SIMILAR PATTERNS OF AMINO ACIDS FOR 5HRQ_K_IPHK101_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.
1ef4 DNA-DIRECTED RNA
POLYMERASE

(Methanothermobacter
thermautotrophicus) 		PF01194
(RNA_pol_N) 		4 CYH A  44
CYH A   6
HIS A  51
LEU A  48
 ZN  A  56 (-2.3A)
ZN  A  56 (-2.2A)
None
None
 1.29A 5hrqH-1ef4A:
undetectable
5hrqK-1ef4A:
undetectable
5hrqL-1ef4A:
undetectable		 5hrqH-1ef4A:
18.18
5hrqK-1ef4A:
20.45
5hrqL-1ef4A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 HIS A1391
CYH A1244
HIS A1235
LEU A1236
 None
 1.31A 5hrqH-1f20A:
undetectable
5hrqK-1f20A:
undetectable
5hrqL-1f20A:
undetectable		 5hrqH-1f20A:
7.35
5hrqK-1f20A:
4.43
5hrqL-1f20A:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzh DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Aquifex
aeolicus) 		PF01791
(DeoC) 		4 CYH A 138
CYH A 157
HIS A 143
LEU A 113
 None
 1.42A 5hrqH-1mzhA:
undetectable
5hrqK-1mzhA:
undetectable
5hrqL-1mzhA:
undetectable		 5hrqH-1mzhA:
13.94
5hrqK-1mzhA:
6.74
5hrqL-1mzhA:
13.94
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.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		4 VAL A 339
HIS A 323
HIS A 321
LEU A 319
 None
 1.42A 5hrqH-1n31A:
undetectable
5hrqK-1n31A:
undetectable
5hrqL-1n31A:
undetectable		 5hrqH-1n31A:
6.61
5hrqK-1n31A:
3.95
5hrqL-1n31A:
6.61
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.
1q1a HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		4 VAL A 177
HIS A 142
CYH A 146
HIS A 140
 None
None
ZN  A 701 (-2.3A)
None
 1.42A 5hrqH-1q1aA:
undetectable
5hrqK-1q1aA:
undetectable
5hrqL-1q1aA:
undetectable		 5hrqH-1q1aA:
7.26
5hrqK-1q1aA:
6.05
5hrqL-1q1aA:
7.26
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.
1q3i NA,K-ATPASE

(Sus scrofa) 		PF13246
(Cation_ATPase) 		4 HIS A 486
CYH A 421
HIS A 496
LEU A 498
 None
 1.41A 5hrqH-1q3iA:
undetectable
5hrqK-1q3iA:
undetectable
5hrqL-1q3iA:
undetectable		 5hrqH-1q3iA:
12.11
5hrqK-1q3iA:
7.47
5hrqL-1q3iA:
12.11
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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 HIS A 402
CYH A 393
HIS A 364
LEU A 366
 None
 1.16A 5hrqH-1q5nA:
undetectable
5hrqK-1q5nA:
undetectable
5hrqL-1q5nA:
undetectable		 5hrqH-1q5nA:
7.32
5hrqK-1q5nA:
4.28
5hrqL-1q5nA:
7.32
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.
1sc0 HYPOTHETICAL PROTEIN
HI1161

(Haemophilus
influenzae) 		PF03061
(4HBT) 		4 HIS A  89
CYH A 126
HIS A  54
LEU A  53
 None
 1.29A 5hrqH-1sc0A:
undetectable
5hrqK-1sc0A:
undetectable
5hrqL-1sc0A:
undetectable		 5hrqH-1sc0A:
14.17
5hrqK-1sc0A:
10.62
5hrqL-1sc0A:
14.17
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 HIS A1391
CYH A1244
HIS A1235
LEU A1236
 None
 1.35A 5hrqH-1tllA:
undetectable
5hrqK-1tllA:
undetectable
5hrqL-1tllA:
undetectable		 5hrqH-1tllA:
7.35
5hrqK-1tllA:
2.34
5hrqL-1tllA:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1weu INHIBITOR OF GROWTH
FAMILY, MEMBER 4

