SIMILAR PATTERNS OF AMINO ACIDS FOR 4BQT_C_C5EC301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 TRP A 441
CYH A 247
TYR A 307
ILE A 443
 None
 1.03A 4bqtC-1b25A:
0.0
4bqtD-1b25A:
undetectable		 4bqtC-1b25A:
14.64
4bqtD-1b25A:
14.64
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.
1gvf TAGATOSE-BISPHOSPHAT
E ALDOLASE AGAY

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 VAL A  45
TYR A  18
CYH A 278
ILE A 275
 EDO  A1290 (-4.5A)
None
None
None
 1.10A 4bqtC-1gvfA:
undetectable
4bqtD-1gvfA:
0.0		 4bqtC-1gvfA:
23.93
4bqtD-1gvfA:
23.93
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR A 270
VAL A 397
CYH A 404
ILE A 414
 None
 1.24A 4bqtC-1ig8A:
0.0
4bqtD-1ig8A:
0.0		 4bqtC-1ig8A:
21.68
4bqtD-1ig8A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR A 270
VAL A 397
CYH A 404
ILE A 414
 None
 1.29A 4bqtC-1ig8A:
0.0
4bqtD-1ig8A:
0.0		 4bqtC-1ig8A:
21.68
4bqtD-1ig8A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jyo SICP

(Salmonella
enterica) 		PF05932
(CesT) 		4 TYR A  84
TRP A  64
VAL A  58
ILE A  63
 None
 1.24A 4bqtC-1jyoA:
undetectable
4bqtD-1jyoA:
undetectable		 4bqtC-1jyoA:
20.47
4bqtD-1jyoA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mp3 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Salmonella
enterica) 		PF00483
(NTP_transferase) 		4 VAL A 108
TYR A 179
CYH A 105
ILE A   7
 None
 1.30A 4bqtC-1mp3A:
undetectable
4bqtD-1mp3A:
0.0		 4bqtC-1mp3A:
22.26
4bqtD-1mp3A:
22.26
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 VAL A1411
CYH A1401
CYH A1402
ILE A1394
 None
 1.20A 4bqtC-1ofeA:
undetectable
4bqtD-1ofeA:
undetectable		 4bqtC-1ofeA:
9.55
4bqtD-1ofeA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 TYR A 194
VAL A 170
TYR A 188
ILE A 106
 None
 1.23A 4bqtC-1pvgA:
0.7
4bqtD-1pvgA:
undetectable		 4bqtC-1pvgA:
20.81
4bqtD-1pvgA:
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 TYR A 388
TRP A 253
VAL A 252
ILE A 248
 None
 1.22A 4bqtC-1rzvA:
undetectable
4bqtD-1rzvA:
0.0		 4bqtC-1rzvA:
17.90
4bqtD-1rzvA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vio RIBOSOMAL SMALL
SUBUNIT
PSEUDOURIDINE
SYNTHASE A

(Haemophilus
influenzae) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		4 TRP A 117
VAL A 231
CYH A 128
ILE A 121
 None
 1.29A 4bqtC-1vioA:
undetectable
4bqtD-1vioA:
undetectable		 4bqtC-1vioA:
19.68
4bqtD-1vioA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wf1 RNA-BINDING PROTEIN
RALY

(Homo sapiens) 		PF00076
(RRM_1) 		4 TYR A  69
VAL A  79
TYR A  52
ILE A  32
 None
 1.08A 4bqtC-1wf1A:
undetectable
4bqtD-1wf1A:
undetectable		 4bqtC-1wf1A:
16.44
4bqtD-1wf1A:
16.44
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.
2aeg HYPOTHETICAL PROTEIN
AGR_PAT_140

