SIMILAR PATTERNS OF AMINO ACIDS FOR 3CR5_X_PNTX94

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.
1byw PROTEIN (HUMAN ERG
POTASSIUM CHANNEL)

(Homo sapiens) 		PF13426
(PAS_9) 		3 PHE A  48
CYH A  52
PHE A 106
 None
 1.07A 3cr5X-1bywA:
undetectable		 3cr5X-1bywA:
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.
1c72 PROTEIN (GLUTATHIONE
S-TRANSFERASE)

(Gallus gallus) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 PHE A 110
CYH A 114
PHE A 119
 None
 1.15A 3cr5X-1c72A:
0.0		 3cr5X-1c72A:
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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		3 PHE A 233
CYH A 217
PHE A 219
 None
 0.82A 3cr5X-1dmwA:
0.6		 3cr5X-1dmwA:
14.98
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.
1e50 CORE-BINDING FACTOR
CBF-BETA

(Homo sapiens) 		PF02312
(CBF_beta) 		3 PHE B  44
CYH B  48
PHE B  68
 None
 0.70A 3cr5X-1e50B:
undetectable		 3cr5X-1e50B:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		3 PHE A  69
CYH A  73
PHE A  12
 None
 1.06A 3cr5X-1fiuA:
0.0		 3cr5X-1fiuA:
18.80
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		3 PHE A 166
CYH A 170
PHE A 174
 None
 1.09A 3cr5X-1hxjA:
undetectable		 3cr5X-1hxjA:
11.41
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		3 PHE A 386
CYH A 275
PHE A 333
 None
 1.02A 3cr5X-1jv1A:
undetectable		 3cr5X-1jv1A:
11.82
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		3 PHE A 386
CYH A 275
PHE A 337
 None
 1.09A 3cr5X-1jv1A:
undetectable		 3cr5X-1jv1A:
11.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mho S-100 PROTEIN

(Bos taurus) 		PF00036
(EF-hand_1)
PF01023
(S_100) 		3 PHE A  43
CYH A  84
PHE A  88
 None
 1.01A 3cr5X-1mhoA:
18.4		 3cr5X-1mhoA:
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 PHE A 197
CYH A 201
PHE A 204
 None
 0.84A 3cr5X-1ortA:
0.0		 3cr5X-1ortA:
15.24
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 PHE A 809
CYH A 881
PHE A 879
 None
 1.09A 3cr5X-1p2zA:
undetectable		 3cr5X-1p2zA:
6.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		3 PHE A 233
CYH A 217
PHE A 219
 None
 0.88A 3cr5X-1phzA:
0.5		 3cr5X-1phzA:
13.39
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.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		3 PHE A 120
CYH A 179
PHE A 181
 None
 1.13A 3cr5X-1qbgA:
undetectable		 3cr5X-1qbgA:
18.26
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		3 PHE A  90
CYH A  94
PHE A  99
 None
 1.07A 3cr5X-1qwgA:
undetectable		 3cr5X-1qwgA:
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.
1sv0 ETS DNA-BINDING
PROTEIN POKKURI

(Drosophila
melanogaster) 		PF02198
(SAM_PNT) 		3 PHE A  62
CYH A  66
PHE A  70
 None
 1.03A 3cr5X-1sv0A:
undetectable		 3cr5X-1sv0A:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrp CREATINE KINASE, M
CHAIN

(Tetronarce
californica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 PHE A  51
CYH A  81
PHE A  89
 None
 1.08A 3cr5X-1vrpA:
undetectable		 3cr5X-1vrpA:
14.94
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.
1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A

(Homo sapiens) 		PF03770
(IPK) 		3 PHE A 330
CYH A 263
PHE A 402
 None
 0.91A 3cr5X-1w2dA:
undetectable		 3cr5X-1w2dA:
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.
1z9l VESICLE-ASSOCIATED
MEMBRANE
PROTEIN-ASSOCIATED
PROTEIN A

(Rattus
norvegicus) 		PF00635
(Motile_Sperm) 		3 PHE A  88
CYH A 121
PHE A  18
 None
 0.86A 3cr5X-1z9lA:
undetectable		 3cr5X-1z9lA:
18.75
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.
1zd1 SULFOTRANSFERASE 4A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 PHE A 265
CYH A 162
PHE A 158
 None
 1.09A 3cr5X-1zd1A:
0.0		 3cr5X-1zd1A:
14.98
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.
2d86 VAV-3 PROTEIN

