB-1t77A:
undetectable		 2qmzA-1t77A:
20.10
2qmzB-1t77A:
20.10
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.
1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF14519
(Macro_2) 		4 GLY A  79
PHE A 106
ILE A 143
PHE A 102
 APR  A 285 (-3.6A)
None
None
None
 0.94A 2qmzA-1txzA:
undetectable
2qmzB-1txzA:
undetectable		 2qmzA-1txzA:
21.00
2qmzB-1txzA:
21.00
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 0.87A 2qmzA-1uuoA:
undetectable
2qmzB-1uuoA:
undetectable		 2qmzA-1uuoA:
22.16
2qmzB-1uuoA:
22.16
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.
1vmo VITELLINE MEMBRANE
OUTER LAYER PROTEIN
I

(Gallus gallus) 		PF03762
(VOMI) 		4 GLY A  14
PHE A  87
ILE A 106
PHE A 159
 None
 0.90A 2qmzA-1vmoA:
undetectable
2qmzB-1vmoA:
undetectable		 2qmzA-1vmoA:
18.22
2qmzB-1vmoA:
18.22
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.
1vmo VITELLINE MEMBRANE
OUTER LAYER PROTEIN
I

(Gallus gallus) 		PF03762
(VOMI) 		4 GLY A 120
PHE A  34
ILE A  53
PHE A 108
 None
 0.92A 2qmzA-1vmoA:
undetectable
2qmzB-1vmoA:
undetectable		 2qmzA-1vmoA:
18.22
2qmzB-1vmoA:
18.22
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 GLY A  57
PHE A  74
ILE A  47
PHE A  65
 None
 1.01A 2qmzA-1x1oA:
undetectable
2qmzB-1x1oA:
undetectable		 2qmzA-1x1oA:
21.03
2qmzB-1x1oA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv9 ORPHAN NUCLEAR
RECEPTOR NR1I3

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 GLY B 126
GLN B 171
PHE B 167
PHE B 135
 None
 0.98A 2qmzA-1xv9B:
undetectable
2qmzB-1xv9B:
undetectable		 2qmzA-1xv9B:
20.08
2qmzB-1xv9B:
20.08
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.
1z4a FERRITIN

(Thermotoga
maritima) 		PF00210
(Ferritin) 		5 GLU A 132
GLN A  15
PHE A  59
ILE A 103
PHE A 121
 None
 1.45A 2qmzA-1z4aA:
undetectable
2qmzB-1z4aA:
undetectable		 2qmzA-1z4aA:
20.85
2qmzB-1z4aA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z82 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 GLU A 112
GLY A 107
PHE A 213
ILE A 174
 None
 0.81A 2qmzA-1z82A:
5.1
2qmzB-1z82A:
5.1		 2qmzA-1z82A:
21.41
2qmzB-1z82A:
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 4 GLY A 134
PHE A 326
ILE A 433
PHE A 308
 None
 0.78A 2qmzA-2d4yA:
undetectable
2qmzB-2d4yA:
undetectable		 2qmzA-2d4yA:
17.83
2qmzB-2d4yA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6s CELL FILAMENTATION
PROTEIN, PUTATIVE

(Helicobacter
pylori) 		PF02661
(Fic) 		5 GLU A  75
GLY A  30
GLN A  32
PHE A  98
ILE A  49
 None
 1.18A 2qmzA-2f6sA:
undetectable
2qmzB-2f6sA:
undetectable		 2qmzA-2f6sA:
19.18
2qmzB-2f6sA:
19.18
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.
2hal HEPATITIS A PROTEASE
3C

(Hepatovirus A) 		PF00548
(Peptidase_C3) 		4 GLY A 174
PHE A 103
ILE A  99
PHE A 209
 None
 1.01A 2qmzA-2halA:
undetectable
2qmzB-2halA:
undetectable		 2qmzA-2halA:
25.51
2qmzB-2halA:
25.51
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.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		4 GLY A 233
PHE A 199
ILE A 209
PHE A 195
 None
 0.97A 2qmzA-2hcbA:
undetectable
2qmzB-2hcbA:
undetectable		 2qmzA-2hcbA:
22.75
2qmzB-2hcbA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		4 GLY A 234
PHE A 199
ILE A 209
PHE A 195
 None
 1.04A 2qmzA-2hcbA:
undetectable
2qmzB-2hcbA:
undetectable		 2qmzA-2hcbA:
22.75
2qmzB-2hcbA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kdy FACTOR H BINDING
PROTEIN VARIANT
B01_001