(Agrobacterium
fabrum) 		PF02586
(SRAP) 		4 VAL A 160
TYR A 179
CYH A 118
ILE A 158
 None
 1.24A 4bqtC-2aegA:
undetectable
4bqtD-2aegA:
undetectable		 4bqtC-2aegA:
21.69
4bqtD-2aegA:
21.69
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TYR A  65
VAL A  62
CYH A  96
ILE A  72
 None
 1.13A 4bqtC-2b24A:
undetectable
4bqtD-2b24A:
undetectable		 4bqtC-2b24A:
17.88
4bqtD-2b24A:
17.88
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 VAL A 257
TYR A  61
TYR A 260
ILE A  69
 None
 1.27A 4bqtC-2b4mA:
undetectable
4bqtD-2b4mA:
undetectable		 4bqtC-2b4mA:
20.00
4bqtD-2b4mA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.34A 4bqtC-2bj0A:
24.5
4bqtD-2bj0A:
24.4		 4bqtC-2bj0A:
31.30
4bqtD-2bj0A:
31.30
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		4 TYR A 140
TYR A  50
TYR A  54
ILE A 133
 None
 1.30A 4bqtC-2bqxA:
undetectable
4bqtD-2bqxA:
undetectable		 4bqtC-2bqxA:
23.77
4bqtD-2bqxA:
23.77
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 721
VAL A 534
TYR A  50
ILE A 539
 None
 0.91A 4bqtC-2d5lA:
undetectable
4bqtD-2d5lA:
undetectable		 4bqtC-2d5lA:
14.80
4bqtD-2d5lA:
14.80
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.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		4 VAL A 100
TYR A  88
CYH A  92
ILE A  56
 None
 1.12A 4bqtC-2dyuA:
undetectable
4bqtD-2dyuA:
undetectable		 4bqtC-2dyuA:
18.99
4bqtD-2dyuA:
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.
2erc RRNA METHYL
TRANSFERASE

(Bacillus
subtilis) 		PF00398
(RrnaAD) 		4 TYR A 203
TRP A 198
VAL A 199
ILE A 227
 None
 1.23A 4bqtC-2ercA:
undetectable
4bqtD-2ercA:
undetectable		 4bqtC-2ercA:
21.48
4bqtD-2ercA:
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.
2gxf HYPOTHETICAL PROTEIN
YYBH

(Bacillus
subtilis) 		PF13474
(SnoaL_3) 		4 VAL A  35
TYR A 104
CYH A 116
ILE A 118
 None
MES  A 201 (-3.3A)
MES  A 201 ( 4.0A)
None
 1.22A 4bqtC-2gxfA:
undetectable
4bqtD-2gxfA:
undetectable		 4bqtC-2gxfA:
19.91
4bqtD-2gxfA:
19.91
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 TYR A 148
VAL A 172
CYH A 181
ILE A 228
 None
 1.32A 4bqtC-2j3hA:
undetectable
4bqtD-2j3hA:
undetectable		 4bqtC-2j3hA:
21.11
4bqtD-2j3hA:
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		4 TRP A 213
VAL A 217
TYR A 246
ILE A 241
 None
 1.33A 4bqtC-2phkA:
undetectable
4bqtD-2phkA:
undetectable		 4bqtC-2phkA:
23.34
4bqtD-2phkA:
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.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		4 TYR A 139
TYR A  51
TYR A  55
ILE A 132
 SO4  A 175 (-4.3A)
None
None
None
 1.31A 4bqtC-2prdA:
undetectable
4bqtD-2prdA:
undetectable		 4bqtC-2prdA:
25.91
4bqtD-2prdA:
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 631
VAL A 626
TYR A 628
TYR A 987
 None
 1.26A 4bqtC-2qf7A:
undetectable
4bqtD-2qf7A:
undetectable		 4bqtC-2qf7A:
10.24
4bqtD-2qf7A:
10.24
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.
2qzj TWO-COMPONENT
RESPONSE REGULATOR