(Mus musculus) 		PF00628
(PHD) 		4 VAL A  67
CYH A  79
HIS A  63
LEU A  40
 None
ZN  A 401 (-2.3A)
ZN  A 201 (-3.4A)
None
 1.48A 5hrqH-1weuA:
undetectable
5hrqK-1weuA:
undetectable
5hrqL-1weuA:
undetectable		 5hrqH-1weuA:
15.85
5hrqK-1weuA:
11.94
5hrqL-1weuA:
15.85
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.
1wev RIKEN CDNA
1110020M19

(Mus musculus) 		PF00130
(C1_1)
PF00628
(PHD) 		4 VAL A  34
CYH A  66
CYH A  36
HIS A  44
 None
ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
ZN  A 201 (-3.4A)
 1.47A 5hrqH-1wevA:
undetectable
5hrqK-1wevA:
undetectable
5hrqL-1wevA:
undetectable		 5hrqH-1wevA:
19.18
5hrqK-1wevA:
13.75
5hrqL-1wevA:
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.
1x0t RIBONUCLEASE P
PROTEIN COMPONENT 4

(Pyrococcus
horikoshii) 		PF04032
(Rpr2) 		4 VAL A  45
CYH A  68
CYH A  71
LEU A  75
 None
ZN  A 150 (-2.3A)
ZN  A 150 (-2.3A)
None
 1.37A 5hrqH-1x0tA:
undetectable
5hrqK-1x0tA:
undetectable
5hrqL-1x0tA:
undetectable		 5hrqH-1x0tA:
12.50
5hrqK-1x0tA:
15.00
5hrqL-1x0tA:
12.50
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 140
CYH A 133
HIS A 282
LEU A 286
 None
 1.44A 5hrqH-2bujA:
undetectable
5hrqK-2bujA:
undetectable
5hrqL-2bujA:
undetectable		 5hrqH-2bujA:
6.02
5hrqK-2bujA:
8.52
5hrqL-2bujA:
6.02
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 VAL A 177
HIS A 180
HIS A 217
LEU A 216
 None
 1.30A 5hrqH-2c9kA:
undetectable
5hrqK-2c9kA:
undetectable
5hrqL-2c9kA:
undetectable		 5hrqH-2c9kA:
4.03
5hrqK-2c9kA:
7.77
5hrqL-2c9kA:
4.03
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.
2fiy PROTEIN FDHE HOMOLOG

(Pseudomonas
aeruginosa) 		PF04216
(FdhE) 		4 CYH A 214
CYH A 188
HIS A 166
LEU A 168
 FE  A 401 (-2.3A)
FE  A 401 (-2.3A)
None
None
 1.48A 5hrqH-2fiyA:
undetectable
5hrqK-2fiyA:
undetectable
5hrqL-2fiyA:
undetectable		 5hrqH-2fiyA:
9.02
5hrqK-2fiyA:
6.14
5hrqL-2fiyA:
9.02
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.
2jmo PARKIN

(Homo sapiens) 		PF01485
(IBR) 		4 VAL A  46
CYH A  48
CYH A  28
LEU A  37
 None
ZN  A 201 (-2.3A)
ZN  A 201 (-2.3A)
None
 1.40A 5hrqH-2jmoA:
undetectable
5hrqK-2jmoA:
undetectable
5hrqL-2jmoA:
undetectable		 5hrqH-2jmoA:
16.67
5hrqK-2jmoA:
12.16
5hrqL-2jmoA:
16.67
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB

(Methanothermobacter
thermautotrophicus) 		PF01641
(SelR) 		4 CYH A 116
CYH A 119
HIS A 122
LEU A 123
 ZN  A 155 ( 2.3A)
ZN  A 155 ( 2.4A)
None
None
 1.40A 5hrqH-2k8dA:
undetectable
5hrqK-2k8dA:
undetectable
5hrqL-2k8dA:
undetectable		 5hrqH-2k8dA:
9.70
5hrqK-2k8dA:
9.42
5hrqL-2k8dA:
9.70
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.
2m85 E3 UBIQUITIN-PROTEIN
LIGASE SHPRH

