SIMILAR PATTERNS OF AMINO ACIDS FOR 5AD4_B_H4BB760_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.
1cyo CYTOCHROME B5

(Bos taurus) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.8A)
None
None
None
 1.32A 5ad4A-1cyoA:
0.0
5ad4B-1cyoA:
0.0		 5ad4A-1cyoA:
12.05
5ad4B-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 TRP A 242
PHE A 239
GLU A 241
ARG A 123
 None
 1.45A 5ad4A-1dvkA:
1.6
5ad4B-1dvkA:
1.4		 5ad4A-1dvkA:
17.18
5ad4B-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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 TRP A  66
GLU A  76
ARG A   2
VAL A  87
 None
 1.49A 5ad4A-1fhuA:
undetectable
5ad4B-1fhuA:
0.0		 5ad4A-1fhuA:
25.23
5ad4B-1fhuA:
25.23
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 PHE A 501
GLU A 519
VAL A  41
TRP A 521
 None
 1.16A 5ad4A-1flgA:
0.0
5ad4B-1flgA:
0.0		 5ad4A-1flgA:
19.67
5ad4B-1flgA:
19.67
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 TRP A 719
PHE A 715
GLU A 543
VAL A 464
 None
 1.43A 5ad4A-1itkA:
0.0
5ad4B-1itkA:
1.0		 5ad4A-1itkA:
22.22
5ad4B-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 GLU A 814
MET A 815
VAL A 707
TRP A 819
 None
 1.20A 5ad4A-1jqoA:
0.0
5ad4B-1jqoA:
0.0		 5ad4A-1jqoA:
18.32
5ad4B-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 PHE A 220
GLU A 222
ARG A 282
VAL A 226
 None
 1.33A 5ad4A-1kh2A:
0.0
5ad4B-1kh2A:
0.1		 5ad4A-1kh2A:
22.65
5ad4B-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 TRP A 155
PHE A 156
GLU A 154
ARG A 340
 None
 1.33A 5ad4A-1l5jA:
0.0
5ad4B-1l5jA:
0.0		 5ad4A-1l5jA:
19.28
5ad4B-1l5jA:
19.28
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 MET A 336
ARG A 596
VAL A 677
TRP A 678
 H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 (-4.6A)
H4B  A 760 ( 3.6A)
 0.58A 5ad4A-1lzxA:
62.8
5ad4B-1lzxA:
61.9		 5ad4A-1lzxA:
100.00
5ad4B-1lzxA:
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		4 PHE A  79
GLU A  36
ARG A  69
VAL A  54
 None
 1.12A 5ad4A-1mzbA:
undetectable
5ad4B-1mzbA:
undetectable		 5ad4A-1mzbA:
16.59
5ad4B-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 TRP A 435
PHE A 432
MET A 440
VAL A 401
 None
 0.85A 5ad4A-1pduA:
undetectable
5ad4B-1pduA:
undetectable		 5ad4A-1pduA:
21.05
5ad4B-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.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		4 TRP A 162
PHE A 265
GLU A 161
VAL A 221
 None
 1.42A 5ad4A-1vmkA:
undetectable
5ad4B-1vmkA:
undetectable		 5ad4A-1vmkA:
21.48
5ad4B-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 PHE A  26
GLU A  21
MET A  17
VAL A  35
 None
 1.27A 5ad4A-1wf0A:
undetectable
5ad4B-1wf0A:
undetectable		 5ad4A-1wf0A:
11.85
5ad4B-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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 TRP I 225
PHE I 274
GLU I 378
VAL I 375
 None
 1.43A 5ad4A-2b4xI:
undetectable
5ad4B-2b4xI:
undetectable		 5ad4A-2b4xI:
22.01
5ad4B-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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 PHE A 315
GLU A 468
ARG A 335
VAL A 285
 None
 1.48A 5ad4A-2dpgA:
undetectable
5ad4B-2dpgA:
undetectable		 5ad4A-2dpgA:
22.18
5ad4B-2dpgA:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 555
ARG A 586
VAL A 578
TRP A 579
 None
 1.23A 5ad4A-2fjaA:
undetectable
5ad4B-2fjaA:
undetectable		 5ad4A-2fjaA:
22.29
5ad4B-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.
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 TRP B 788
GLU A 360
ARG A  62
VAL A 367
 None
 1.32A 5ad4A-2fjaB:
undetectable
5ad4B-2fjaB:
undetectable		 5ad4A-2fjaB:
18.25
5ad4B-2fjaB:
18.25
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.
2ggm CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
 1.34A 5ad4A-2ggmA:
undetectable
5ad4B-2ggmA:
undetectable		 5ad4A-2ggmA:
17.43
5ad4B-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.
2hqv AGR_C_4470P