(Clostridioides
difficile) 		PF00072
(Response_reg) 		4 VAL A  79
CYH A  67
TYR A  80
ILE A  52
 None
 1.19A 4bqtC-2qzjA:
undetectable
4bqtD-2qzjA:
undetectable		 4bqtC-2qzjA:
19.72
4bqtD-2qzjA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		4 TYR A 124
TRP A  78
VAL A 167
TYR A 179
 None
 1.28A 4bqtC-2uz0A:
undetectable
4bqtD-2uz0A:
undetectable		 4bqtC-2uz0A:
22.10
4bqtD-2uz0A:
22.10
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 1.08A 4bqtC-2vdcG:
undetectable
4bqtD-2vdcG:
undetectable		 4bqtC-2vdcG:
18.74
4bqtD-2vdcG:
18.74
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.
2vfk AKAP18 DELTA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		4 TYR A 280
CYH A 268
CYH A 282
TYR A 279
 None
 1.17A 4bqtC-2vfkA:
undetectable
4bqtD-2vfkA:
undetectable		 4bqtC-2vfkA:
17.83
4bqtD-2vfkA:
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		4 VAL A3927
TYR A3942
CYH A3913
ILE A3856
 None
 1.33A 4bqtC-2w5zA:
undetectable
4bqtD-2w5zA:
undetectable		 4bqtC-2w5zA:
20.17
4bqtD-2w5zA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 4 TYR A 115
VAL A 150
CYH A 158
ILE A 134
 None
 1.27A 4bqtC-2wjfA:
undetectable
4bqtD-2wjfA:
undetectable		 4bqtC-2wjfA:
22.18
4bqtD-2wjfA:
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 VAL A  81
TYR A 136
TYR A 156
ILE A 108
 None
 1.26A 4bqtC-2xh6A:
undetectable
4bqtD-2xh6A:
undetectable		 4bqtC-2xh6A:
20.25
4bqtD-2xh6A:
20.25
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		4 VAL A 921
TYR A 902
CYH A 899
ILE A 919
 None
 1.31A 4bqtC-2y3aA:
undetectable
4bqtD-2y3aA:
undetectable		 4bqtC-2y3aA:
12.55
4bqtD-2y3aA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 VAL A  37
TYR A   8
CYH A  40
ILE A 132
 None
 1.33A 4bqtC-3ab4A:
undetectable
4bqtD-3ab4A:
undetectable		 4bqtC-3ab4A:
20.87
4bqtD-3ab4A:
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR X 270
VAL X 397
CYH X 404
ILE X 414
 None
 1.27A 4bqtC-3b8aX:
undetectable
4bqtD-3b8aX:
undetectable		 4bqtC-3b8aX:
20.05
4bqtD-3b8aX:
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR X 270
VAL X 397
CYH X 404
ILE X 414
 None
 1.27A 4bqtC-3b8aX:
undetectable
4bqtD-3b8aX:
undetectable		 4bqtC-3b8aX:
20.05
4bqtD-3b8aX:
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 TYR A 654
VAL A 649
TYR A 651
TYR A1013
 None
 1.26A 4bqtC-3bg9A:
undetectable
4bqtD-3bg9A:
undetectable		 4bqtC-3bg9A:
17.10
4bqtD-3bg9A:
17.10
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.
3cwg SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 3

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 TYR A 584
TYR A 686
CYH A 687
ILE A 654
 None
 1.18A 4bqtC-3cwgA:
2.3
4bqtD-3cwgA:
2.5		 4bqtC-3cwgA:
19.09
4bqtD-3cwgA:
19.09
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.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 4 TRP O 315
VAL O 313
CYH O 158
ILE O 296
 None
 1.30A 4bqtC-3e6aO:
undetectable
4bqtD-3e6aO:
undetectable		 4bqtC-3e6aO:
21.02
4bqtD-3e6aO:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX5

(Homo sapiens) 		PF00270
(DEAD) 		4 VAL A 183
TYR A 190
CYH A 191
ILE A 220
 None
 1.33A 4bqtC-3fe2A:
undetectable
4bqtD-3fe2A:
undetectable		 4bqtC-3fe2A:
20.99
4bqtD-3fe2A:
20.99
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.
3hd5 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Bordetella
parapertussis) 		PF00085
(Thioredoxin)
PF01323
(DSBA) 		4 VAL A  84
TYR A  56
CYH A  61
ILE A  86
 None
 1.17A 4bqtC-3hd5A:
undetectable
4bqtD-3hd5A:
undetectable		 4bqtC-3hd5A:
20.89
4bqtD-3hd5A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 654
VAL A 649
TYR A 651
TYR A1013
 None
 1.31A 4bqtC-3ho8A:
undetectable
4bqtD-3ho8A:
undetectable		 4bqtC-3ho8A:
11.13
4bqtD-3ho8A:
11.13
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.
3ihy PHOSPHATIDYLINOSITOL
3-KINASE CATALYTIC
SUBUNIT TYPE 3

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		4 TYR A 858
TYR A 737
CYH A 733
ILE A 863
 None
 1.25A 4bqtC-3ihyA:
undetectable
4bqtD-3ihyA:
undetectable		 4bqtC-3ihyA:
16.84
4bqtD-3ihyA:
16.84
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.
3j4r A-KINASE ANCHOR
PROTEIN 18

