SIMILAR PATTERNS OF AMINO ACIDS FOR 5UNX_A_H4BA802

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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 VAL A 667
TRP A 673
PHE A 681
GLU A 649
 None
 1.28A 5unxA-1c4kA:
0.0
5unxB-1c4kA:
0.0		 5unxA-1c4kA:
19.07
5unxB-1c4kA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cyo CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 ARG A  68
VAL A  61
PHE A  58
GLU A  56
 None
None
HEM  A 201 (-4.8A)
None
 1.31A 5unxA-1cyoA:
0.0
5unxB-1cyoA:
0.0		 5unxA-1cyoA:
12.05
5unxB-1cyoA:
12.05
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.
1dvk PRP18

(Saccharomyces
cerevisiae) 		PF02840
(Prp18) 		4 ARG A 123
TRP A 242
PHE A 239
GLU A 241
 None
 1.47A 5unxA-1dvkA:
2.5
5unxB-1dvkA:
1.4		 5unxA-1dvkA:
17.18
5unxB-1dvkA:
17.18
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		4 MET A 384
VAL A 381
PHE A 157
GLU A 388
 None
 1.09A 5unxA-1iokA:
0.0
5unxB-1iokA:
0.0		 5unxA-1iokA:
22.85
5unxB-1iokA:
22.85
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 VAL A 464
TRP A 719
PHE A 715
GLU A 543
 None
 1.50A 5unxA-1itkA:
2.1
5unxB-1itkA:
1.1		 5unxA-1itkA:
22.22
5unxB-1itkA:
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 MET A 815
VAL A 707
TRP A 819
GLU A 814
 None
 1.16A 5unxA-1jqoA:
0.8
5unxB-1jqoA:
0.0		 5unxA-1jqoA:
18.32
5unxB-1jqoA:
18.32
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 ARG A 282
VAL A 226
PHE A 220
GLU A 222
 None
 1.29A 5unxA-1kh2A:
0.4
5unxB-1kh2A:
0.1		 5unxA-1kh2A:
22.65
5unxB-1kh2A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.03A 5unxA-1mzbA:
0.3
5unxB-1mzbA:
0.8		 5unxA-1mzbA:
16.59
5unxB-1mzbA:
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.
1pdu NUCLEAR HORMONE
RECEPTOR HR38

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 MET A 440
VAL A 401
TRP A 435
PHE A 432
 None
 0.94A 5unxA-1pduA:
0.0
5unxB-1pduA:
0.0		 5unxA-1pduA:
21.05
5unxB-1pduA:
21.05
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.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A 171
TRP A 135
PHE A 138
GLU A 132
 None
 1.33A 5unxA-1qwkA:
undetectable
5unxB-1qwkA:
undetectable		 5unxA-1qwkA:
21.76
5unxB-1qwkA:
21.76
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.
1t1j HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF09152
(DUF1937) 		4 ARG A   2
VAL A  28
TRP A 110
PHE A 117
 None
 1.41A 5unxA-1t1jA:
undetectable
5unxB-1t1jA:
undetectable		 5unxA-1t1jA:
16.38
5unxB-1t1jA:
16.38
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.
1uli BIPHENYL DIOXYGENASE
SMALL SUBUNIT

(Rhodococcus
jostii) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 157
VAL B 129
PHE B 164
GLU B  27
 None
None
None
FE2  B 700 ( 4.8A)
 1.22A 5unxA-1uliB:
undetectable
5unxB-1uliB:
undetectable		 5unxA-1uliB:
17.21
5unxB-1uliB:
17.21
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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.41A 5unxA-1vmkA:
undetectable
5unxB-1vmkA:
undetectable		 5unxA-1vmkA:
21.48
5unxB-1vmkA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wf0 TAR DNA-BINDING
PROTEIN-43