(Homo sapiens) 		PF00628
(PHD) 		4 VAL A 689
CYH A 703
CYH A 677
HIS A 685
 None
ZN  A 802 (-2.3A)
ZN  A 802 (-2.3A)
ZN  A 801 (-3.1A)
 1.42A 5hrqH-2m85A:
undetectable
5hrqK-2m85A:
undetectable
5hrqL-2m85A:
undetectable		 5hrqH-2m85A:
16.67
5hrqK-2m85A:
19.67
5hrqL-2m85A:
16.67
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.
2mq1 E3 UBIQUITIN-PROTEIN
LIGASE HAKAI

(Mus musculus) 		no annotation 4 VAL A   1
CYH A   4
CYH A  25
HIS A  22
 None
ZN  A 101 (-2.5A)
ZN  A 101 (-2.2A)
ZN  A 102 (-2.8A)
 1.27A 5hrqH-2mq1A:
undetectable
5hrqK-2mq1A:
undetectable
5hrqL-2mq1A:
undetectable		 5hrqH-2mq1A:
8.99
5hrqK-2mq1A:
17.33
5hrqL-2mq1A:
8.99
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.
2mum CHROMATIN
MODIFICATION-RELATED
PROTEIN YNG2

(Saccharomyces
cerevisiae) 		PF00628
(PHD) 		4 VAL A 236
CYH A 265
CYH A 238
HIS A 249
 None
ZN  A 302 (-2.3A)
ZN  A 302 (-2.3A)
ZN  A 301 (-3.2A)
 1.44A 5hrqH-2mumA:
undetectable
5hrqK-2mumA:
undetectable
5hrqL-2mumA:
undetectable		 5hrqH-2mumA:
19.51
5hrqK-2mumA:
20.59
5hrqL-2mumA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2naa HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Mus musculus) 		no annotation 4 VAL A  19
CYH A  47
CYH A  21
HIS A  31
 None
ZN  A 102 (-2.3A)
ZN  A 102 (-2.2A)
ZN  A 101 (-3.0A)
 1.48A 5hrqH-2naaA:
undetectable
5hrqK-2naaA:
undetectable
5hrqL-2naaA:
undetectable		 5hrqH-2naaA:
13.83
5hrqK-2naaA:
25.00
5hrqL-2naaA:
13.83
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 VAL A 214
HIS A  23
HIS A 221
LEU A 518
 None
 1.47A 5hrqH-2o78A:
undetectable
5hrqK-2o78A:
undetectable
5hrqL-2o78A:
undetectable		 5hrqH-2o78A:
4.58
5hrqK-2o78A:
2.67
5hrqL-2o78A:
4.58
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.
2v9k UNCHARACTERIZED
PROTEIN FLJ32312

(Homo sapiens) 		no annotation 4 CYH A 230
CYH A 233
HIS A 224
LEU A 226
 None
 1.32A 5hrqH-2v9kA:
undetectable
5hrqK-2v9kA:
undetectable
5hrqL-2v9kA:
undetectable		 5hrqH-2v9kA:
5.64
5hrqK-2v9kA:
4.03
5hrqL-2v9kA:
5.64
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.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1

