SIMILAR PATTERNS OF AMINO ACIDS FOR 4CX7_C_H4BC600_1

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.
1bwy PROTEIN (HEART FATTY
ACID BINDING
PROTEIN)

(Bos taurus) 		PF00061
(Lipocalin) 		4 ARG A 106
ILE A  50
PHE A  64
GLU A  72
 None
 1.22A 4cx7C-1bwyA:
0.0
4cx7D-1bwyA:
0.0		 4cx7C-1bwyA:
16.24
4cx7D-1bwyA:
16.24
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 SER A 885
ILE A 919
PHE A 922
GLU A 887
 None
 1.07A 4cx7C-1h0hA:
0.0
4cx7D-1h0hA:
0.0		 4cx7C-1h0hA:
17.64
4cx7D-1h0hA:
17.64
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.
1hra RETINOIC ACID
RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 MET A  73
ARG A  59
ILE A  36
PHE A  31
 None
ZN  A  81 ( 4.9A)
None
None
 1.19A 4cx7C-1hraA:
undetectable
4cx7D-1hraA:
undetectable		 4cx7C-1hraA:
9.79
4cx7D-1hraA:
9.79
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER L 236
ARG L 500
PHE L 502
GLU L 339
 None
 0.72A 4cx7C-1kfuL:
undetectable
4cx7D-1kfuL:
0.0		 4cx7C-1kfuL:
20.06
4cx7D-1kfuL:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 SER A 334
MET A 336
ARG A 596
TRP A 678
 None
H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 ( 3.6A)
 0.63A 4cx7C-1lzxA:
55.8
4cx7D-1lzxA:
13.2		 4cx7C-1lzxA:
65.71
4cx7D-1lzxA:
65.71
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 1.04A 4cx7C-1nsaA:
0.0
4cx7D-1nsaA:
undetectable		 4cx7C-1nsaA:
23.04
4cx7D-1nsaA:
23.04
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.
1ogp SULFITE OXIDASE

(Arabidopsis
thaliana) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 SER A 120
ILE A 122
PHE A  48
GLU A  31
 None
None
MTQ  A1394 (-4.7A)
None
 1.22A 4cx7C-1ogpA:
0.0
4cx7D-1ogpA:
0.0		 4cx7C-1ogpA:
21.77
4cx7D-1ogpA:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		5 SER A 112
MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.8A)
H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.49A 4cx7C-1qw5A:
58.8
4cx7D-1qw5A:
14.5		 4cx7C-1qw5A:
85.51
4cx7D-1qw5A:
85.51
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 SER A 236
ARG A 501
PHE A 503
GLU A 339
 None
 1.20A 4cx7C-1qxpA:
0.0
4cx7D-1qxpA:
0.0		 4cx7C-1qxpA:
19.31
4cx7D-1qxpA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhf TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Homo sapiens) 		PF07679
(I-set) 		4 SER A 146
ILE A 131
TRP A 133
GLU A 121
 None
 1.05A 4cx7C-1rhfA:
0.0
4cx7D-1rhfA:
0.0		 4cx7C-1rhfA:
18.03
4cx7D-1rhfA:
18.03
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER A  68
ILE A  69
TRP A  36
GLU A  81
 SUC  A9001 ( 2.7A)
None
None
None
 1.22A 4cx7C-1rzgA:
undetectable
4cx7D-1rzgA:
undetectable		 4cx7C-1rzgA:
20.89
4cx7D-1rzgA:
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
TRP A 110
PHE A 117
GLU A 112
 None
 1.23A 4cx7C-1t1jA:
undetectable
4cx7D-1t1jA:
undetectable		 4cx7C-1t1jA:
16.54
4cx7D-1t1jA:
16.54
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.
1tx4 P50-RHOGAP