(Homo sapiens) 		PF00076
(RRM_1) 		4 MET A  17
VAL A  35
PHE A  26
GLU A  21
 None
 1.15A 5unxA-1wf0A:
undetectable
5unxB-1wf0A:
undetectable		 5unxA-1wf0A:
11.85
5unxB-1wf0A:
11.85
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 156
VAL B 128
PHE B 163
GLU B  26
 None
 1.24A 5unxA-1wqlB:
undetectable
5unxB-1wqlB:
undetectable		 5unxA-1wqlB:
19.79
5unxB-1wqlB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 VAL I 375
TRP I 225
PHE I 274
GLU I 378
 None
 1.45A 5unxA-2b4xI:
undetectable
5unxB-2b4xI:
undetectable		 5unxA-2b4xI:
22.01
5unxB-2b4xI:
22.01
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ARG A  62
VAL A 367
TRP B 788
GLU A 360
 None
 1.28A 5unxA-2fjaA:
undetectable
5unxB-2fjaA:
undetectable		 5unxA-2fjaA:
22.29
5unxB-2fjaA:
22.29
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
 1.32A 5unxA-2ggmA:
undetectable
5unxB-2ggmA:
undetectable		 5unxA-2ggmA:
17.43
5unxB-2ggmA:
17.43
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 ARG A 202
TRP A  93
PHE A  99
GLU A 101
 GUN  A 503 (-3.7A)
None
None
None
 1.35A 5unxA-2i9uA:
0.6
5unxB-2i9uA:
0.4		 5unxA-2i9uA:
20.97
5unxB-2i9uA:
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 MET A 145
VAL A 157
PHE A 162
GLU A 148
 None
CA  A1001 ( 4.9A)
None
None
 1.35A 5unxA-2obhA:
undetectable
5unxB-2obhA:
undetectable		 5unxA-2obhA:
17.09
5unxB-2obhA:
17.09
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.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 VAL A 127
TRP A 129
PHE A  97
GLU A 116
 None
 1.26A 5unxA-2rikA:
undetectable
5unxB-2rikA:
undetectable		 5unxA-2rikA:
22.52
5unxB-2rikA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vy0 ENDO-BETA-1,3-GLUCAN
ASE

(Pyrococcus
furiosus) 		PF00722
(Glyco_hydro_16) 		4 VAL A 245
TRP A 252
PHE A 254
GLU A 251
 None
None
None
MRD  A1301 (-4.3A)
 1.48A 5unxA-2vy0A:
undetectable
5unxB-2vy0A:
undetectable		 5unxA-2vy0A:
20.00
5unxB-2vy0A:
20.00
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.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 278
VAL A 269
TRP A 266
PHE A 261
 None
 1.43A 5unxA-2w4oA:
undetectable
5unxB-2w4oA:
undetectable		 5unxA-2w4oA:
20.26
5unxB-2w4oA:
20.26
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ARG A 697
VAL A 717
PHE A 698
GLU A 722
 None
 1.34A 5unxA-2xvgA:
0.5
5unxB-2xvgA:
undetectable		 5unxA-2xvgA:
19.68
5unxB-2xvgA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		4 ARG A 211
VAL A 239
PHE A 309
GLU A 305
 None
 1.38A 5unxA-2ywbA:
undetectable
5unxB-2ywbA:
undetectable		 5unxA-2ywbA:
21.54
5unxB-2ywbA:
21.54
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.
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
 1.35A 5unxA-2zf8A:
undetectable
5unxB-2zf8A:
undetectable		 5unxA-2zf8A:
21.35
5unxB-2zf8A:
21.35
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.
2zpk IGG1-LAMBDA P20.1
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  37
TRP H  47
PHE H  69
GLU H  95
 None
 1.23A 5unxA-2zpkH:
undetectable
5unxB-2zpkH:
undetectable		 5unxA-2zpkH:
20.10
5unxB-2zpkH:
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.38A 5unxA-3b7fA:
undetectable
5unxB-3b7fA:
undetectable		 5unxA-3b7fA:
20.87
5unxB-3b7fA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2w TAR DNA-BINDING
PROTEIN 43

(Mus musculus) 		PF00076
(RRM_1) 		4 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 1.00A 5unxA-3d2wA:
undetectable
5unxB-3d2wA:
undetectable		 5unxA-3d2wA:
12.22
5unxB-3d2wA:
12.22
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		4 VAL A  16
TRP A  70
PHE A  88
GLU A  71
 None
 1.43A 5unxA-3ddlA:
2.0
5unxB-3ddlA:
undetectable		 5unxA-3ddlA:
20.14
5unxB-3ddlA:
20.14
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 MET A 326
VAL A 241
PHE A 332
GLU A 330
 None
 1.32A 5unxA-3fw8A:
undetectable
5unxB-3fw8A:
undetectable		 5unxA-3fw8A:
23.87
5unxB-3fw8A:
23.87
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.
3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF14815
(NUDIX_4) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.45A 5unxA-3g0qA:
undetectable
5unxB-3g0qA:
undetectable		 5unxA-3g0qA:
22.03
5unxB-3g0qA:
22.03
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 ARG A  66
VAL A 387
TRP B  88
GLU A 380
 None
 1.23A 5unxA-3gyxA:
2.6
5unxB-3gyxA:
undetectable		 5unxA-3gyxA:
20.98
5unxB-3gyxA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		4 MET A 471
ARG A 518
TRP A 534
PHE A 531
 None
 1.40A 5unxA-3k5zA:
undetectable
5unxB-3k5zA:
undetectable		 5unxA-3k5zA:
23.63
5unxB-3k5zA:
23.63
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.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 ARG A 269
VAL A 260
TRP A 257
PHE A 252
 None
 1.40A 5unxA-3ma6A:
undetectable
5unxB-3ma6A:
undetectable		 5unxA-3ma6A:
21.55
5unxB-3ma6A:
21.55
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.
3ner CYTOCHROME B5 TYPE B