(Saccharomyces
cerevisiae) 		PF12697
(Abhydrolase_6) 		4 VAL A 141
CYH A 154
HIS A 163
LEU A 161
 None
 1.49A 5hrqH-2y6vA:
undetectable
5hrqK-2y6vA:
undetectable
5hrqL-2y6vA:
undetectable		 5hrqH-2y6vA:
21.57
5hrqK-2y6vA:
4.27
5hrqL-2y6vA:
21.57
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 VAL A  17
HIS A  22
HIS A  45
LEU A  42
 None
 1.24A 5hrqH-2yp1A:
undetectable
5hrqK-2yp1A:
undetectable
5hrqL-2yp1A:
undetectable		 5hrqH-2yp1A:
10.91
5hrqK-2yp1A:
5.02
5hrqL-2yp1A:
10.91
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.
2zl5 58 KD CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		4 VAL A 345
HIS A 329
CYH A 326
LEU A 373
 None
 1.35A 5hrqH-2zl5A:
undetectable
5hrqK-2zl5A:
undetectable
5hrqL-2zl5A:
undetectable		 5hrqH-2zl5A:
9.45
5hrqK-2zl5A:
6.44
5hrqL-2zl5A:
9.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c19 UNCHARACTERIZED
PROTEIN MK0293

(Methanopyrus
kandleri) 		PF01969
(DUF111) 		4 HIS A  42
CYH A  41
HIS A  55
LEU A  57
 PO4  A 185 (-4.2A)
None
None
None
 1.31A 5hrqH-3c19A:
undetectable
5hrqK-3c19A:
undetectable
5hrqL-3c19A:
undetectable		 5hrqH-3c19A:
12.69
5hrqK-3c19A:
5.81
5hrqL-3c19A:
12.69
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 VAL A 327
HIS A 296
HIS A 293
LEU A 290
 None
 1.36A 5hrqH-3dbgA:
undetectable
5hrqK-3dbgA:
undetectable
5hrqL-3dbgA:
undetectable		 5hrqH-3dbgA:
4.75
5hrqK-3dbgA:
3.41
5hrqL-3dbgA:
4.75
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.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		4 VAL A  84
HIS A  85
CYH A 123
HIS A  86
 None
None
CD  A 501 (-2.5A)
None
 1.44A 5hrqH-3hrtA:
undetectable
5hrqK-3hrtA:
undetectable
5hrqL-3hrtA:
undetectable		 5hrqH-3hrtA:
9.35
5hrqK-3hrtA:
9.52
5hrqL-3hrtA:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 21

(Homo sapiens) 		PF00443
(UCH) 		4 VAL A 537
HIS A 530
CYH A 523
HIS A 211
 None
 0.98A 5hrqH-3i3tA:
undetectable
5hrqK-3i3tA:
undetectable
5hrqL-3i3tA:
undetectable		 5hrqH-3i3tA:
6.43
5hrqK-3i3tA:
5.00
5hrqL-3i3tA:
6.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		4 VAL X 468
HIS X 467
CYH X 438
LEU X 514
 None
 1.41A 5hrqH-3lxuX:
undetectable
5hrqK-3lxuX:
undetectable
5hrqL-3lxuX:
undetectable		 5hrqH-3lxuX:
2.37
5hrqK-3lxuX:
2.13
5hrqL-3lxuX:
2.37
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.
3nqw CG11900

(Drosophila
melanogaster) 		PF13328
(HD_4) 		4 VAL A  34
HIS A  20
HIS A  62
LEU A  60
 None
None
MN  A 300 (-3.5A)
None
 1.28A 5hrqH-3nqwA:
undetectable
5hrqK-3nqwA:
undetectable
5hrqL-3nqwA:
undetectable		 5hrqH-3nqwA:
12.42
5hrqK-3nqwA:
11.02
5hrqL-3nqwA:
12.42
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.
3nul PROFILIN I

(Arabidopsis
thaliana) 		PF00235
(Profilin) 		4 VAL A  15
CYH A 115
HIS A  19
LEU A  20
 None
 1.29A 5hrqH-3nulA:
undetectable
5hrqK-3nulA:
undetectable
5hrqL-3nulA:
undetectable		 5hrqH-3nulA:
19.09
5hrqK-3nulA:
8.70
5hrqL-3nulA:
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.
3q06 CELLULAR TUMOR
ANTIGEN P53