(Homo sapiens) 		PF10469
(AKAP7_NLS)
PF10470
(AKAP7_RIRII_bdg) 		4 TYR A 280
CYH A 268
CYH A 282
TYR A 279
 None
 1.24A 4bqtC-3j4rA:
undetectable
4bqtD-3j4rA:
undetectable		 4bqtC-3j4rA:
19.84
4bqtD-3j4rA:
19.84
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 VAL A 149
TYR A 213
CYH A 215
ILE A 207
 None
 1.17A 4bqtC-3juxA:
undetectable
4bqtD-3juxA:
undetectable		 4bqtC-3juxA:
13.52
4bqtD-3juxA:
13.52
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.
3kzq PUTATIVE
UNCHARACTERIZED
PROTEIN VP2116

(Vibrio
parahaemolyticus) 		PF13743
(Thioredoxin_5) 		4 TYR A 104
VAL A   8
CYH A  16
TYR A   7
 PG6  A 209 (-4.1A)
None
None
None
 1.32A 4bqtC-3kzqA:
undetectable
4bqtD-3kzqA:
undetectable		 4bqtC-3kzqA:
23.58
4bqtD-3kzqA:
23.58
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.
3l23 SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 TYR A 243
TYR A 155
CYH A 153
ILE A 189
 None
 1.24A 4bqtC-3l23A:
undetectable
4bqtD-3l23A:
undetectable		 4bqtC-3l23A:
20.32
4bqtD-3l23A:
20.32
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TRP A 147
VAL A 106
CYH A 114
CYH A 122
 None
None
ZN  A 402 (-2.4A)
ZN  A 402 (-2.2A)
 1.22A 4bqtC-3m6iA:
undetectable
4bqtD-3m6iA:
undetectable		 4bqtC-3m6iA:
20.42
4bqtD-3m6iA:
20.42
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 106
TYR A 119
CYH A 114
CYH A 122
 None
None
ZN  A 402 (-2.4A)
ZN  A 402 (-2.2A)
 1.11A 4bqtC-3m6iA:
undetectable
4bqtD-3m6iA:
undetectable		 4bqtC-3m6iA:
20.42
4bqtD-3m6iA:
20.42
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.
3msp MAJOR SPERM PROTEIN

(Ascaris suum) 		PF00635
(Motile_Sperm) 		4 VAL A  18
CYH A  74
TYR A  29
ILE A 122
 None
 1.10A 4bqtC-3mspA:
undetectable
4bqtD-3mspA:
undetectable		 4bqtC-3mspA:
21.20
4bqtD-3mspA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR A 269
VAL A 396
CYH A 403
ILE A 413
 None
 1.20A 4bqtC-3o80A:
undetectable
4bqtD-3o80A:
undetectable		 4bqtC-3o80A:
18.52
4bqtD-3o80A:
18.52
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		4 TYR A  41
VAL A 130
TYR A  34
ILE A   6
 None
 0.82A 4bqtC-3pl1A:
undetectable
4bqtD-3pl1A:
undetectable		 4bqtC-3pl1A:
21.37
4bqtD-3pl1A:
21.37
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 TYR A 658
VAL A 681
TYR A 533
ILE A 749
 None
 1.30A 4bqtC-3s29A:
undetectable
4bqtD-3s29A:
undetectable		 4bqtC-3s29A:
12.27
4bqtD-3s29A:
12.27
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.
3sw5 INORGANIC
PYROPHOSPHATASE

(Bartonella
henselae) 		PF00719
(Pyrophosphatase) 		4 TYR A 142
TYR A  52
TYR A  56
ILE A 135
 None
 1.33A 4bqtC-3sw5A:
undetectable
4bqtD-3sw5A:
undetectable		 4bqtC-3sw5A:
23.21
4bqtD-3sw5A:
23.21
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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 VAL A 257
TYR A 251
TYR A  63
ILE A 296
 None
 1.31A 4bqtC-3tnxA:
undetectable
4bqtD-3tnxA:
undetectable		 4bqtC-3tnxA:
20.44
4bqtD-3tnxA:
20.44
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		4 TYR A 140
TYR A  50
CYH A  52
ILE A 133
 None
 0.97A 4bqtC-3tr4A:
undetectable
4bqtD-3tr4A:
undetectable		 4bqtC-3tr4A:
25.00
4bqtD-3tr4A:
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		4 VAL A 135
TYR A 105
CYH A 104
ILE A  86
 None
 1.26A 4bqtC-3v70A:
undetectable
4bqtD-3v70A:
undetectable		 4bqtC-3v70A:
20.08
4bqtD-3v70A:
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.
3vqi ATG5