(Homo sapiens) 		PF00620
(RhoGAP) 		4 SER A 182
MET A 190
ILE A 181
PHE A 199
 None
 1.26A 4cx7C-1tx4A:
undetectable
4cx7D-1tx4A:
undetectable		 4cx7C-1tx4A:
19.08
4cx7D-1tx4A:
19.08
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ARG A 330
ILE A 207
TRP A 205
TRP A 382
 None
 1.27A 4cx7C-1uliA:
undetectable
4cx7D-1uliA:
undetectable		 4cx7C-1uliA:
21.00
4cx7D-1uliA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 SER A 259
ARG A 303
ILE A 256
GLU A 258
 None
 1.11A 4cx7C-1vkoA:
undetectable
4cx7D-1vkoA:
undetectable		 4cx7C-1vkoA:
20.76
4cx7D-1vkoA:
20.76
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.27A 4cx7C-1w1kA:
undetectable
4cx7D-1w1kA:
undetectable		 4cx7C-1w1kA:
21.72
4cx7D-1w1kA:
21.72
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ARG A  35
ILE A  18
TRP A  15
GLU A  16
 None
 0.98A 4cx7C-1zliA:
undetectable
4cx7D-1zliA:
undetectable		 4cx7C-1zliA:
21.57
4cx7D-1zliA:
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		4 SER B 285
ILE B 314
PHE B 261
GLU B 311
 None
 1.09A 4cx7C-1zunB:
undetectable
4cx7D-1zunB:
undetectable		 4cx7C-1zunB:
22.62
4cx7D-1zunB:
22.62
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.
2arh HYPOTHETICAL PROTEIN
AQ_1966

(Aquifex
aeolicus) 		PF06557
(DUF1122) 		4 SER A  17
ILE A  22
PHE A  77
GLU A  81
 None
 1.24A 4cx7C-2arhA:
undetectable
4cx7D-2arhA:
undetectable		 4cx7C-2arhA:
17.26
4cx7D-2arhA:
17.26
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 378
ILE A 379
TRP A 376
GLU A 374
 None
 1.23A 4cx7C-2b24A:
undetectable
4cx7D-2b24A:
undetectable		 4cx7C-2b24A:
22.20
4cx7D-2b24A:
22.20
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.
2g3y GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		4 SER A 193
ARG A 207
ILE A 159
PHE A 217
 None
 1.21A 4cx7C-2g3yA:
undetectable
4cx7D-2g3yA:
undetectable		 4cx7C-2g3yA:
18.78
4cx7D-2g3yA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		4 SER A 428
TRP A 129
PHE A 233
GLU A 431
 None
 1.14A 4cx7C-2glfA:
undetectable
4cx7D-2glfA:
undetectable		 4cx7C-2glfA:
21.64
4cx7D-2glfA:
21.64
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		4 SER X 211
ILE X 212
PHE X 120
GLU X 210
 None
 1.23A 4cx7C-2h7gX:
undetectable
4cx7D-2h7gX:
undetectable		 4cx7C-2h7gX:
21.25
4cx7D-2h7gX:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iai PUTATIVE
TRANSCRIPTIONAL
REGULATOR SCO3833

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 SER A 163
MET A 160
ILE A 164
TRP A 167
 None
 1.08A 4cx7C-2iaiA:
undetectable
4cx7D-2iaiA:
undetectable		 4cx7C-2iaiA:
21.14
4cx7D-2iaiA:
21.14
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 577
ILE A 510
PHE A 571
GLU A 568
 None
 1.14A 4cx7C-2iujA:
undetectable
4cx7D-2iujA:
undetectable		 4cx7C-2iujA:
20.10
4cx7D-2iujA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 577
ILE A 510
TRP A 514
GLU A 568
 None
 0.87A 4cx7C-2iujA:
undetectable
4cx7D-2iujA:
undetectable		 4cx7C-2iujA:
20.10
4cx7D-2iujA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 257
ILE A 248
TRP A 245
PHE A 240
 None
 1.08A 4cx7C-2jc6A:
undetectable
4cx7D-2jc6A:
undetectable		 4cx7C-2jc6A:
19.73
4cx7D-2jc6A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB

(Methanothermobacter
thermautotrophicus) 		PF01641
(SelR) 		4 ARG A  66
ILE A  24
TRP A  31
GLU A  30
 None
 1.19A 4cx7C-2k8dA:
undetectable
4cx7D-2k8dA:
undetectable		 4cx7C-2k8dA:
15.74
4cx7D-2k8dA:
15.74
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 SER A  69
ARG A  41
ILE A  52
GLU A 105
 None
 1.27A 4cx7C-2la7A:
undetectable
4cx7D-2la7A:
undetectable		 4cx7C-2la7A:
14.39
4cx7D-2la7A:
14.39
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		4 SER A 118
ILE A 121
PHE A 109
GLU A 119
 None
 1.19A 4cx7C-2qj8A:
undetectable
4cx7D-2qj8A:
undetectable		 4cx7C-2qj8A:
21.95
4cx7D-2qj8A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		4 SER A 148
ILE A 149
PHE A 414
GLU A 147
 None
 1.26A 4cx7C-2qptA:
undetectable
4cx7D-2qptA:
undetectable		 4cx7C-2qptA:
22.18
4cx7D-2qptA:
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.
2qs9 RETINOBLASTOMA-BINDI
NG PROTEIN 9