(Homo sapiens) 		PF00870
(P53)
PF07710
(P53_tetramer) 		4 VAL A 274
CYH A 238
CYH A 242
LEU A 194
 None
ZN  A   1 (-2.4A)
ZN  A   1 (-2.3A)
None
 1.08A 5hrqH-3q06A:
undetectable
5hrqK-3q06A:
undetectable
5hrqL-3q06A:
undetectable		 5hrqH-3q06A:
10.55
5hrqK-3q06A:
6.10
5hrqL-3q06A:
10.55
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.
3tw4 SEPTIN-7

(Homo sapiens) 		PF00735
(Septin) 		4 VAL A 168
HIS A 286
CYH A 141
HIS A 165
 None
 1.48A 5hrqH-3tw4A:
undetectable
5hrqK-3tw4A:
undetectable
5hrqL-3tw4A:
undetectable		 5hrqH-3tw4A:
7.41
5hrqK-3tw4A:
5.75
5hrqL-3tw4A:
7.41
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 372
HIS A 370
CYH A 321
HIS A 327
 None
 1.46A 5hrqH-3v4bA:
undetectable
5hrqK-3v4bA:
undetectable
5hrqL-3v4bA:
undetectable		 5hrqH-3v4bA:
6.54
5hrqK-3v4bA:
6.97
5hrqL-3v4bA:
6.54
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.
3zh9 DELTA

(Bacillus
subtilis) 		PF06144
(DNA_pol3_delta) 		4 VAL B  17
CYH B  19
HIS B 137
LEU B 134
 None
None
GOL  B1347 (-3.8A)
None
 1.22A 5hrqH-3zh9B:
undetectable
5hrqK-3zh9B:
undetectable
5hrqL-3zh9B:
undetectable		 5hrqH-3zh9B:
6.25
5hrqK-3zh9B:
4.52
5hrqL-3zh9B:
6.25
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 133
HIS A 296
CYH A  89
CYH A  95
 None
None
ZN  A1300 (-2.3A)
ZN  A1300 (-2.3A)
 1.40A 5hrqH-4cpdA:
undetectable
5hrqK-4cpdA:
undetectable
5hrqL-4cpdA:
undetectable		 5hrqH-4cpdA:
9.22
5hrqK-4cpdA:
8.08
5hrqL-4cpdA:
9.22
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 VAL A1350
HIS A1366
CYH A1352
LEU A1311
 None
 1.12A 5hrqH-4d8oA:
undetectable
5hrqK-4d8oA:
undetectable
5hrqL-4d8oA:
undetectable		 5hrqH-4d8oA:
4.59
5hrqK-4d8oA:
3.99
5hrqL-4d8oA:
4.59
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		4 HIS A 172
CYH A 197
CYH A 206
LEU A 199
 None
 1.15A 5hrqH-4h0oA:
undetectable
5hrqK-4h0oA:
undetectable
5hrqL-4h0oA:
undetectable		 5hrqH-4h0oA:
7.77
5hrqK-4h0oA:
3.98
5hrqL-4h0oA:
7.77
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.
4k49 ESTERASE YDII

(Escherichia
coli) 		no annotation 4 HIS C  89
CYH C 126
HIS C  54
LEU C  53
 HFQ  C 201 (-4.1A)
None
HFQ  C 201 (-3.7A)
None
 1.45A 5hrqH-4k49C:
undetectable
5hrqK-4k49C:
undetectable
5hrqL-4k49C:
undetectable		 5hrqH-4k49C:
17.24
5hrqK-4k49C:
11.36
5hrqL-4k49C:
17.24
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.
4k4d PROOFREADING
THIOESTERASE ENTH