(Kluyveromyces
marxianus) 		PF04106
(APG5) 		4 VAL A  38
CYH A  86
TYR A  48
ILE A  13
 None
 0.91A 4bqtC-3vqiA:
undetectable
4bqtD-3vqiA:
undetectable		 4bqtC-3vqiA:
19.79
4bqtD-3vqiA:
19.79
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.
3w1s AUTOPHAGY PROTEIN 5

(Saccharomyces
cerevisiae) 		PF04106
(APG5) 		4 TYR A  44
TRP A  83
TYR A  85
ILE A 131
 None
 1.31A 4bqtC-3w1sA:
undetectable
4bqtD-3w1sA:
undetectable		 4bqtC-3w1sA:
23.21
4bqtD-3w1sA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.52A 4bqtC-3zdhA:
25.1
4bqtD-3zdhA:
25.0		 4bqtC-3zdhA:
35.32
4bqtD-3zdhA:
35.32
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 4 TYR A 275
VAL A  32
TYR A 278
ILE A  29
 None
 1.09A 4bqtC-3zphA:
undetectable
4bqtD-3zphA:
undetectable		 4bqtC-3zphA:
22.30
4bqtD-3zphA:
22.30
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.
4a2i PUTATIVE RIBOSOME
BIOGENESIS GTPASE
RSGA

(Salmonella
enterica) 		PF03193
(RsgA_GTPase) 		4 VAL V 135
TYR V 152
CYH V 156
ILE V 219
 None
 1.02A 4bqtC-4a2iV:
undetectable
4bqtD-4a2iV:
undetectable		 4bqtC-4a2iV:
20.75
4bqtD-4a2iV:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		4 TRP A 153
VAL A 154
TYR A 194
TYR A 201
 SW4  A1213 (-4.0A)
SW4  A1213 (-4.5A)
SW4  A1213 ( 3.8A)
SW4  A1213 (-3.7A)
 0.36A 4bqtC-4b5dA:
21.9
4bqtD-4b5dA:
21.9		 4bqtC-4b5dA:
29.88
4bqtD-4b5dA:
29.88
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 VAL A 921
TYR A 902
CYH A 899
ILE A 919
 None
 1.29A 4bqtC-4bfrA:
undetectable
4bqtD-4bfrA:
undetectable		 4bqtC-4bfrA:
13.86
4bqtD-4bfrA:
13.86
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 TYR A  25
VAL A   6
TYR A   7
ILE A 134
 None
 1.11A 4bqtC-4bz7A:
undetectable
4bqtD-4bz7A:
undetectable		 4bqtC-4bz7A:
20.96
4bqtD-4bz7A:
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.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF01399
(PCI) 		4 TYR C 176
CYH C 146
TYR C 184
ILE C 128
 None
 1.32A 4bqtC-4d10C:
undetectable
4bqtD-4d10C:
undetectable		 4bqtC-4d10C:
19.39
4bqtD-4d10C:
19.39
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.
4es1 BH0342 PROTEIN

(Bacillus
halodurans) 		PF09827
(CRISPR_Cas2) 		4 VAL A  23
TYR A  30
CYH A  41
ILE A   5
 None
 1.14A 4bqtC-4es1A:
undetectable
4bqtD-4es1A:
undetectable		 4bqtC-4es1A:
17.97
4bqtD-4es1A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 TYR A 128
TRP A 190
VAL A 189
TYR A 342
 None
 1.30A 4bqtC-4ewpA:
undetectable
4bqtD-4ewpA:
undetectable		 4bqtC-4ewpA:
19.19
4bqtD-4ewpA:
19.19
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.
4g59 M152 PROTEIN