(Agrobacterium
fabrum) 		PF06228
(ChuX_HutX) 		4 PHE A 178
GLU A  78
ARG A 182
VAL A 147
 None
 1.47A 5ad4A-2hqvA:
undetectable
5ad4B-2hqvA:
undetectable		 5ad4A-2hqvA:
17.72
5ad4B-2hqvA:
17.72
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 PHE A  99
GLU A 101
ARG A 202
TRP A  93
 None
None
GUN  A 503 (-3.7A)
None
 1.32A 5ad4A-2i9uA:
undetectable
5ad4B-2i9uA:
0.4		 5ad4A-2i9uA:
20.97
5ad4B-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.
2l82 DESIGNED PROTEIN
OR32

(synthetic
construct) 		no annotation 4 TRP A  72
PHE A  95
GLU A 101
VAL A 104
 None
 1.46A 5ad4A-2l82A:
undetectable
5ad4B-2l82A:
undetectable		 5ad4A-2l82A:
17.49
5ad4B-2l82A:
17.49
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.
2obh CENTRIN-2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 PHE A 162
GLU A 148
MET A 145
VAL A 157
 None
None
None
CA  A1001 ( 4.9A)
 1.34A 5ad4A-2obhA:
undetectable
5ad4B-2obhA:
undetectable		 5ad4A-2obhA:
17.09
5ad4B-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 PHE A  97
GLU A 116
VAL A 127
TRP A 129
 None
 1.30A 5ad4A-2rikA:
undetectable
5ad4B-2rikA:
undetectable		 5ad4A-2rikA:
22.52
5ad4B-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 TRP A 252
PHE A 254
GLU A 251
VAL A 245
 None
None
MRD  A1301 (-4.3A)
None
 1.47A 5ad4A-2vy0A:
undetectable
5ad4B-2vy0A:
undetectable		 5ad4A-2vy0A:
20.00
5ad4B-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 TRP A 266
PHE A 261
ARG A 278
VAL A 269
 None
 1.41A 5ad4A-2w4oA:
undetectable
5ad4B-2w4oA:
undetectable		 5ad4A-2w4oA:
20.26
5ad4B-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 PHE A 698
GLU A 722
ARG A 697
VAL A 717
 None
 1.39A 5ad4A-2xvgA:
undetectable
5ad4B-2xvgA:
undetectable		 5ad4A-2xvgA:
19.68
5ad4B-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 PHE A 309
GLU A 305
ARG A 211
VAL A 239
 None
 1.40A 5ad4A-2ywbA:
undetectable
5ad4B-2ywbA:
undetectable		 5ad4A-2ywbA:
21.54
5ad4B-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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		4 TRP A  66
PHE A   4
GLU A   6
VAL A  64
 None
 1.44A 5ad4A-2z11A:
undetectable
5ad4B-2z11A:
undetectable		 5ad4A-2z11A:
17.58
5ad4B-2z11A:
17.58
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 TRP A  15
PHE A 137
GLU A  16
MET A  17
 None
 1.20A 5ad4A-2zf8A:
undetectable
5ad4B-2zf8A:
undetectable		 5ad4A-2zf8A:
21.35
5ad4B-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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE

(Mycobacterium
gastri) 		PF00215
(OMPdecase) 		4 PHE A1074
GLU A1069
MET A1060
VAL A1106
 None
 1.39A 5ad4A-3ajxA:
undetectable
5ad4B-3ajxA:
undetectable		 5ad4A-3ajxA:
20.24
5ad4B-3ajxA:
20.24
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 TRP A 374
GLU A 372
VAL A 314
TRP A 293
 None
EDO  A 404 ( 3.8A)
None
None
 1.41A 5ad4A-3b7fA:
undetectable
5ad4B-3b7fA:
undetectable		 5ad4A-3b7fA:
20.87
5ad4B-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 PHE A 211
GLU A 206
MET A 202
VAL A 220
 None
 1.06A 5ad4A-3d2wA:
undetectable
5ad4B-3d2wA:
undetectable		 5ad4A-3d2wA:
12.22
5ad4B-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 TRP A  70
PHE A  88
GLU A  71
VAL A  16
 None
 1.45A 5ad4A-3ddlA:
undetectable
5ad4B-3ddlA:
undetectable		 5ad4A-3ddlA:
20.14
5ad4B-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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 TRP A 248
PHE A 243
GLU A 245
ARG A 260
 None
 1.29A 5ad4A-3f3zA:
undetectable
5ad4B-3f3zA:
undetectable		 5ad4A-3f3zA:
21.03
5ad4B-3f3zA:
21.03
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 PHE A  67
GLU A  65
ARG A  27
VAL A  56
 None
 1.49A 5ad4A-3gs3A:
undetectable
5ad4B-3gs3A:
undetectable		 5ad4A-3gs3A:
20.28
5ad4B-3gs3A:
20.28
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 TRP B  88
GLU A 380
ARG A  66
VAL A 387
 None
 1.27A 5ad4A-3gyxB:
undetectable
5ad4B-3gyxB:
undetectable		 5ad4A-3gyxB:
16.67
5ad4B-3gyxB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hk4 MLR7391 PROTEIN

(Mesorhizobium
loti) 		PF12680
(SnoaL_2) 		4 PHE A  78
GLU A   5
MET A   1
VAL A 105
 None
 1.44A 5ad4A-3hk4A:
undetectable
5ad4B-3hk4A:
undetectable		 5ad4A-3hk4A:
15.26
5ad4B-3hk4A:
15.26
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 TRP A 819
GLU A 787
MET A 786
VAL A 832
 None
 1.39A 5ad4A-3lltA:
undetectable
5ad4B-3lltA:
undetectable		 5ad4A-3lltA:
21.60
5ad4B-3lltA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TRP A 257
PHE A 252
ARG A 269
VAL A 260
 None
 1.38A 5ad4A-3ma6A:
undetectable
5ad4B-3ma6A:
undetectable		 5ad4A-3ma6A:
21.55
5ad4B-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.
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8

(Homo sapiens) 		PF00443
(UCH) 		4 TRP A1001
PHE A 946
GLU A 908
ARG A 944
 None
 1.48A 5ad4A-3n3kA:
undetectable
5ad4B-3n3kA:
undetectable		 5ad4A-3n3kA:
19.83
5ad4B-3n3kA:
19.83
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.
3ner CYTOCHROME B5 TYPE B