(Homo sapiens) 		PF11971
(CAMSAP_CH) 		3 PHE A  85
CYH A  89
PHE A  93
 None
 0.92A 3cr5X-2d86A:
1.1		 3cr5X-2d86A:
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.
2ebz REGULATOR OF
G-PROTEIN SIGNALING
12

(Homo sapiens) 		PF00615
(RGS) 		3 PHE A  47
CYH A  51
PHE A 106
 None
 1.06A 3cr5X-2ebzA:
0.0		 3cr5X-2ebzA:
21.43
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.
2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Escherichia
coli) 		PF01259
(SAICAR_synt) 		3 PHE A 180
CYH A  91
PHE A 118
 None
 1.14A 3cr5X-2gqsA:
undetectable		 3cr5X-2gqsA:
16.94
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.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima) 		PF01174
(SNO) 		3 PHE D 169
CYH D 167
PHE D  75
 None
 1.08A 3cr5X-2issD:
undetectable		 3cr5X-2issD:
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		3 PHE A 206
CYH A 221
PHE A 222
 None
 0.88A 3cr5X-2j3hA:
undetectable		 3cr5X-2j3hA:
12.17
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.
2jvw UNCHARACTERIZED
PROTEIN

(Aliivibrio
fischeri) 		PF09905
(VF530) 		3 PHE A  54
CYH A  41
PHE A  42
 None
 1.09A 3cr5X-2jvwA:
undetectable		 3cr5X-2jvwA:
16.83
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 PHE A 774
CYH A 846
PHE A 844
 None
 1.09A 3cr5X-2obeA:
undetectable		 3cr5X-2obeA:
5.91
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.
2p87 PRE-MRNA-SPLICING
FACTOR PRP8

(Caenorhabditis
elegans) 		PF01398
(JAB)
PF08084
(PROCT) 		3 PHE A2107
CYH A2209
PHE A2211
 None
 0.99A 3cr5X-2p87A:
undetectable		 3cr5X-2p87A:
16.36
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		3 PHE A 346
CYH A 187
PHE A 191
 None
 0.58A 3cr5X-2qyoA:
undetectable		 3cr5X-2qyoA:
15.55
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.
2uye REGULATORY PROTEIN

(Burkholderia
cepacia) 		PF03466
(LysR_substrate) 		3 PHE A 249
CYH A 253
PHE A 257
 SCN  A1305 (-4.8A)
SCN  A1305 ( 4.1A)
None
 1.13A 3cr5X-2uyeA:
undetectable		 3cr5X-2uyeA:
14.01
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.
2wrt GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME 51

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 PHE A 106
CYH A 110
PHE A 115
 None
 0.80A 3cr5X-2wrtA:
undetectable		 3cr5X-2wrtA:
17.84
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.
2yof THYMIDYLATE KINASE

(Plasmodium
falciparum) 		PF02223
(Thymidylate_kin) 		3 PHE A  44
CYH A  97
PHE A  10
 ACT  A1211 (-4.2A)
None
None
 0.71A 3cr5X-2yofA:
undetectable		 3cr5X-2yofA:
18.10
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.
2z5b UNCHARACTERIZED
PROTEIN YLR021W

(Saccharomyces
cerevisiae) 		PF10448
(POC3_POC4) 		3 PHE B 168
CYH B 172
PHE B   6
 None
 1.07A 3cr5X-2z5bB:
undetectable		 3cr5X-2z5bB:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		3 PHE A 667
CYH A 712
PHE A 713
 None
 1.14A 3cr5X-3ebbA:
undetectable		 3cr5X-3ebbA:
13.82
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		3 PHE A 171
CYH A 176
PHE A 158
 GOL  A 360 (-4.9A)
None
None
 1.03A 3cr5X-3f0hA:
undetectable		 3cr5X-3f0hA:
14.21
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		3 PHE A 122
CYH A 126
PHE A 139
 None
 0.93A 3cr5X-3g5lA:
undetectable		 3cr5X-3g5lA:
18.11
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 3 PHE A 179
CYH A 183
PHE A 152
 None
 1.12A 3cr5X-3gjyA:
undetectable		 3cr5X-3gjyA:
14.19
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.
3hlm ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Mus musculus) 		PF00155
(Aminotran_1_2) 		3 PHE A 241
CYH A 274
PHE A 291
 None
 1.14A 3cr5X-3hlmA:
0.1		 3cr5X-3hlmA:
13.16
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 3 PHE A   9
CYH A 273
PHE A 125
 None
 1.04A 3cr5X-3hwpA:
undetectable		 3cr5X-3hwpA:
11.63
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.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		3 PHE D 359
CYH D 363
PHE D 376
 None
 0.86A 3cr5X-3k8pD:
undetectable		 3cr5X-3k8pD:
8.36
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.
3ky9 PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00130
(C1_1)
PF00169
(PH)
PF00621
(RhoGEF)
PF11971
(CAMSAP_CH) 		3 PHE A  78
CYH A  82
PHE A  86
 None
 1.06A 3cr5X-3ky9A:
1.1		 3cr5X-3ky9A:
10.63
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		3 PHE A  82
CYH A  68
PHE A  56
 None
 1.03A 3cr5X-3l7gA:
undetectable		 3cr5X-3l7gA:
11.48
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.
3lqn CBS DOMAIN PROTEIN