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		4 GLU A 208
PHE A 135
ILE A 137
PHE A 163
 None
 0.99A 2qmzA-2kdyA:
undetectable
2qmzB-2kdyA:
undetectable		 2qmzA-2kdyA:
22.74
2qmzB-2kdyA:
22.74
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.
2m1w TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 2

(Homo sapiens) 		PF13676
(TIR_2) 		4 GLU A  92
PHE A  81
ILE A 136
PHE A 210
 None
 0.92A 2qmzA-2m1wA:
3.6
2qmzB-2m1wA:
4.1		 2qmzA-2m1wA:
25.91
2qmzB-2m1wA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		4 GLY A 437
PHE A 444
ILE A 448
PHE A 433
 None
 1.02A 2qmzA-2o2cA:
3.5
2qmzB-2o2cA:
3.5		 2qmzA-2o2cA:
17.76
2qmzB-2o2cA:
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.
2odr PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanococcus
maripaludis) 		PF01409
(tRNA-synt_2d) 		4 GLY B 190
GLN B  81
PHE B  82
ILE B  78
 None
 0.96A 2qmzA-2odrB:
undetectable
2qmzB-2odrB:
undetectable		 2qmzA-2odrB:
15.25
2qmzB-2odrB:
15.25
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		4 GLU A 155
GLY A 260
PHE A 254
ILE A 266
 None
 1.04A 2qmzA-2psfA:
3.1
2qmzB-2psfA:
2.8		 2qmzA-2psfA:
21.59
2qmzB-2psfA:
21.59
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.
2vro ALDEHYDE
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00171
(Aldedh) 		4 GLU A 400
GLY A 403
GLN A 343
PHE A 158
 None
None
NDP  A1523 ( 4.6A)
NDP  A1523 ( 4.6A)
 0.93A 2qmzA-2vroA:
3.0
2qmzB-2vroA:
undetectable		 2qmzA-2vroA:
17.75
2qmzB-2vroA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 474
GLY A 635
PHE A 601
PHE A 476
 None
 0.95A 2qmzA-2vycA:
6.9
2qmzB-2vycA:
6.8		 2qmzA-2vycA:
15.99
2qmzB-2vycA:
15.99
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 GLU A 263
GLY A 256
PHE A 273
ILE A 241
 None
 1.00A 2qmzA-2w61A:
undetectable
2qmzB-2w61A:
undetectable		 2qmzA-2w61A:
18.57
2qmzB-2w61A:
18.57
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.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		4 GLY A  14
PHE A  55
ILE A 358
PHE A  56
 None
 0.99A 2qmzA-2weuA:
2.3
2qmzB-2weuA:
2.3		 2qmzA-2weuA:
18.59
2qmzB-2weuA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 GLY A 451
PHE A  15
ILE A  10
PHE A  16
 None
 0.95A 2qmzA-2wsxA:
undetectable
2qmzB-2wsxA:
undetectable		 2qmzA-2wsxA:
18.48
2qmzB-2wsxA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 4 GLU A 124
GLN A 249
PHE A 238
ILE A 247
 CU  A1298 (-2.6A)
None
URE  A1299 (-4.7A)
None
 1.03A 2qmzA-2xlaA:
undetectable
2qmzB-2xlaA:
undetectable		 2qmzA-2xlaA:
21.21
2qmzB-2xlaA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		4 GLY X 298
PHE X 265
ILE X 102
PHE X 272
 None
 1.01A 2qmzA-3a8uX:
undetectable
2qmzB-3a8uX:
undetectable		 2qmzA-3a8uX:
19.41
2qmzB-3a8uX:
19.41
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLY A  16
GLN A 243
ILE A 188
PHE A  41
 None
 1.02A 2qmzA-3bn1A:
undetectable
2qmzB-3bn1A:
undetectable		 2qmzA-3bn1A:
20.63
2qmzB-3bn1A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 GLU A 379
GLY A  55
PHE A 227
ILE A  51
 None
 1.03A 2qmzA-3cp2A:
2.3
2qmzB-3cp2A:
2.3		 2qmzA-3cp2A:
17.60
2qmzB-3cp2A:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epu STM2138 VIRULENCE
CHAPERONE