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		4 VAL C 249
TYR C 184
CYH C 197
ILE C 209
 None
 0.90A 4bqtC-4g59C:
undetectable
4bqtD-4g59C:
undetectable		 4bqtC-4g59C:
20.36
4bqtD-4g59C:
20.36
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		4 TYR A 194
VAL A 170
TYR A 188
ILE A 106
 None
 1.25A 4bqtC-4gfhA:
undetectable
4bqtD-4gfhA:
undetectable		 4bqtC-4gfhA:
10.54
4bqtD-4gfhA:
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 TYR A 119
VAL A 178
TYR A 163
ILE A 123
 None
 1.26A 4bqtC-4gvlA:
undetectable
4bqtD-4gvlA:
undetectable		 4bqtC-4gvlA:
16.59
4bqtD-4gvlA:
16.59
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		4 TYR A 119
VAL A 178
TYR A 163
ILE A 123
 None
 1.29A 4bqtC-4gx0A:
undetectable
4bqtD-4gx0A:
undetectable		 4bqtC-4gx0A:
16.79
4bqtD-4gx0A:
16.79
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 VAL A  81
TYR A 136
TYR A 156
ILE A 108
 None
 1.23A 4bqtC-4p5hA:
undetectable
4bqtD-4p5hA:
undetectable		 4bqtC-4p5hA:
20.68
4bqtD-4p5hA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		4 TYR A  60
VAL A  33
TYR A 330
ILE A  56
 None
 1.13A 4bqtC-4qhxA:
undetectable
4bqtD-4qhxA:
undetectable		 4bqtC-4qhxA:
19.27
4bqtD-4qhxA:
19.27
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 4 TYR H 623
VAL H 618
TYR H 620
TYR H 979
 None
 1.27A 4bqtC-4qslH:
undetectable
4bqtD-4qslH:
undetectable		 4bqtC-4qslH:
11.15
4bqtD-4qslH:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3
NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP)
PF01399
(PCI) 		4 TYR A 426
VAL B 403
CYH B 417
ILE B 408
 None
 1.24A 4bqtC-4trqA:
undetectable
4bqtD-4trqA:
undetectable		 4bqtC-4trqA:
21.59
4bqtD-4trqA:
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.
4wwr LARGE PROLINE-RICH
PROTEIN BAG6
UBIQUITIN-LIKE
PROTEIN 4A

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 TYR B 123
TRP B  96
TYR A1092
ILE B  99
 None
 1.22A 4bqtC-4wwrB:
undetectable
4bqtD-4wwrB:
undetectable		 4bqtC-4wwrB:
16.15
4bqtD-4wwrB:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		4 VAL A1923
TYR A1904
CYH A1901
ILE A1921
 None
 1.22A 4bqtC-4yknA:
undetectable
4bqtD-4yknA:
undetectable		 4bqtC-4yknA:
10.51
4bqtD-4yknA:
10.51
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Homo sapiens;
Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		4 VAL A 130
TYR A 223
CYH A 222
ILE A 218
 None
 1.31A 4bqtC-4zwjA:
2.0
4bqtD-4zwjA:
undetectable		 4bqtC-4zwjA:
13.67
4bqtD-4zwjA:
13.67
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.
5coz UNCHARACTERIZED
PROTEIN

([Eubacterium]
rectale) 		no annotation 4 VAL A 346
TYR A 168
CYH A 251
TYR A 347
 None
 1.22A 4bqtC-5cozA:
undetectable
4bqtD-5cozA:
undetectable		 4bqtC-5cozA:
19.24
4bqtD-5cozA:
19.24
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.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 TRP A 108
VAL A 132
CYH A  90
TYR A 109
 None
 1.30A 4bqtC-5e3iA:
undetectable
4bqtD-5e3iA:
undetectable		 4bqtC-5e3iA:
17.85
4bqtD-5e3iA:
17.85
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A

(Homo sapiens) 		PF00856
(SET) 		4 VAL A3927
TYR A3942
CYH A3913
ILE A3856
 None
 1.16A 4bqtC-5f6lA:
undetectable
4bqtD-5f6lA:
undetectable		 4bqtC-5f6lA:
23.15
4bqtD-5f6lA:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.58A 4bqtC-5fjvA:
22.6
4bqtD-5fjvA:
22.6		 4bqtC-5fjvA:
31.39
4bqtD-5fjvA:
31.39
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 TYR A 759
VAL A 699
TYR A 692
TYR A 297
 None
 1.31A 4bqtC-5gl7A:
undetectable
4bqtD-5gl7A:
undetectable		 4bqtC-5gl7A:
17.03
4bqtD-5gl7A:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 TYR B1254
VAL B1249
TYR B1252
ILE B1299
 None
 1.27A 4bqtC-5gztB:
undetectable
4bqtD-5gztB:
undetectable		 4bqtC-5gztB:
11.52
4bqtD-5gztB:
11.52
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 TYR A1254
VAL A1249
TYR A1252
ILE A1299
 None
 1.28A 4bqtC-5gzuA:
undetectable
4bqtD-5gzuA:
undetectable		 4bqtC-5gzuA:
14.08
4bqtD-5gzuA:
14.08
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.
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		4 TYR A 275
CYH A 263
CYH A 277
TYR A 274
 MLI  A 303 ( 4.5A)
None
None
None
 1.21A 4bqtC-5jj2A:
undetectable
4bqtD-5jj2A:
undetectable		 4bqtC-5jj2A:
17.99
4bqtD-5jj2A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 VAL A  47
TYR A  35
TYR A  46
ILE A  76
 None
 1.22A 4bqtC-5k0wA:
undetectable
4bqtD-5k0wA:
undetectable		 4bqtC-5k0wA:
20.98
4bqtD-5k0wA:
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.66A 4bqtC-5kxiA:
24.3
4bqtD-5kxiA:
24.2		 4bqtC-5kxiA:
19.00
4bqtD-5kxiA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 TYR B 370
VAL B 750
TYR B 431
ILE B 691
 None
 1.26A 4bqtC-5kyuB:
undetectable
4bqtD-5kyuB:
undetectable		 4bqtC-5kyuB:
14.32
4bqtD-5kyuB:
14.32
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.
5mp2 TYPE II SECRETION
SYSTEM PROTEIN D
CAMELID NANOBODY
VHH04