(Escherichia
coli) 		PF03061
(4HBT) 		4 HIS A  89
CYH A 126
HIS A  54
LEU A  53
 HFQ  A 201 (-4.2A)
None
HFQ  A 201 (-3.2A)
None
 1.37A 5hrqH-4k4dA:
undetectable
5hrqK-4k4dA:
undetectable
5hrqL-4k4dA:
undetectable		 5hrqH-4k4dA:
14.29
5hrqK-4k4dA:
8.70
5hrqL-4k4dA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		4 VAL A 423
HIS A 373
CYH A 419
LEU A 506
 None
 1.23A 5hrqH-4lmoA:
undetectable
5hrqK-4lmoA:
undetectable
5hrqL-4lmoA:
undetectable		 5hrqH-4lmoA:
13.64
5hrqK-4lmoA:
7.27
5hrqL-4lmoA:
13.64
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.
4mwf FAB AR3C HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL A  20
HIS A  79
CYH A  92
CYH A  22
LEU A  34
 None
 1.40A 5hrqH-4mwfA:
undetectable
5hrqK-4mwfA:
undetectable
5hrqL-4mwfA:
undetectable		 5hrqH-4mwfA:
10.18
5hrqK-4mwfA:
6.60
5hrqL-4mwfA:
10.18
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.
4n3w CREB-BINDING PROTEIN

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902) 		4 VAL A1295
CYH A1308
CYH A1283
HIS A1291
 None
ZN  A1402 (-2.3A)
ZN  A1402 (-2.2A)
ZN  A1401 (-3.0A)
 1.34A 5hrqH-4n3wA:
undetectable
5hrqK-4n3wA:
undetectable
5hrqL-4n3wA:
undetectable		 5hrqH-4n3wA:
7.79
5hrqK-4n3wA:
8.42
5hrqL-4n3wA:
7.79
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		4 VAL A 439
HIS A 389
CYH A 435
LEU A 523
 None
 1.10A 5hrqH-4o26A:
undetectable
5hrqK-4o26A:
undetectable
5hrqL-4o26A:
undetectable		 5hrqH-4o26A:
8.27
5hrqK-4o26A:
5.65
5hrqL-4o26A:
8.27
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.
4o7p MALTOKINASE

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A 261
HIS A 262
HIS A 320
LEU A 172
 None
 1.40A 5hrqH-4o7pA:
undetectable
5hrqK-4o7pA:
undetectable
5hrqL-4o7pA:
undetectable		 5hrqH-4o7pA:
5.10
5hrqK-4o7pA:
4.30
5hrqL-4o7pA:
5.10
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 VAL A 209
CYH A  98
HIS A 113
LEU A 100
 None
 1.19A 5hrqH-4rasA:
undetectable
5hrqK-4rasA:
undetectable
5hrqL-4rasA:
undetectable		 5hrqH-4rasA:
3.62
5hrqK-4rasA:
3.00
5hrqL-4rasA:
3.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgu REPRESSOR PROTEIN

(Acinetobacter
sp. ADP1) 		PF01047
(MarR) 		4 VAL A 118
CYH A 114
HIS A  35
LEU A  36
 FER  A 201 (-4.5A)
None
None
None
 1.45A 5hrqH-4rguA:
undetectable
5hrqK-4rguA:
undetectable
5hrqL-4rguA:
undetectable		 5hrqH-4rguA:
9.20
5hrqK-4rguA:
9.32
5hrqL-4rguA:
9.20
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		4 VAL A 244
HIS A 245
HIS A 303
LEU A 164
 None
 1.43A 5hrqH-4u98A:
undetectable
5hrqK-4u98A:
undetectable
5hrqL-4u98A:
undetectable		 5hrqH-4u98A:
5.24
5hrqK-4u98A:
4.02
5hrqL-4u98A:
5.24
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.
4wed ABC TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Sinorhizobium
meliloti) 		PF00496
(SBP_bac_5) 		4 VAL A 142
CYH A 115
HIS A 147
LEU A  98
 None
 1.13A 5hrqH-4wedA:
undetectable
5hrqK-4wedA:
undetectable
5hrqL-4wedA:
undetectable		 5hrqH-4wedA:
4.75
5hrqK-4wedA:
3.53
5hrqL-4wedA:
4.75
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		4 VAL A  55
HIS A  58
HIS A 117
LEU A 114
 None
FE2  A 202 (-3.4A)
FE2  A 201 (-3.4A)
None
 0.96A 5hrqH-4xpxA:
undetectable
5hrqK-4xpxA:
undetectable
5hrqL-4xpxA:
undetectable		 5hrqH-4xpxA:
16.22
5hrqK-4xpxA:
8.47
5hrqL-4xpxA:
16.22
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		4 VAL A 117
HIS A 118
CYH A 155
HIS A 115
 None
 1.42A 5hrqH-4y96A:
undetectable
5hrqK-4y96A:
undetectable
5hrqL-4y96A:
undetectable		 5hrqH-4y96A:
11.44
5hrqK-4y96A:
8.77
5hrqL-4y96A:
11.44
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.
4ypg INTERFERON ALPHA-2