(Homo sapiens) 		PF00173
(Cyt-b5) 		4 PHE A  58
GLU A  56
ARG A  68
VAL A  61
 HEM  A 201 (-4.7A)
None
None
HEM  A 201 (-4.5A)
 1.46A 5ad4A-3nerA:
undetectable
5ad4B-3nerA:
undetectable		 5ad4A-3nerA:
14.93
5ad4B-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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 PHE A 121
GLU A 119
ARG A 175
VAL A  92
 None
 1.18A 5ad4A-3owcA:
undetectable
5ad4B-3owcA:
undetectable		 5ad4A-3owcA:
16.47
5ad4B-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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 PHE A 113
GLU A 109
MET A 108
TRP A 128
 None
 1.42A 5ad4A-3q63A:
undetectable
5ad4B-3q63A:
undetectable		 5ad4A-3q63A:
13.71
5ad4B-3q63A:
13.71
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 146
PHE A 162
GLU A 187
VAL A 149
 None
 1.34A 5ad4A-3rjyA:
undetectable
5ad4B-3rjyA:
undetectable		 5ad4A-3rjyA:
21.27
5ad4B-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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 274
PHE A 269
ARG A 286
VAL A 277
 None
DMS  A 711 (-3.9A)
DMS  A 711 (-4.1A)
None
 1.43A 5ad4A-3sxfA:
undetectable
5ad4B-3sxfA:
undetectable		 5ad4A-3sxfA:
20.77
5ad4B-3sxfA:
20.77
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 PHE A 305
GLU A 265
VAL A 240
TRP A 239
 None
 1.31A 5ad4A-3ti8A:
undetectable
5ad4B-3ti8A:
undetectable		 5ad4A-3ti8A:
22.64
5ad4B-3ti8A:
22.64
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 PHE A 311
GLU A 267
ARG A 388
VAL A 385
 None
 1.49A 5ad4A-3wa1A:
undetectable
5ad4B-3wa1A:
undetectable		 5ad4A-3wa1A:
22.22
5ad4B-3wa1A:
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 TRP C2314
PHE C2329
GLU C2310
VAL C2274
 None
 1.32A 5ad4A-4bgdC:
undetectable
5ad4B-4bgdC:
undetectable		 5ad4A-4bgdC:
20.99
5ad4B-4bgdC:
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		4 PHE A1118
GLU A1032
ARG A1065
VAL A1046
 None
 1.44A 5ad4A-4d8oA:
undetectable
5ad4B-4d8oA:
undetectable		 5ad4A-4d8oA:
19.44
5ad4B-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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 PHE A 164
GLU A 189
ARG A 160
VAL A 178
 None
 1.47A 5ad4A-4fxqA:
undetectable
5ad4B-4fxqA:
undetectable		 5ad4A-4fxqA:
22.02
5ad4B-4fxqA:
22.02
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 TRP A  62
PHE A  85
MET A 258
VAL A 265
 None
 1.38A 5ad4A-4g76A:
undetectable
5ad4B-4g76A:
undetectable		 5ad4A-4g76A:
19.86
5ad4B-4g76A:
19.86
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.
4inw PHEROMONE-BINDING
PROTEIN 1

(Amyelois
transitella) 		PF01395
(PBP_GOBP) 		4 PHE A  12
MET A   5
VAL A 134
TRP A  37
 1EY  A 201 (-3.4A)
1EY  A 201 (-4.6A)
None
None
 1.47A 5ad4A-4inwA:
undetectable
5ad4B-4inwA:
undetectable		 5ad4A-4inwA:
15.40
5ad4B-4inwA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE B 327
GLU B 424
VAL B 351
TRP B 355
 None
 0.96A 5ad4A-4l37B:
undetectable
5ad4B-4l37B:
undetectable		 5ad4A-4l37B:
20.69
5ad4B-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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 TRP A 218
PHE A 286
ARG A 385
TRP A 387
 None
 1.37A 5ad4A-4mh1A:
undetectable
5ad4B-4mh1A:
undetectable		 5ad4A-4mh1A:
21.16
5ad4B-4mh1A:
21.16
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.09A 5ad4A-4mlnA:
undetectable
5ad4B-4mlnA:
undetectable		 5ad4A-4mlnA:
16.55
5ad4B-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 PHE A  93
GLU A 183
MET A 180
VAL A   9
 None
 1.15A 5ad4A-4n6wA:
undetectable
5ad4B-4n6wA:
undetectable		 5ad4A-4n6wA:
19.62
5ad4B-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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 PHE A 141
GLU A 162
ARG A  75
VAL A  79
 None
 1.46A 5ad4A-4pneA:
undetectable
5ad4B-4pneA:
undetectable		 5ad4A-4pneA:
21.36
5ad4B-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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 TRP A 267
PHE A 268
ARG A 280
VAL A 309
 None
 1.15A 5ad4A-4xj5A:
undetectable
5ad4B-4xj5A:
undetectable		 5ad4A-4xj5A:
22.45
5ad4B-4xj5A:
22.45
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 264
GLU A 266
ARG A 276
VAL A 305
 None
 1.13A 5ad4A-4xj6A:
undetectable
5ad4B-4xj6A:
undetectable		 5ad4A-4xj6A:
21.06
5ad4B-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 TRP A 263
PHE A 264
GLU A 266
VAL A 305
 None
 1.18A 5ad4A-4xj6A:
undetectable
5ad4B-4xj6A:
undetectable		 5ad4A-4xj6A:
21.06
5ad4B-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.
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7