(Homo sapiens) 		PF06821
(Ser_hydrolase) 		4 SER A  53
ILE A  54
TRP A  55
GLU A  52
 None
 1.19A 4cx7C-2qs9A:
undetectable
4cx7D-2qs9A:
undetectable		 4cx7C-2qs9A:
19.54
4cx7D-2qs9A:
19.54
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		4 SER A 416
ARG A 649
ILE A 417
GLU A 406
 None
 0.95A 4cx7C-2r05A:
0.0
4cx7D-2r05A:
undetectable		 4cx7C-2r05A:
20.55
4cx7D-2r05A:
20.55
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 ARG A  25
ILE A  17
PHE A  55
GLU A  53
 None
None
None
BU2  A 196 (-3.2A)
 0.96A 4cx7C-2rfmA:
undetectable
4cx7D-2rfmA:
undetectable		 4cx7C-2rfmA:
18.94
4cx7D-2rfmA:
18.94
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		4 SER A 168
ARG A 106
ILE A  58
GLU A 136
 None
 1.17A 4cx7C-2yrfA:
undetectable
4cx7D-2yrfA:
0.7		 4cx7C-2yrfA:
20.89
4cx7D-2yrfA:
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.27A 4cx7C-2zf8A:
undetectable
4cx7D-2zf8A:
undetectable		 4cx7C-2zf8A:
18.96
4cx7D-2zf8A:
18.96
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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A  85
ARG A  98
ILE A  82
PHE A 128
 None
 1.17A 4cx7C-3au9A:
undetectable
4cx7D-3au9A:
undetectable		 4cx7C-3au9A:
21.84
4cx7D-3au9A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 SER A 275
ARG A 252
ILE A 276
PHE A 255
 None
 1.24A 4cx7C-3cp8A:
undetectable
4cx7D-3cp8A:
undetectable		 4cx7C-3cp8A:
20.49
4cx7D-3cp8A:
20.49
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.
3dfa CALCIUM-DEPENDENT
PROTEIN KINASE
CGD3_920

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 ARG A 241
ILE A 232
TRP A 229
PHE A 224
 None
 1.07A 4cx7C-3dfaA:
undetectable
4cx7D-3dfaA:
undetectable		 4cx7C-3dfaA:
21.17
4cx7D-3dfaA:
21.17
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.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A  36
TRP A  38
PHE A   6
GLU A  25
 None
 1.08A 4cx7C-3dmkA:
undetectable
4cx7D-3dmkA:
undetectable		 4cx7C-3dmkA:
20.60
4cx7D-3dmkA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 SER A 118
MET A 120
ARG A 381
ILE A 462
TRP A 463
 None
H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 (-4.9A)
H4B  A 902 ( 3.6A)
 0.53A 4cx7C-3e7gA:
19.6
4cx7D-3e7gA:
14.0		 4cx7C-3e7gA:
100.00
4cx7D-3e7gA:
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 157
ILE B 129
PHE B 164
GLU B  27
 None
None
None
FE2  B 188 ( 4.7A)
 1.19A 4cx7C-3eqqB:
undetectable
4cx7D-3eqqB:
undetectable		 4cx7C-3eqqB:
17.86
4cx7D-3eqqB:
17.86
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A  53
ARG A 374
ILE A  69
GLU A  52
 None
 1.21A 4cx7C-3fj4A:
undetectable
4cx7D-3fj4A:
0.0		 4cx7C-3fj4A:
22.50
4cx7D-3fj4A:
22.50
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ARG A 440
ILE A 391
PHE A 353
GLU A 395
 None
 1.14A 4cx7C-3g3oA:
undetectable
4cx7D-3g3oA:
undetectable		 4cx7C-3g3oA:
20.76
4cx7D-3g3oA:
20.76
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.
3gd7 FUSION COMPLEX OF
CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR, RESIDUES
1193-1427 AND
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK,
RESIDUES 219-371