(Salmonella
enterica) 		PF05932
(CesT) 		4 GLY A  53
PHE A  31
ILE A  33
PHE A  12
 None
 0.95A 2qmzA-3epuA:
undetectable
2qmzB-3epuA:
undetectable		 2qmzA-3epuA:
18.22
2qmzB-3epuA:
18.22
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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 127
GLN A 194
PHE A  78
PHE A  74
 None
 1.04A 2qmzA-3esfA:
undetectable
2qmzB-3esfA:
undetectable		 2qmzA-3esfA:
20.50
2qmzB-3esfA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 GLY A2002
PHE A1724
ILE A1825
PHE A1777
 None
 0.94A 2qmzA-3ff6A:
undetectable
2qmzB-3ff6A:
2.5		 2qmzA-3ff6A:
15.27
2qmzB-3ff6A:
15.27
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.
3fk3 PROTEIN AF-9 HOMOLOG

(Saccharomyces
cerevisiae) 		PF03366
(YEATS) 		4 GLY A  49
PHE A  58
ILE A  59
PHE A 155
 None
 0.87A 2qmzA-3fk3A:
undetectable
2qmzB-3fk3A:
undetectable		 2qmzA-3fk3A:
19.49
2qmzB-3fk3A:
19.49
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 GLU A 379
GLY A  55
PHE A 227
ILE A  51
 None
 1.00A 2qmzA-3g05A:
undetectable
2qmzB-3g05A:
undetectable		 2qmzA-3g05A:
17.34
2qmzB-3g05A:
17.34
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.
3h1w MANNOSE-6-PHOSPHATE
ISOMERASE

(Salmonella
enterica) 		PF01238
(PMI_typeI) 		4 GLU A 347
GLY A 244
PHE A 323
PHE A  85
 None
 1.03A 2qmzA-3h1wA:
undetectable
2qmzB-3h1wA:
undetectable		 2qmzA-3h1wA:
22.36
2qmzB-3h1wA:
22.36
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.
3i0w 8-OXOGUANINE-DNA-GLY
COSYLASE

(Clostridium
acetobutylicum) 		PF00730
(HhH-GPD)
PF07934
(OGG_N) 		4 GLY A  45
PHE A  79
ILE A  63
PHE A  21
 None
 0.86A 2qmzA-3i0wA:
undetectable
2qmzB-3i0wA:
undetectable		 2qmzA-3i0wA:
21.48
2qmzB-3i0wA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtx AMINOTRANSFERASE

(Neisseria
meningitidis) 		PF00155
(Aminotran_1_2) 		4 TRP A 165
GLN A 196
PHE A 201
ILE A 203
 None
 1.00A 2qmzA-3jtxA:
2.3
2qmzB-3jtxA:
2.4		 2qmzA-3jtxA:
20.60
2qmzB-3jtxA:
20.60
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.
3l8e D,D-HEPTOSE
1,7-BISPHOSPHATE
PHOSPHATASE

(Escherichia
coli) 		PF13242
(Hydrolase_like) 		4 TRP A  74
PHE A  31
ILE A  16
PHE A  29
 None
 0.89A 2qmzA-3l8eA:
3.0
2qmzB-3l8eA:
2.9		 2qmzA-3l8eA:
22.49
2qmzB-3l8eA:
22.49
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.
3nn2 CHLORITE DISMUTASE

(Nitrospira
defluvii) 		PF06778
(Chlor_dismutase) 		4 GLU A 210
PHE A 190
ILE A 137
PHE A 198
 HEM  A 239 ( 4.8A)
HEM  A 239 (-4.0A)
HEM  A 239 ( 3.8A)
None
 1.01A 2qmzA-3nn2A:
undetectable
2qmzB-3nn2A:
undetectable		 2qmzA-3nn2A:
22.61
2qmzB-3nn2A:
22.61
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.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		4 GLY A 328
GLN A 327
PHE A 492
PHE A 347
 TRS  A 612 (-4.6A)
None
None
GOL  A 614 (-4.7A)
 0.91A 2qmzA-3o0yA:
undetectable
2qmzB-3o0yA:
undetectable		 2qmzA-3o0yA:
17.08
2qmzB-3o0yA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o7o ENDOGLUCANASE