(Bacillus
anthracis) 		PF00571
(CBS) 		3 PHE A 115
CYH A 117
PHE A 125
 None
 1.15A 3cr5X-3lqnA:
undetectable		 3cr5X-3lqnA:
23.81
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 3 PHE B 657
CYH B 709
PHE B 722
 None
 1.08A 3cr5X-3nr8B:
undetectable		 3cr5X-3nr8B:
14.15
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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		3 PHE A  56
CYH A  33
PHE A  52
 None
 1.09A 3cr5X-3pe7A:
undetectable		 3cr5X-3pe7A:
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.
3rgh FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		3 PHE A 243
CYH A 165
PHE A 181
 None
 1.13A 3cr5X-3rghA:
undetectable		 3cr5X-3rghA:
15.38
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		3 PHE A  82
CYH A  68
PHE A  56
 None
 1.11A 3cr5X-3rvaA:
undetectable		 3cr5X-3rvaA:
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		3 PHE B 187
CYH B 195
PHE B 199
 None
 0.69A 3cr5X-3t5vB:
undetectable		 3cr5X-3t5vB:
9.98
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		3 PHE A 221
CYH A 237
PHE A 240
 None
 0.78A 3cr5X-3uveA:
undetectable		 3cr5X-3uveA:
14.55
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.
3vp5 TRANSCRIPTIONAL
REGULATOR

(Lactococcus
lactis) 		PF00440
(TetR_N) 		3 PHE A  53
CYH A  21
PHE A  25
 None
 1.05A 3cr5X-3vp5A:
2.0		 3cr5X-3vp5A:
18.28
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 PHE A 754
CYH A 825
PHE A 823
 None
 1.09A 3cr5X-3zifA:
undetectable		 3cr5X-3zifA:
6.70
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 PHE A1270
CYH A1273
PHE A1277
 None
 1.06A 3cr5X-3zyvA:
undetectable		 3cr5X-3zyvA:
5.67
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		3 PHE A 199
CYH A 268
PHE A 269
 None
 0.92A 3cr5X-4a69A:
undetectable		 3cr5X-4a69A:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7p UDP-GLUCOSE
DEHYDROGENASE

(Sphingomonas
elodea) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		3 PHE A 162
CYH A  18
PHE A  22
 None
 1.04A 3cr5X-4a7pA:
undetectable		 3cr5X-4a7pA:
11.93
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		3 PHE A 436
CYH A 440
PHE A 444
 None
 0.99A 3cr5X-4b0sA:
undetectable		 3cr5X-4b0sA:
10.47
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.
4b3k BETA-GLUCOSIDASE

(Streptococcus
pyogenes) 		PF00232
(Glyco_hydro_1) 		3 PHE A 145
CYH A 149
PHE A 153
 None
 1.15A 3cr5X-4b3kA:
undetectable		 3cr5X-4b3kA:
10.90
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 PHE A 761
CYH A 765
PHE A 719
 None
 1.14A 3cr5X-4crsA:
undetectable		 3cr5X-4crsA:
14.42
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.
4d0k A-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Chaetomium
thermophilum) 		no annotation 3 PHE A  49
CYH A  47
PHE A  41
 None
 1.06A 3cr5X-4d0kA:
undetectable		 3cr5X-4d0kA:
11.16
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.
4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2

(Homo sapiens) 		PF00856
(SET) 		3 PHE A1454
CYH A1623
PHE A1626
 None
None
0UM  A1804 (-4.7A)
 0.95A 3cr5X-4fmuA:
undetectable		 3cr5X-4fmuA:
19.10
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		3 PHE A 355
CYH A 416
PHE A 375
 None
 1.00A 3cr5X-4fnmA:
1.6		 3cr5X-4fnmA:
10.04
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.
4fzw 1,2-EPOXYPHENYLACETY
L-COA ISOMERASE