(Homo sapiens) 		PF00143
(Interferon) 		4 VAL C 142
CYH C 138
CYH C  29
HIS C  34
 None
 1.47A 5hrqH-4ypgC:
undetectable
5hrqK-4ypgC:
undetectable
5hrqL-4ypgC:
undetectable		 5hrqH-4ypgC:
15.52
5hrqK-4ypgC:
7.33
5hrqL-4ypgC:
15.52
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.
5aj8 TUBULIN BINDING
COFACTOR C

(Leishmania
major) 		PF07986
(TBCC) 		4 VAL A 268
CYH A 210
CYH A 227
HIS A 264
 None
 1.45A 5hrqH-5aj8A:
undetectable
5hrqK-5aj8A:
undetectable
5hrqL-5aj8A:
undetectable		 5hrqH-5aj8A:
10.37
5hrqK-5aj8A:
7.74
5hrqL-5aj8A:
10.37
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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		4 VAL A  95
HIS A  99
HIS A 112
LEU A 116
 None
 1.07A 5hrqH-5bq9A:
undetectable
5hrqK-5bq9A:
undetectable
5hrqL-5bq9A:
undetectable		 5hrqH-5bq9A:
4.38
5hrqK-5bq9A:
3.09
5hrqL-5bq9A:
4.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5btx LPG1496

(Legionella
pneumophila) 		no annotation 4 VAL A  95
HIS A  99
HIS A 112
LEU A 116
 None
 1.06A 5hrqH-5btxA:
undetectable
5hrqK-5btxA:
undetectable
5hrqL-5btxA:
undetectable		 5hrqH-5btxA:
13.56
5hrqK-5btxA:
12.50
5hrqL-5btxA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis) 		PF00067
(p450) 		4 HIS A 283
CYH A 306
HIS A 340
LEU A  61
 HEM  A 401 ( 3.7A)
None
HEM  A 401 (-3.8A)
None
 1.44A 5hrqH-5ex8A:
undetectable
5hrqK-5ex8A:
undetectable
5hrqL-5ex8A:
undetectable		 5hrqH-5ex8A:
5.71
5hrqK-5ex8A:
4.30
5hrqL-5ex8A:
5.71
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.
5i8g CREB-BINDING PROTEIN

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902) 		4 VAL A1295
CYH A1308
CYH A1283
HIS A1291
 None
ZN  A1402 (-2.3A)
ZN  A1402 (-2.3A)
ZN  A1401 (-3.1A)
 1.38A 5hrqH-5i8gA:
undetectable
5hrqK-5i8gA:
undetectable
5hrqL-5i8gA:
undetectable		 5hrqH-5i8gA:
6.04
5hrqK-5i8gA:
7.81
5hrqL-5i8gA:
6.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ie6 ZEARALENONE
HYDROLASE

(Clonostachys
rosea) 		PF00561
(Abhydrolase_1) 		4 VAL A 212
HIS A 125
CYH A 124
HIS A 242
 None
None
None
ZHB  A 300 (-3.9A)
 1.48A 5hrqH-5ie6A:
undetectable
5hrqK-5ie6A:
undetectable
5hrqL-5ie6A:
undetectable		 5hrqH-5ie6A:
7.60
5hrqK-5ie6A:
7.04
5hrqL-5ie6A:
7.60
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.
5it9 RIBOSOMAL PROTEIN
ES10