(Thermotoga
maritima) 		PF01670
(Glyco_hydro_12) 		4 GLY A 234
PHE A 243
ILE A  51
PHE A  47
 None
 0.99A 2qmzA-3o7oA:
undetectable
2qmzB-3o7oA:
undetectable		 2qmzA-3o7oA:
23.49
2qmzB-3o7oA:
23.49
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		4 GLY A 406
PHE A 413
ILE A 417
PHE A 402
 None
 0.92A 2qmzA-3qkiA:
2.2
2qmzB-3qkiA:
2.4		 2qmzA-3qkiA:
17.06
2qmzB-3qkiA:
17.06
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.
3se5 CELL FILAMENTATION
PROTEIN FIC-RELATED
PROTEIN

(Neisseria
meningitidis) 		PF02661
(Fic) 		4 GLU A  86
GLY A  41
PHE A 109
ILE A  60
 None
 0.91A 2qmzA-3se5A:
undetectable
2qmzB-3se5A:
undetectable		 2qmzA-3se5A:
18.61
2qmzB-3se5A:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 GLY A  68
GLN A 122
PHE A 126
ILE A 128
PHE A 178
 TE7  A   1 ( 4.1A)
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
 0.19A 2qmzA-3te7A:
38.9
2qmzB-3te7A:
39.5		 2qmzA-3te7A:
100.00
2qmzB-3te7A:
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.
3tl1 POLYKETIDE CYCLASE

(Streptomyces
coelicolor) 		PF03364
(Polyketide_cyc) 		4 GLU A  34
GLN A 110
ILE A 129
PHE A  88
 GOL  A 161 (-2.3A)
JRO  A 160 ( 3.0A)
JRO  A 160 (-4.5A)
JRO  A 160 (-4.4A)
 1.03A 2qmzA-3tl1A:
undetectable
2qmzB-3tl1A:
undetectable		 2qmzA-3tl1A:
21.50
2qmzB-3tl1A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		4 GLY A 389
PHE A 396
ILE A 400
PHE A 385
 None
 0.93A 2qmzA-3ujhA:
2.6
2qmzB-3ujhA:
2.6		 2qmzA-3ujhA:
19.01
2qmzB-3ujhA:
19.01
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A1263
GLN A1352
PHE A1280
ILE A1276
 None
 0.84A 2qmzA-3va7A:
3.3
2qmzB-3va7A:
undetectable		 2qmzA-3va7A:
11.06
2qmzB-3va7A:
11.06
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.
3wq8 BETA-GLUCOSIDASE

(Pyrococcus
furiosus) 		PF00232
(Glyco_hydro_1) 		4 GLU A  19
GLY A  79
PHE A 187
ILE A  85
 None
 0.93A 2qmzA-3wq8A:
undetectable
2qmzB-3wq8A:
undetectable		 2qmzA-3wq8A:
21.25
2qmzB-3wq8A:
21.25
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.
4bmb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 GLY A  21
PHE A 151
ILE A  11
PHE A 153
 None
 1.03A 2qmzA-4bmbA:
undetectable
2qmzB-4bmbA:
undetectable		 2qmzA-4bmbA:
18.47
2qmzB-4bmbA:
18.47
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLU A 208
GLY A 284
PHE A 180
ILE A 205
 None
 0.98A 2qmzA-4c23A:
undetectable
2qmzB-4c23A:
undetectable		 2qmzA-4c23A:
20.82
2qmzB-4c23A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckg ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		4 GLU A  27
GLY A  -1
PHE A   7
ILE A 177
 None
 1.03A 2qmzA-4ckgA:
undetectable
2qmzB-4ckgA:
undetectable		 2qmzA-4ckgA:
21.28
2qmzB-4ckgA:
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 GLY A 135
PHE A 221
ILE A 141
PHE A 247
 None
 1.02A 2qmzA-4efcA:
undetectable
2qmzB-4efcA:
undetectable		 2qmzA-4efcA:
17.72
2qmzB-4efcA:
17.72
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 TRP A  42
GLU A 169
PHE A 215
PHE A 210
 None
 0.78A 2qmzA-4guzA:
undetectable
2qmzB-4guzA:
undetectable		 2qmzA-4guzA:
21.74
2qmzB-4guzA:
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 GLU A  21
GLY A  82
PHE A 188
ILE A  88
 None
 0.96A 2qmzA-4ha4A:
undetectable
2qmzB-4ha4A:
undetectable		 2qmzA-4ha4A:
16.93
2qmzB-4ha4A:
16.93
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 GLY A 245
PHE A 288
ILE A 283
PHE A 290
 None
 0.95A 2qmzA-4jhzA:
undetectable
2qmzB-4jhzA:
undetectable		 2qmzA-4jhzA:
18.67
2qmzB-4jhzA:
18.67
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.
4jo8 M157