(Escherichia
coli) 		PF00378
(ECH_1) 		3 PHE C  27
CYH C  61
PHE C  60
 None
 1.14A 3cr5X-4fzwC:
undetectable		 3cr5X-4fzwC:
13.87
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.
4gbj 6-PHOSPHOGLUCONATE
DEHYDROGENASE
NAD-BINDING

(Dyadobacter
fermentans) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		3 PHE A 121
CYH A 135
PHE A 160
 None
 1.10A 3cr5X-4gbjA:
undetectable		 3cr5X-4gbjA:
15.15
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.
4igo OS05G0196500 PROTEIN

(Oryza sativa) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 PHE A 157
CYH A 184
PHE A 477
 None
 0.97A 3cr5X-4igoA:
undetectable		 3cr5X-4igoA:
14.58
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		3 PHE A 377
CYH A 415
PHE A 353
 OLA  A 610 ( 4.2A)
OLA  A 609 ( 4.4A)
None
 0.96A 3cr5X-4ikvA:
undetectable		 3cr5X-4ikvA:
9.86
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.
4m38 PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Trypanosoma
brucei) 		PF06325
(PrmA) 		3 PHE A 362
CYH A 360
PHE A 287
 None
 0.89A 3cr5X-4m38A:
undetectable		 3cr5X-4m38A:
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.
4m46 LUCIFERASE

(Lampyris
turkestanicus) 		PF00501
(AMP-binding) 		3 PHE A  57
CYH A  61
PHE A  97
 None
 0.73A 3cr5X-4m46A:
undetectable		 3cr5X-4m46A:
10.81
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.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		3 PHE A  82
CYH A  68
PHE A  56
 None
 1.01A 3cr5X-4qr8A:
undetectable		 3cr5X-4qr8A:
12.09
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		3 PHE A 206
CYH A 263
PHE A 215
 None
 1.15A 3cr5X-4rfqA:
undetectable		 3cr5X-4rfqA:
16.37
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		3 PHE A 206
CYH A 263
PHE A 265
 None
 1.06A 3cr5X-4rfqA:
undetectable		 3cr5X-4rfqA:
16.37
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 PHE A 210
CYH A 214
PHE A 168
 None
 1.09A 3cr5X-4rpfA:
undetectable		 3cr5X-4rpfA:
15.49
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		3 PHE B 187
CYH B 195
PHE B 199
 None
 0.74A 3cr5X-4trqB:
undetectable		 3cr5X-4trqB:
13.48
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		3 PHE A 206
CYH A 148
PHE A 185
 None
 1.09A 3cr5X-4uvkA:
0.3		 3cr5X-4uvkA:
8.10
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.
4wcz ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		3 PHE A  25
CYH A  60
PHE A  59
 None
 0.98A 3cr5X-4wczA:
undetectable		 3cr5X-4wczA:
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.
4wh0 PUTATIVE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00857
(Isochorismatase) 		3 PHE A 166
CYH A 170
PHE A 183
 None
 1.02A 3cr5X-4wh0A:
undetectable		 3cr5X-4wh0A:
18.93
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.
4wvm STONUSTOXIN SUBUNIT
BETA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		3 PHE B 307
CYH B 311
PHE B 351
 None
 1.01A 3cr5X-4wvmB:
undetectable		 3cr5X-4wvmB:
7.52
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		3 PHE A 369
CYH A 365
PHE A 200
 None
 1.13A 3cr5X-4zk3A:
undetectable		 3cr5X-4zk3A:
14.36
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.
4zqd ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00989
(PAS)
PF08447
(PAS_3) 		3 PHE B 244
CYH B 257
PHE B 254
 0X3  B 401 (-4.3A)
0X3  B 401 ( 4.8A)
0X3  B 401 (-4.4A)
 1.10A 3cr5X-4zqdB:
undetectable		 3cr5X-4zqdB:
14.37
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.
4zwo ORGANOPHOSPHATE
ANHYDROLASE/PROLIDAS
E