(Pseudomonas
aeruginosa;
Lama glama) 		no annotation
no annotation 		4 TYR C  59
VAL A  90
TYR C  52
ILE A  55
 None
 1.11A 4bqtC-5mp2C:
undetectable
4bqtD-5mp2C:
undetectable		 4bqtC-5mp2C:
undetectable
4bqtD-5mp2C:
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 4 VAL E 306
TYR E 204
TYR E 444
ILE E 301
 None
 1.29A 4bqtC-5n6yE:
undetectable
4bqtD-5n6yE:
undetectable		 4bqtC-5n6yE:
18.49
4bqtD-5n6yE:
18.49
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.
5t00 TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		PF00096
(zf-C2H2)
PF13909
(zf-H2C2_5) 		4 TYR A 358
CYH A 353
CYH A 356
ILE A 370
 None
ZN  A 502 (-2.2A)
ZN  A 502 (-2.3A)
None
 1.23A 4bqtC-5t00A:
undetectable
4bqtD-5t00A:
undetectable		 4bqtC-5t00A:
19.72
4bqtD-5t00A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 TYR A 347
VAL A 162
CYH A  35
ILE A 244
 None
 1.16A 4bqtC-5t13A:
undetectable
4bqtD-5t13A:
undetectable		 4bqtC-5t13A:
19.74
4bqtD-5t13A:
19.74
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 TYR A 374
CYH A  62
TYR A 296
ILE A 304
 None
 1.30A 4bqtC-5uhpA:
undetectable
4bqtD-5uhpA:
undetectable		 4bqtC-5uhpA:
17.01
4bqtD-5uhpA:
17.01
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.
5vh2 CADHERIN-23

(Mus musculus) 		no annotation 4 VAL A1207
CYH A1274
TYR A1190
ILE A1235
 None
 1.25A 4bqtC-5vh2A:
undetectable
4bqtD-5vh2A:
undetectable		 4bqtC-5vh2A:
undetectable
4bqtD-5vh2A:
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 4 VAL A 923
TYR A 904
CYH A 901
ILE A 921
 None
 1.11A 4bqtC-5xgjA:
undetectable
4bqtD-5xgjA:
undetectable		 4bqtC-5xgjA:
undetectable
4bqtD-5xgjA:
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 TYR A 277
TYR A 262
CYH A 215
ILE A 191
 None
 0.96A 4bqtC-6b2wA:
undetectable
4bqtD-6b2wA:
undetectable		 4bqtC-6b2wA:
undetectable
4bqtD-6b2wA:
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 TYR A 277
TYR A 262
CYH A 215
ILE A 191
 None
 1.32A 4bqtC-6b2wA:
undetectable
4bqtD-6b2wA:
undetectable		 4bqtC-6b2wA:
undetectable
4bqtD-6b2wA:
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 4 VAL A 330
TYR A 336
CYH A 566
CYH A 337
 None
 1.05A 4bqtC-6cddA:
undetectable
4bqtD-6cddA:
undetectable		 4bqtC-6cddA:
undetectable
4bqtD-6cddA:
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.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 4 VAL A 330
TYR A 336
CYH A 566
CYH A 337
 None
 1.12A 4bqtC-6chsA:
undetectable
4bqtD-6chsA:
undetectable		 4bqtC-6chsA:
undetectable
4bqtD-6chsA:
undetectable