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		4 GLY A 170
GLN A 102
PHE A  98
ILE A 101
 None
 0.79A 2qmzA-4jo8A:
undetectable
2qmzB-4jo8A:
undetectable		 2qmzA-4jo8A:
24.11
2qmzB-4jo8A:
24.11
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		4 GLY A  17
PHE A  59
ILE A 361
PHE A  60
 None
 0.97A 2qmzA-4lu6A:
undetectable
2qmzB-4lu6A:
2.1		 2qmzA-4lu6A:
17.72
2qmzB-4lu6A:
17.72
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.
4mx2 ADENYLOSUCCINATE
LYASE

(Leishmania
donovani) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 GLY A 146
PHE A 232
ILE A 152
PHE A 258
 None
 0.99A 2qmzA-4mx2A:
undetectable
2qmzB-4mx2A:
undetectable		 2qmzA-4mx2A:
19.70
2qmzB-4mx2A:
19.70
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.
4n7c BLA G 4 ALLERGEN
VARIANT 1

(Blattella
germanica) 		PF03973
(Triabin) 		4 GLY A 111
PHE A  81
ILE A  83
PHE A  49
 None
 1.01A 2qmzA-4n7cA:
undetectable
2qmzB-4n7cA:
undetectable		 2qmzA-4n7cA:
24.03
2qmzB-4n7cA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		4 GLY A 136
PHE A 104
ILE A  88
PHE A 129
 None
 0.94A 2qmzA-4oetA:
undetectable
2qmzB-4oetA:
undetectable		 2qmzA-4oetA:
17.94
2qmzB-4oetA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 TRP A 149
GLY A 263
PHE A 332
PHE A 141
 None
 0.97A 2qmzA-4rslA:
2.7
2qmzB-4rslA:
2.7		 2qmzA-4rslA:
20.86
2qmzB-4rslA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 TRP A 257
GLY A  96
GLN A  97
ILE A 374
 None
 0.90A 2qmzA-4ubtA:
undetectable
2qmzB-4ubtA:
undetectable		 2qmzA-4ubtA:
20.96
2qmzB-4ubtA:
20.96
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.
4um8 INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 GLY B 224
PHE B 251
ILE B 229
PHE B 311
 None
 0.92A 2qmzA-4um8B:
3.2
2qmzB-4um8B:
3.9		 2qmzA-4um8B:
14.87
2qmzB-4um8B:
14.87
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.
4wk0 INTEGRIN BETA-1

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 GLY B 230
PHE B 256
ILE B 235
PHE B 315
 None
 1.04A 2qmzA-4wk0B:
2.6
2qmzB-4wk0B:
2.4		 2qmzA-4wk0B:
19.37
2qmzB-4wk0B:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		4 GLY A 143
GLN A 277
PHE A  46
PHE A  47
 None
UNL  A 401 ( 3.2A)
UNL  A 401 ( 3.7A)
None
 0.91A 2qmzA-4yleA:
4.2
2qmzB-4yleA:
4.0		 2qmzA-4yleA:
22.52
2qmzB-4yleA:
22.52
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.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		4 TRP A 423
GLU A  47
GLY A 142
PHE A 174
 None
 0.95A 2qmzA-4ze8A:
undetectable
2qmzB-4ze8A:
2.1		 2qmzA-4ze8A:
19.87
2qmzB-4ze8A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a12 CHLORITE DISMUTASE

(Magnetospirillum
sp.) 		PF06778
(Chlor_dismutase) 		4 GLU A 220
PHE A 200
ILE A 147
PHE A 208
 None
HEM  A 250 (-3.8A)
HEM  A 250 (-4.0A)
None
 0.88A 2qmzA-5a12A:
undetectable
2qmzB-5a12A:
undetectable		 2qmzA-5a12A:
21.32
2qmzB-5a12A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2g CARBOXYLIC ESTER
HYDROLASE