(Escherichia
coli;
Homo sapiens) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		4 SER A1426
ARG A1495
ILE A1427
GLU A1429
 None
 1.02A 4cx7C-3gd7A:
undetectable
4cx7D-3gd7A:
undetectable		 4cx7C-3gd7A:
23.28
4cx7D-3gd7A:
23.28
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.
3i9k ADP-RIBOSYL CYCLASE

(Aplysia
californica) 		PF02267
(Rib_hydrolayse) 		4 SER A 162
ARG A 246
ILE A 202
GLU A 200
 None
 1.15A 4cx7C-3i9kA:
undetectable
4cx7D-3i9kA:
undetectable		 4cx7C-3i9kA:
19.91
4cx7D-3i9kA:
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.
3ied HEAT SHOCK PROTEIN

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		4 SER A 210
MET A 207
ILE A 213
GLU A 211
 None
AN2  A 401 (-3.6A)
None
None
 1.18A 4cx7C-3iedA:
undetectable
4cx7D-3iedA:
undetectable		 4cx7C-3iedA:
19.54
4cx7D-3iedA:
19.54
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		4 SER A 158
ARG A 415
ILE A  16
PHE A 398
 None
 1.15A 4cx7C-3if2A:
undetectable
4cx7D-3if2A:
undetectable		 4cx7C-3if2A:
21.29
4cx7D-3if2A:
21.29
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A 310
ILE A 301
TRP A 298
PHE A 293
 SRT  A 543 (-3.8A)
None
None
None
 1.01A 4cx7C-3igoA:
0.0
4cx7D-3igoA:
undetectable		 4cx7C-3igoA:
21.50
4cx7D-3igoA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Yersinia pestis) 		PF02348
(CTP_transf_3) 		4 SER A 132
ILE A 174
PHE A 137
GLU A 135
 None
 1.16A 4cx7C-3jtjA:
undetectable
4cx7D-3jtjA:
undetectable		 4cx7C-3jtjA:
17.63
4cx7D-3jtjA:
17.63
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.
3kfw UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF07848
(PaaX)
PF08223
(PaaX_C) 		4 SER X  25
ARG X 230
ILE X  28
GLU X  26
 None
 1.25A 4cx7C-3kfwX:
undetectable
4cx7D-3kfwX:
undetectable		 4cx7C-3kfwX:
19.63
4cx7D-3kfwX:
19.63
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.
3llm ATP-DEPENDENT RNA
HELICASE A

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 434
ILE A 401
PHE A 429
GLU A 394
 None
 1.15A 4cx7C-3llmA:
undetectable
4cx7D-3llmA:
undetectable		 4cx7C-3llmA:
22.47
4cx7D-3llmA:
22.47
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 171
ARG A 159
ILE A 207
PHE A 155
 None
 1.20A 4cx7C-3n0gA:
undetectable
4cx7D-3n0gA:
undetectable		 4cx7C-3n0gA:
22.05
4cx7D-3n0gA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 SER A 394
TRP A 391
PHE A 388
GLU A 390
 None
None
None
GOL  A 507 (-2.5A)
 1.19A 4cx7C-3n0qA:
undetectable
4cx7D-3n0qA:
undetectable		 4cx7C-3n0qA:
21.11
4cx7D-3n0qA:
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 MET B 410
ILE B 407
TRP B 406
TRP B 187
 None
 1.23A 4cx7C-3n2zB:
undetectable
4cx7D-3n2zB:
undetectable		 4cx7C-3n2zB:
21.06
4cx7D-3n2zB:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qr2 BASIGIN