(Kluyveromyces
lactis) 		PF03501
(S10_plectin) 		4 VAL K  42
HIS K  32
HIS K  14
LEU K  15
 None
 1.50A 5hrqH-5it9K:
undetectable
5hrqK-5it9K:
undetectable
5hrqL-5it9K:
undetectable		 5hrqH-5it9K:
15.56
5hrqK-5it9K:
14.81
5hrqL-5it9K:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		4 VAL I 243
HIS I 244
HIS I 302
LEU I 160
 None
 1.47A 5hrqH-5jy7I:
undetectable
5hrqK-5jy7I:
undetectable
5hrqL-5jy7I:
undetectable		 5hrqH-5jy7I:
6.51
5hrqK-5jy7I:
4.09
5hrqL-5jy7I:
6.51
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		4 VAL B 431
HIS B 451
CYH B 397
LEU B 414
 None
 1.17A 5hrqH-5l3xB:
undetectable
5hrqK-5l3xB:
undetectable
5hrqL-5l3xB:
undetectable		 5hrqH-5l3xB:
6.79
5hrqK-5l3xB:
4.69
5hrqL-5l3xB:
6.79
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.
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		4 VAL A1259
CYH A1272
CYH A1247
HIS A1255
 None
ZN  A1702 (-2.3A)
ZN  A1702 (-2.3A)
ZN  A1703 (-3.1A)
 1.43A 5hrqH-5lkzA:
undetectable
5hrqK-5lkzA:
undetectable
5hrqL-5lkzA:
undetectable		 5hrqH-5lkzA:
5.19
5hrqK-5lkzA:
5.82
5hrqL-5lkzA:
5.19
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.
5mpg HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN A1

(Homo sapiens) 		PF00076
(RRM_1) 		4 VAL A  84
HIS A  77
HIS A  33
LEU A  30
 None
 0.87A 5hrqH-5mpgA:
undetectable
5hrqK-5mpgA:
undetectable
5hrqL-5mpgA:
undetectable		 5hrqH-5mpgA:
15.91
5hrqK-5mpgA:
8.25
5hrqL-5mpgA:
15.91
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 VAL A 208
HIS A 207
HIS A 230
LEU A 227
 None
 1.08A 5hrqH-5w4cA:
undetectable
5hrqK-5w4cA:
undetectable
5hrqL-5w4cA:
undetectable		 5hrqH-5w4cA:
undetectable
5hrqK-5w4cA:
undetectable
5hrqL-5w4cA:
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.
5wlf PROTEIN PARTNER OF
SNF, ISOFORM A

(Drosophila
melanogaster) 		PF00628
(PHD) 		4 VAL A 939
CYH A 958
CYH A 927
HIS A 935
 None
ZN  A1002 (-2.3A)
ZN  A1002 (-2.3A)
ZN  A1003 (-3.2A)
 1.46A 5hrqH-5wlfA:
undetectable
5hrqK-5wlfA:
undetectable
5hrqL-5wlfA:
undetectable		 5hrqH-5wlfA:
17.54
5hrqK-5wlfA:
16.36
5hrqL-5wlfA:
17.54
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.
6bt3 V5 FAB HEAVY-CHAIN

(Mus musculus) 		no annotation 4 VAL B 190
CYH B 204
CYH B 150
LEU B 162
 None
 1.49A 5hrqH-6bt3B:
undetectable
5hrqK-6bt3B:
undetectable
5hrqL-6bt3B:
undetectable		 5hrqH-6bt3B:
undetectable
5hrqK-6bt3B:
undetectable
5hrqL-6bt3B:
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 4 VAL C  70
CYH C 118
HIS C 156
LEU C 157
 None
 1.34A 5hrqH-6fkxC:
undetectable
5hrqK-6fkxC:
undetectable
5hrqL-6fkxC:
undetectable		 5hrqH-6fkxC:
undetectable
5hrqK-6fkxC:
undetectable
5hrqL-6fkxC:
undetectable