(Hungatella
hathewayi) 		PF00135
(COesterase) 		4 GLU A 123
GLY A 114
GLN A 199
ILE A 420
 None
 1.02A 2qmzA-5a2gA:
3.2
2qmzB-5a2gA:
3.2		 2qmzA-5a2gA:
18.71
2qmzB-5a2gA:
18.71
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.
5a9g MANGANESE SUPEROXIDE
DISMUTASE

(Sphingobacterium
spiritivorum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 125
GLY A 117
ILE A 184
PHE A  79
 None
 1.01A 2qmzA-5a9gA:
undetectable
2qmzB-5a9gA:
undetectable		 2qmzA-5a9gA:
20.87
2qmzB-5a9gA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5af7 ACYL-COA
DEHYDROGENASE

(Advenella
mimigardefordensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A  92
PHE A 167
ILE A 123
PHE A 236
 None
None
FAD  A 410 (-3.6A)
None
 0.97A 2qmzA-5af7A:
undetectable
2qmzB-5af7A:
undetectable		 2qmzA-5af7A:
21.77
2qmzB-5af7A:
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 TRP A 392
PHE A 585
ILE A 514
PHE A 538
 None
 1.00A 2qmzA-5aw4A:
2.1
2qmzB-5aw4A:
undetectable		 2qmzA-5aw4A:
12.95
2qmzB-5aw4A:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		4 GLU A 135
GLY A 181
PHE A  49
PHE A  24
 None
 0.98A 2qmzA-5c5xA:
undetectable
2qmzB-5c5xA:
undetectable		 2qmzA-5c5xA:
23.57
2qmzB-5c5xA:
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.
5c91 E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00632
(HECT) 		4 GLY A 643
PHE A 752
ILE A 638
PHE A 660
 None
 1.00A 2qmzA-5c91A:
undetectable
2qmzB-5c91A:
undetectable		 2qmzA-5c91A:
19.28
2qmzB-5c91A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cgl ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE NMFIC

(Neisseria
meningitidis) 		PF02661
(Fic) 		5 GLU A  86
GLY A  41
GLN A  43
PHE A 109
ILE A  60
 None
 1.14A 2qmzA-5cglA:
undetectable
2qmzB-5cglA:
undetectable		 2qmzA-5cglA:
17.30
2qmzB-5cglA:
17.30
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.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLU A 336
GLY A 495
PHE A 351
PHE A 349
 None
 1.03A 2qmzA-5ck0A:
undetectable
2qmzB-5ck0A:
undetectable		 2qmzA-5ck0A:
15.13
2qmzB-5ck0A:
15.13
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.
5ev7 CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		5 TRP A 294
GLY A 298
PHE A 350
ILE A 304
PHE A 388
 None
 1.41A 2qmzA-5ev7A:
undetectable
2qmzB-5ev7A:
undetectable		 2qmzA-5ev7A:
16.13
2qmzB-5ev7A:
16.13
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		4 GLY A 308
PHE A 275
ILE A 101
PHE A 282
 None
 0.96A 2qmzA-5g0aA:
undetectable
2qmzB-5g0aA:
undetectable		 2qmzA-5g0aA:
19.34
2qmzB-5g0aA:
19.34
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		4 GLY A 698
PHE A 807
ILE A 693
PHE A 715
 None
 1.03A 2qmzA-5hpkA:
undetectable
2qmzB-5hpkA:
undetectable		 2qmzA-5hpkA:
19.53
2qmzB-5hpkA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 133
GLN A 271
PHE A  46
PHE A  47
 None
 0.92A 2qmzA-5hsgA:
4.4
2qmzB-5hsgA:
4.3		 2qmzA-5hsgA:
21.50
2qmzB-5hsgA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 GLY A  18
PHE A  59
ILE A 367
PHE A  60
 None
None
FAD  A 601 (-3.5A)
None
 1.01A 2qmzA-5hy5A:
3.0
2qmzB-5hy5A:
3.0		 2qmzA-5hy5A:
17.46
2qmzB-5hy5A:
17.46
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A1263
GLN A1352
PHE A1280
ILE A1276
 None
 0.84A 2qmzA-5i8iA:
undetectable
2qmzB-5i8iA:
undetectable		 2qmzA-5i8iA:
11.80
2qmzB-5i8iA:
11.80
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.
5k34 ANKYRIN-REPEAT
PROTEIN B