(Homo sapiens) 		PF13927
(Ig_3) 		4 ILE A  33
TRP A  35
PHE A   4
GLU A  24
 None
 1.25A 4cx7C-3qr2A:
undetectable
4cx7D-3qr2A:
undetectable		 4cx7C-3qr2A:
15.31
4cx7D-3qr2A:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ARG A 397
ILE A 467
TRP A 464
GLU A 465
 None
 1.12A 4cx7C-3rblA:
undetectable
4cx7D-3rblA:
undetectable		 4cx7C-3rblA:
21.46
4cx7D-3rblA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		4 SER A 226
TRP A 185
PHE A 214
GLU A 225
 None
 1.27A 4cx7C-3t5tA:
undetectable
4cx7D-3t5tA:
undetectable		 4cx7C-3t5tA:
20.99
4cx7D-3t5tA:
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.
3tzw POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		PF00698
(Acyl_transf_1) 		4 SER A 656
ARG A 668
ILE A 661
GLU A 652
 None
 1.27A 4cx7C-3tzwA:
undetectable
4cx7D-3tzwA:
undetectable		 4cx7C-3tzwA:
23.02
4cx7D-3tzwA:
23.02
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.
3u6r ANTIBODY 1:7 (HEAVY
CHAIN)

(Homo sapiens) 		no annotation 4 SER H  72
ILE H  73
TRP H  39
GLU H  85
 None
 1.25A 4cx7C-3u6rH:
undetectable
4cx7D-3u6rH:
undetectable		 4cx7C-3u6rH:
14.49
4cx7D-3u6rH:
14.49
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 SER A 218
TRP A 217
PHE A 136
GLU A 219
 HY0  A 401 (-3.5A)
None
None
HY0  A 401 (-4.0A)
 1.17A 4cx7C-3w0sA:
undetectable
4cx7D-3w0sA:
undetectable		 4cx7C-3w0sA:
21.70
4cx7D-3w0sA:
21.70
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 ILE A 269
TRP A 190
PHE A 259
GLU A 179
 None
 1.24A 4cx7C-4be3A:
undetectable
4cx7D-4be3A:
undetectable		 4cx7C-4be3A:
21.10
4cx7D-4be3A:
21.10
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.
4ce4 MRPL44

(Sus scrofa) 		no annotation 4 SER h 131
ARG h 192
PHE h 196
GLU h 127
 None
 1.23A 4cx7C-4ce4h:
undetectable
4cx7D-4ce4h:
undetectable		 4cx7C-4ce4h:
21.44
4cx7D-4ce4h:
21.44
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE

(Bacillus
anthracis) 		no annotation 4 SER B 234
ARG B 170
ILE B 237
TRP B 236
 None
 1.21A 4cx7C-4fetB:
undetectable
4cx7D-4fetB:
undetectable		 4cx7C-4fetB:
19.35
4cx7D-4fetB:
19.35
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 254
ILE A 245
TRP A 242
PHE A 237
 None
 1.11A 4cx7C-4fg8A:
undetectable
4cx7D-4fg8A:
undetectable		 4cx7C-4fg8A:
22.49
4cx7D-4fg8A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hts SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC

(Aquifex
aeolicus) 		PF00902
(TatC) 		4 SER A 107
ILE A 168
TRP A  85
PHE A  84
 None
 1.22A 4cx7C-4htsA:
undetectable
4cx7D-4htsA:
0.9		 4cx7C-4htsA:
23.27
4cx7D-4htsA:
23.27
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.
4kpk ENOYL-COA
HYDRATASE/ISOMERASE

(Shewanella
pealeana) 		PF00378
(ECH_1) 		4 SER A  47
ARG A  58
ILE A  50
GLU A  48
 None
 1.18A 4cx7C-4kpkA:
undetectable
4cx7D-4kpkA:
undetectable		 4cx7C-4kpkA:
19.63
4cx7D-4kpkA:
19.63
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.
4kuj PROTEIN KINASE,
PUTATIVE

(Entamoeba
histolytica) 		PF02816
(Alpha_kinase) 		4 SER A 247
ILE A 246
TRP A 198
GLU A 269
 None
 1.17A 4cx7C-4kujA:
undetectable
4cx7D-4kujA:
undetectable		 4cx7C-4kujA:
20.97
4cx7D-4kujA:
20.97
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.
4nnz PROBABLE ZINC
PROTEASE

(Pseudomonas
aeruginosa) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 MET A 360
ARG A 269
ILE A 387
PHE A 304
 None
 1.05A 4cx7C-4nnzA:
0.0
4cx7D-4nnzA:
undetectable		 4cx7C-4nnzA:
23.35
4cx7D-4nnzA:
23.35
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
ILE A 101
PHE A 141
GLU A 162
 None
SAH  A 301 ( 4.1A)
None
None
 1.26A 4cx7C-4pneA:
undetectable
4cx7D-4pneA:
undetectable		 4cx7C-4pneA:
20.81
4cx7D-4pneA:
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.
4r4z PNGF-II