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		3 PHE A  82
CYH A  68
PHE A  56
 None
 1.04A 3cr5X-4zwoA:
undetectable		 3cr5X-4zwoA:
11.48
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.
5eku ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		PF06325
(PrmA) 		3 PHE A 362
CYH A 360
PHE A 287
 None
 0.96A 3cr5X-5ekuA:
undetectable		 3cr5X-5ekuA:
13.47
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 PHE A1274
CYH A1277
PHE A1281
 None
 0.96A 3cr5X-5epgA:
undetectable		 3cr5X-5epgA:
5.50
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.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		3 PHE A 195
CYH A  85
PHE A  87
 MET  A 404 ( 4.4A)
SF4  A 402 ( 2.3A)
SF4  A 402 ( 4.6A)
 1.08A 3cr5X-5exkA:
undetectable		 3cr5X-5exkA:
14.69
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		3 PHE A  17
CYH A  44
PHE A 597
 None
 0.99A 3cr5X-5fwjA:
undetectable		 3cr5X-5fwjA:
11.67
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.
5gan SPLICEOSOMAL PROTEIN
DIB1

(Saccharomyces
cerevisiae) 		PF02966
(DIM1) 		3 PHE D  84
CYH D  93
PHE D  95
 None
 1.12A 3cr5X-5ganD:
undetectable		 3cr5X-5ganD:
19.29
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.
5h5m ALPHA-CATENIN-LIKE
PROTEIN HMP-1

(Caenorhabditis
elegans) 		PF01044
(Vinculin) 		3 PHE A 620
CYH A 624
PHE A 590
 None
 1.15A 3cr5X-5h5mA:
undetectable		 3cr5X-5h5mA:
13.68
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 3 PHE B 463
CYH B 467
PHE B  38
 None
 1.13A 3cr5X-5i61B:
undetectable		 3cr5X-5i61B:
11.23
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 PHE A  45
CYH A  49
PHE A  58
 PEG  A 703 ( 3.6A)
None
None
 0.85A 3cr5X-5i67A:
undetectable		 3cr5X-5i67A:
9.89
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.
5j9t ENHANCER OF
POLYCOMB-LIKE
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 PHE G 189
CYH G 193
PHE G 196
 None
 1.00A 3cr5X-5j9tG:
undetectable		 3cr5X-5j9tG:
14.93
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.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		3 PHE A 172
CYH A 174
PHE A 206
 None
 1.14A 3cr5X-5kreA:
undetectable		 3cr5X-5kreA:
16.53
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		3 PHE B 578
CYH B 582
PHE B 586
 None
None
CL  B 601 ( 4.8A)
 0.96A 3cr5X-5l3xB:
undetectable		 3cr5X-5l3xB:
14.61
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 PHE A 793
CYH A 865
PHE A 863
 None
 1.05A 3cr5X-5ldnA:
undetectable		 3cr5X-5ldnA:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 3 PHE A 267
CYH A 332
PHE A 318
 None
 1.14A 3cr5X-5no8A:
undetectable		 3cr5X-5no8A:
9.39
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 PHE W 213
CYH W 246
PHE W 249
 None
 1.11A 3cr5X-5o9gW:
undetectable		 3cr5X-5o9gW:
5.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		3 PHE A  22
CYH A  49
PHE A 566
 None
 0.98A 3cr5X-5v9pA:
undetectable		 3cr5X-5v9pA:
7.03
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 3 PHE A 897
CYH A 901
PHE A 954
 None
 1.10A 3cr5X-5xgjA:
undetectable		 3cr5X-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.
5xyi RIBOSOMAL PROTEIN
S3AE, PUTATIVE

(Trichomonas
vaginalis) 		PF01015
(Ribosomal_S3Ae) 		3 PHE B  96
CYH B 181
PHE B 184
 None
 1.10A 3cr5X-5xyiB:
undetectable		 3cr5X-5xyiB:
13.77
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 3 PHE A 490
CYH A 447
PHE A 449
 None
 0.91A 3cr5X-5ydjA:
1.8		 3cr5X-5ydjA:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 3 PHE A  59
CYH A  86
PHE A 392
 None
 1.05A 3cr5X-5yknA:
undetectable		 3cr5X-5yknA:
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.
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG

(Homo sapiens) 		no annotation 3 PHE A 255
CYH A 259
PHE A 239
 None
 1.06A 3cr5X-6au8A:
undetectable		 3cr5X-6au8A:
17.79
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 3 PHE A  22
CYH A  49
PHE A 566
 None
 1.09A 3cr5X-6bgzA:
undetectable		 3cr5X-6bgzA:
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.
6c0t CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 3 PHE A 463
CYH A 467
PHE A 420
 None
 1.12A 3cr5X-6c0tA:
undetectable		 3cr5X-6c0tA:
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 3 PHE A  35
CYH A  62
PHE A 582
 None
 1.02A 3cr5X-6ek6A:
undetectable		 3cr5X-6ek6A:
undetectable