(Homo sapiens) 		PF00173
(Cyt-b5) 		4 ARG A  68
VAL A  61
PHE A  58
GLU A  56
 None
HEM  A 201 (-4.5A)
HEM  A 201 (-4.7A)
None
 1.50A 5unxA-3nerA:
undetectable
5unxB-3nerA:
undetectable		 5unxA-3nerA:
14.93
5unxB-3nerA:
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.
3ojd FAB V2D2

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B  37
TRP B  47
PHE B  69
GLU B  95
 None
 1.32A 5unxA-3ojdB:
undetectable
5unxB-3ojdB:
undetectable		 5unxA-3ojdB:
20.00
5unxB-3ojdB:
20.00
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.22A 5unxA-3owcA:
undetectable
5unxB-3owcA:
1.7		 5unxA-3owcA:
16.47
5unxB-3owcA:
16.47
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 4 ARG A 188
VAL A 158
TRP A  27
GLU A 174
 None
 1.26A 5unxA-3pf7A:
undetectable
5unxB-3pf7A:
undetectable		 5unxA-3pf7A:
21.55
5unxB-3pf7A:
21.55
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 328
VAL A 167
PHE A 164
GLU A 161
 None
 1.46A 5unxA-3qldA:
undetectable
5unxB-3qldA:
undetectable		 5unxA-3qldA:
21.06
5unxB-3qldA:
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 VAL A 149
TRP A 146
PHE A 162
GLU A 187
 None
 1.33A 5unxA-3rjyA:
1.5
5unxB-3rjyA:
1.4		 5unxA-3rjyA:
21.27
5unxB-3rjyA:
21.27
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		4 VAL A 162
TRP A 140
PHE A 118
GLU A 141
 None
 1.20A 5unxA-3tquA:
undetectable
5unxB-3tquA:
undetectable		 5unxA-3tquA:
19.05
5unxB-3tquA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wyd LC-EST1C

(uncultured
organism) 		PF00326
(Peptidase_S9) 		4 ARG A 306
VAL A 355
PHE A 336
GLU A 349
 None
 1.48A 5unxA-3wydA:
undetectable
5unxB-3wydA:
undetectable		 5unxA-3wydA:
18.54
5unxB-3wydA:
18.54
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 ARG A1065
VAL A1046
PHE A1118
GLU A1032
 None
 1.44A 5unxA-4d8oA:
undetectable
5unxB-4d8oA:
undetectable		 5unxA-4d8oA:
19.44
5unxB-4d8oA:
19.44
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 VAL B 351
TRP B 355
PHE B 327
GLU B 424
 None
 0.92A 5unxA-4l37B:
undetectable
5unxB-4l37B:
undetectable		 5unxA-4l37B:
20.69
5unxB-4l37B:
20.69
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.12A 5unxA-4mlnA:
undetectable
5unxB-4mlnA:
undetectable		 5unxA-4mlnA:
16.55
5unxB-4mlnA:
16.55
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.17A 5unxA-4n6wA:
undetectable
5unxB-4n6wA:
undetectable		 5unxA-4n6wA:
19.62
5unxB-4n6wA:
19.62
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		4 ARG A 155
VAL A  38
TRP A 199
TRP A  45
 X2X  A 403 (-3.0A)
X2X  A 403 ( 4.5A)
X2X  A 403 (-4.4A)
None
 1.49A 5unxA-4p8bA:
undetectable
5unxB-4p8bA:
undetectable		 5unxA-4p8bA:
20.81
5unxB-4p8bA:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ARG A  75
VAL A  79
PHE A 141
GLU A 162
 None
 1.39A 5unxA-4pneA:
undetectable
5unxB-4pneA:
undetectable		 5unxA-4pneA:
21.36
5unxB-4pneA:
21.36
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 ARG A 276
VAL A 305
PHE A 264
GLU A 266
 None
 1.15A 5unxA-4xj6A:
2.2
5unxB-4xj6A:
undetectable		 5unxA-4xj6A:
21.06
5unxB-4xj6A:
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.11A 5unxA-4xj6A:
2.2
5unxB-4xj6A:
undetectable		 5unxA-4xj6A:
21.06
5unxB-4xj6A:
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 MET A 157
ARG A 149
VAL A 101
TRP A 156
 None
 1.38A 5unxA-4xwhA:
2.5
5unxB-4xwhA:
undetectable		 5unxA-4xwhA:
19.26
5unxB-4xwhA:
19.26
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.
5aeu BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Paraburkholderia
xenovorans) 		PF00866
(Ring_hydroxyl_B) 		4 ARG B 158
VAL B 130
PHE B 165
GLU B  28
 None
 1.30A 5unxA-5aeuB:
undetectable
5unxB-5aeuB:
undetectable		 5unxA-5aeuB:
15.61
5unxB-5aeuB:
15.61
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.46A 5unxA-5c6gB:
undetectable
5unxB-5c6gB:
undetectable		 5unxA-5c6gB:
18.69
5unxB-5c6gB:
18.69
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.
5d1p ATP-DEPENDENT RNA
LIGASE