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 SER A 361
ARG A 210
ILE A 360
GLU A 192
 None
 1.22A 4cx7C-4r4zA:
undetectable
4cx7D-4r4zA:
undetectable		 4cx7C-4r4zA:
20.62
4cx7D-4r4zA:
20.62
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		4 SER A 249
MET A 252
ILE A 248
PHE A 135
 None
 1.18A 4cx7C-4rm4A:
0.0
4cx7D-4rm4A:
undetectable		 4cx7C-4rm4A:
21.41
4cx7D-4rm4A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trb PURINE
PHOSPHORIBOSYLTRANSF
ERASE (GPT-1)

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		4 ARG A 206
ILE A 200
TRP A 156
GLU A 157
 None
 1.27A 4cx7C-4trbA:
undetectable
4cx7D-4trbA:
undetectable		 4cx7C-4trbA:
18.29
4cx7D-4trbA:
18.29
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 SER A 573
ILE A 574
TRP A 570
PHE A 567
 None
 1.25A 4cx7C-4wisA:
undetectable
4cx7D-4wisA:
0.0		 4cx7C-4wisA:
18.29
4cx7D-4wisA:
18.29
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
ILE A 271
PHE A 264
GLU A 266
 None
 1.27A 4cx7C-4xj6A:
0.0
4cx7D-4xj6A:
undetectable		 4cx7C-4xj6A:
22.82
4cx7D-4xj6A:
22.82
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.
4y07 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00632
(HECT) 		4 SER A 528
ILE A 517
TRP A 563
PHE A 564
 None
 1.22A 4cx7C-4y07A:
0.0
4cx7D-4y07A:
undetectable		 4cx7C-4y07A:
22.96
4cx7D-4y07A:
22.96
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 SER A  85
ARG A  98
ILE A  82
PHE A 128
 None
 1.21A 4cx7C-4y67A:
undetectable
4cx7D-4y67A:
undetectable		 4cx7C-4y67A:
22.86
4cx7D-4y67A:
22.86
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.
4zmi TELOMERE LENGTH
REGULATOR TAZ1

(Schizosaccharomyces
pombe) 		PF08558
(TRF) 		4 SER A 171
ARG A 277
ILE A 166
GLU A 170
 None
 1.27A 4cx7C-4zmiA:
undetectable
4cx7D-4zmiA:
undetectable		 4cx7C-4zmiA:
19.55
4cx7D-4zmiA:
19.55
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.02A 4cx7C-4zxiA:
undetectable
4cx7D-4zxiA:
undetectable		 4cx7C-4zxiA:
16.19
4cx7D-4zxiA:
16.19
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.
5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 192
ILE H 193
TRP H 160
GLU H 205
 None
 0.96A 4cx7C-5fhxH:
undetectable
4cx7D-5fhxH:
undetectable		 4cx7C-5fhxH:
20.73
4cx7D-5fhxH:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 SER A 306
MET A 309
ILE A 305
PHE A 495
 None
 1.24A 4cx7C-5h2tA:
undetectable
4cx7D-5h2tA:
undetectable		 4cx7C-5h2tA:
21.97
4cx7D-5h2tA:
21.97
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 SER A  66
ILE A  67
TRP A  53
PHE A  50
 None
 1.21A 4cx7C-5hssA:
undetectable
4cx7D-5hssA:
0.0		 4cx7C-5hssA:
18.30
4cx7D-5hssA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE

(Saccharomyces
cerevisiae) 		PF04752
(ChaC) 		4 SER A  81
ARG A  38
ILE A  84
GLU A  80
 None
 1.16A 4cx7C-5hwiA:
undetectable
4cx7D-5hwiA:
undetectable		 4cx7C-5hwiA:
20.19
4cx7D-5hwiA:
20.19
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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 4 SER A 201
TRP A 239
PHE A 249
GLU A 205
 None
 1.13A 4cx7C-5iwzA:
undetectable
4cx7D-5iwzA:
undetectable		 4cx7C-5iwzA:
20.74
4cx7D-5iwzA:
20.74
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.
5k6w PROTEIN SIDEKICK-1