(Legionella
pneumophila) 		no annotation 4 GLY A 104
GLN A 138
PHE A 144
ILE A 152
 None
 1.00A 2qmzA-5k34A:
undetectable
2qmzB-5k34A:
undetectable		 2qmzA-5k34A:
19.05
2qmzB-5k34A:
19.05
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL

(Homo sapiens) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 0.90A 2qmzA-5mvdA:
undetectable
2qmzB-5mvdA:
undetectable		 2qmzA-5mvdA:
20.81
2qmzB-5mvdA:
20.81
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 GLY A 761
PHE A 741
ILE A 728
PHE A 753
 None
 1.03A 2qmzA-5ng6A:
undetectable
2qmzB-5ng6A:
undetectable		 2qmzA-5ng6A:
10.54
2qmzB-5ng6A:
10.54
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.
5tev TRYPTOPHAN--TRNA
LIGASE

(Neisseria
gonorrhoeae) 		PF00579
(tRNA-synt_1b) 		4 GLY A 331
PHE A 174
ILE A  96
PHE A 182
 None
 1.03A 2qmzA-5tevA:
undetectable
2qmzB-5tevA:
undetectable		 2qmzA-5tevA:
20.98
2qmzB-5tevA:
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		4 GLY A 300
PHE A 267
ILE A 105
PHE A 274
 None
 0.95A 2qmzA-5ti8A:
undetectable
2qmzB-5ti8A:
undetectable		 2qmzA-5ti8A:
18.99
2qmzB-5ti8A:
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.
5ubd RCTB REPLICATION
INITIATOR PROTEIN

(Vibrio cholerae) 		no annotation 4 GLY A  55
PHE A 114
ILE A  31
PHE A  94
 None
 1.02A 2qmzA-5ubdA:
undetectable
2qmzB-5ubdA:
undetectable		 2qmzA-5ubdA:
19.66
2qmzB-5ubdA:
19.66
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 GLY B  80
PHE B 414
ILE B 158
PHE B 410
 None
 1.04A 2qmzA-5xogB:
undetectable
2qmzB-5xogB:
undetectable		 2qmzA-5xogB:
10.57
2qmzB-5xogB:
10.57
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.
5y7f UGGT

(Thermomyces
dupontii) 		PF01501
(Glyco_transf_8) 		4 GLY A1273
PHE A1195
ILE A1227
PHE A1283
 None
 1.04A 2qmzA-5y7fA:
undetectable
2qmzB-5y7fA:
undetectable		 2qmzA-5y7fA:
19.86
2qmzB-5y7fA:
19.86
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.
5zai -

(-) 		no annotation 4 GLU A 113
GLY A  64
PHE A  70
ILE A 138
 None
COA  A 301 ( 4.3A)
COA  A 301 (-4.8A)
None
 1.02A 2qmzA-5zaiA:
undetectable
2qmzB-5zaiA:
undetectable		 2qmzA-5zaiA:
undetectable
2qmzB-5zaiA:
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.
6acd -

(-) 		no annotation 4 GLU A 184
GLY A 212
PHE A  62
PHE A 262
 None
 1.01A 2qmzA-6acdA:
undetectable
2qmzB-6acdA:
undetectable		 2qmzA-6acdA:
undetectable
2qmzB-6acdA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 4 GLN F 131
PHE F 127
ILE F 130
PHE F 287
 None
 1.00A 2qmzA-6btmF:
undetectable
2qmzB-6btmF:
undetectable		 2qmzA-6btmF:
16.16
2qmzB-6btmF:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cuf -

(-) 		no annotation 4 GLY 7  30
GLN 7  90
PHE 7  91
ILE 7   2
 None
 0.98A 2qmzA-6cuf7:
undetectable
2qmzB-6cuf7:
undetectable		 2qmzA-6cuf7:
undetectable
2qmzB-6cuf7:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 4 GLU B 371
GLY B 352
ILE B 368
PHE B 381
 None
 1.02A 2qmzA-6evjB:
undetectable
2qmzB-6evjB:
undetectable		 2qmzA-6evjB:
16.23
2qmzB-6evjB:
16.23
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 GLU A2559
GLY A2548
ILE A1814
PHE A2126
 None
 0.98A 2qmzA-6fb3A:
undetectable
2qmzB-6fb3A:
undetectable		 2qmzA-6fb3A:
19.56
2qmzB-6fb3A:
19.56