(Methanothermobacter
thermautotrophicus) 		PF09414
(RNA_ligase) 		4 MET A  98
ARG A 192
VAL A 234
GLU A 151
 APK  A  97 ( 4.2A)
None
APK  A  97 ( 4.3A)
APK  A  97 ( 3.0A)
 1.33A 5unxA-5d1pA:
2.1
5unxB-5d1pA:
undetectable		 5unxA-5d1pA:
23.79
5unxB-5d1pA:
23.79
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 VAL A  92
TRP A  83
PHE A  61
GLU A  84
 None
 1.34A 5unxA-5kn8A:
undetectable
5unxB-5kn8A:
undetectable		 5unxA-5kn8A:
22.28
5unxB-5kn8A:
22.28
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.
5lwy V REGION HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 VAL H  37
TRP H  47
PHE H  70
GLU H  99
 None
 1.40A 5unxA-5lwyH:
undetectable
5unxB-5lwyH:
undetectable		 5unxA-5lwyH:
13.83
5unxB-5lwyH:
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.
5lx9 SINGLE-CHAIN
VARIABLE FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		4 VAL H  37
TRP H  47
PHE H  70
GLU H  99
 None
 1.33A 5unxA-5lx9H:
undetectable
5unxB-5lx9H:
undetectable		 5unxA-5lx9H:
19.46
5unxB-5lx9H:
19.46
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.
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
 1.03A 5unxA-5m8tA:
undetectable
5unxB-5m8tA:
undetectable		 5unxA-5m8tA:
20.00
5unxB-5m8tA:
20.00
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.
5tws HUMAN DNA POLYMERASE
MU

(Homo sapiens) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 ARG A 175
VAL A 225
PHE A 179
GLU A 165
 None
 1.37A 5unxA-5twsA:
undetectable
5unxB-5twsA:
undetectable		 5unxA-5twsA:
21.64
5unxB-5twsA:
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.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		4 MET A  60
VAL A  72
PHE A  77
GLU A  63
 9XG  A 201 (-4.0A)
9XG  A 201 (-3.8A)
9XG  A 201 (-3.8A)
None
 1.48A 5unxA-5w88A:
undetectable
5unxB-5w88A:
undetectable		 5unxA-5w88A:
15.25
5unxB-5w88A:
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.
5xct VH(S112C)-SARAH
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 VAL A  37
TRP A  47
PHE A  69
GLU A  95
 None
 1.23A 5unxA-5xctA:
undetectable
5unxB-5xctA:
undetectable		 5unxA-5xctA:
16.71
5unxB-5xctA:
16.71
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.
6ces RAS-RELATED
GTP-BINDING PROTEIN
A

(Homo sapiens) 		no annotation 4 MET A 252
VAL A 274
PHE A 259
GLU A 253
 None
 1.36A 5unxA-6cesA:
0.8
5unxB-6cesA:
undetectable		 5unxA-6cesA:
12.26
5unxB-6cesA:
12.26
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.30A 5unxA-6fyoA:
undetectable
5unxB-6fyoA:
undetectable		 5unxA-6fyoA:
undetectable
5unxB-6fyoA:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.22A 5unxA-6fyvA:
undetectable
5unxB-6fyvA:
undetectable		 5unxA-6fyvA:
undetectable
5unxB-6fyvA:
undetectable