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A 413
TRP A 415
PHE A 384
GLU A 404
 None
 1.18A 4cx7C-5k6wA:
undetectable
4cx7D-5k6wA:
undetectable		 4cx7C-5k6wA:
21.89
4cx7D-5k6wA:
21.89
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 ARG A 225
TRP A 414
PHE A 411
GLU A 413
 None
 1.09A 4cx7C-5m8tA:
undetectable
4cx7D-5m8tA:
undetectable		 4cx7C-5m8tA:
20.32
4cx7D-5m8tA:
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.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		4 SER A 430
ILE A 282
PHE A 437
GLU A 432
 None
 1.12A 4cx7C-5mq6A:
undetectable
4cx7D-5mq6A:
undetectable		 4cx7C-5mq6A:
20.85
4cx7D-5mq6A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		4 SER A 641
ILE A 642
TRP A 511
PHE A  50
 None
 1.23A 4cx7C-5mqoA:
undetectable
4cx7D-5mqoA:
undetectable		 4cx7C-5mqoA:
20.96
4cx7D-5mqoA:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 ILE A 232
TRP A 251
PHE A 247
GLU A 227
 None
 1.07A 4cx7C-5nqdA:
undetectable
4cx7D-5nqdA:
undetectable		 4cx7C-5nqdA:
10.00
4cx7D-5nqdA:
10.00
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.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 SER A 301
MET A 303
ARG A 380
TRP A 306
 None
 1.19A 4cx7C-5nx2A:
undetectable
4cx7D-5nx2A:
0.4		 4cx7C-5nx2A:
21.04
4cx7D-5nx2A:
21.04
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 MET A  23
ILE A 102
PHE A  28
GLU A  26
 None
 1.21A 4cx7C-5t3uA:
undetectable
4cx7D-5t3uA:
undetectable		 4cx7C-5t3uA:
17.52
4cx7D-5t3uA:
17.52
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		4 SER A 528
ILE A 517
TRP A 563
PHE A 564
 None
 1.26A 4cx7C-5tj7A:
undetectable
4cx7D-5tj7A:
undetectable		 4cx7C-5tj7A:
21.56
4cx7D-5tj7A:
21.56
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 SER A 350
TRP A 346
PHE A 343
GLU A 349
 None
 1.26A 4cx7C-5tulA:
undetectable
4cx7D-5tulA:
undetectable		 4cx7C-5tulA:
21.58
4cx7D-5tulA:
21.58
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		4 SER A 273
ARG A 283
ILE A 272
GLU A 275
 None
 1.22A 4cx7C-5vslA:
undetectable
4cx7D-5vslA:
undetectable		 4cx7C-5vslA:
22.22
4cx7D-5vslA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 ILE A  30
TRP A  27
PHE A  63
GLU A  28
 None
 1.12A 4cx7C-5x3hA:
undetectable
4cx7D-5x3hA:
undetectable		 4cx7C-5x3hA:
22.06
4cx7D-5x3hA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2p -

(-) 		no annotation 4 ARG A  30
ILE A 236
PHE A 264
GLU A 262
 None
 1.16A 4cx7C-5y2pA:
undetectable
4cx7D-5y2pA:
undetectable		 4cx7C-5y2pA:
undetectable
4cx7D-5y2pA:
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 4 ILE A   3
TRP A  87
PHE A 145
GLU A  85
 None
 0.81A 4cx7C-5yhhA:
undetectable
4cx7D-5yhhA:
undetectable		 4cx7C-5yhhA:
11.96
4cx7D-5yhhA:
11.96
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 4 ARG B 292
ILE B 299
TRP B 306
GLU B 497
 None
 1.16A 4cx7C-5zvtB:
undetectable
4cx7D-5zvtB:
undetectable		 4cx7C-5zvtB:
10.45
4cx7D-5zvtB:
10.45
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 4 SER F 259
ILE F 260
PHE F 253
GLU F 258
 None
 1.24A 4cx7C-6btmF:
undetectable
4cx7D-6btmF:
undetectable		 4cx7C-6btmF:
10.33
4cx7D-6btmF:
10.33
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.
6fgh BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2A

(Homo sapiens) 		no annotation 4 MET A1807
ILE A1805
PHE A1889
GLU A1810
 None
 1.27A 4cx7C-6fghA:
undetectable
4cx7D-6fghA:
undetectable		 4cx7C-6fghA:
14.20
4cx7D-6fghA:
14.20