(Homo sapiens) 		PF03133
(TTL) 		4 PHE A 277
GLU A 279
VAL A 288
TRP A 292
 None
 1.42A 5ad4A-4ylrA:
undetectable
5ad4B-4ylrA:
undetectable		 5ad4A-4ylrA:
22.81
5ad4B-4ylrA:
22.81
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 TRP A 251
PHE A 246
ARG A 263
VAL A 254
 None
 1.50A 5ad4A-4ysjA:
undetectable
5ad4B-4ysjA:
undetectable		 5ad4A-4ysjA:
20.98
5ad4B-4ysjA:
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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		4 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-5bs1A:
14.45
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 TRP A 732
GLU A 731
ARG A 505
VAL A 736
 None
 1.37A 5ad4A-5by3A:
undetectable
5ad4B-5by3A:
undetectable		 5ad4A-5by3A:
19.82
5ad4B-5by3A:
19.82
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 TRP A 401
PHE A 397
GLU A 402
VAL B  28
 None
 1.42A 5ad4A-5c6gA:
3.5
5ad4B-5c6gA:
undetectable		 5ad4A-5c6gA:
21.86
5ad4B-5c6gA:
21.86
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.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 PHE A 221
MET A 186
VAL A  55
TRP A  58
 None
 1.31A 5ad4A-5d5tA:
undetectable
5ad4B-5d5tA:
undetectable		 5ad4A-5d5tA:
21.35
5ad4B-5d5tA:
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.
5d8i SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin) 		4 PHE A  68
GLU A 115
ARG A 125
VAL A  53
 None
 1.29A 5ad4A-5d8iA:
undetectable
5ad4B-5d8iA:
undetectable		 5ad4A-5d8iA:
23.33
5ad4B-5d8iA:
23.33
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.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 TRP A  83
PHE A  61
GLU A  84
VAL A  92
 None
 1.29A 5ad4A-5kn8A:
undetectable
5ad4B-5kn8A:
undetectable		 5ad4A-5kn8A:
22.28
5ad4B-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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 TRP A 736
PHE A 732
GLU A 560
VAL A 481
 None
 1.44A 5ad4A-5kqiA:
undetectable
5ad4B-5kqiA:
undetectable		 5ad4A-5kqiA:
20.85
5ad4B-5kqiA:
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.37A 5ad4A-5m7rA:
undetectable
5ad4B-5m7rA:
0.8		 5ad4A-5m7rA:
18.13
5ad4B-5m7rA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TRP A 414
PHE A 411
GLU A 413
ARG A 225
 None
 1.03A 5ad4A-5m8tA:
undetectable
5ad4B-5m8tA:
undetectable		 5ad4A-5m8tA:
20.00
5ad4B-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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 TRP A  73
PHE A 318
GLU A 317
ARG A  84
 None
 1.49A 5ad4A-5uhpA:
undetectable
5ad4B-5uhpA:
0.3		 5ad4A-5uhpA:
20.00
5ad4B-5uhpA:
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.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		4 PHE A  77
GLU A  63
MET A  60
VAL A  72
 9XG  A 201 (-3.8A)
None
9XG  A 201 (-4.0A)
9XG  A 201 (-3.8A)
 1.46A 5ad4A-5w88A:
undetectable
5ad4B-5w88A:
undetectable		 5ad4A-5w88A:
15.25
5ad4B-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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 PHE A 812
GLU A 808
ARG A 833
VAL A 838
 None
 1.47A 5ad4A-5wvgA:
undetectable
5ad4B-5wvgA:
0.0		 5ad4A-5wvgA:
10.82
5ad4B-5wvgA:
10.82
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 TRP H  49
MET H 105
VAL D  98
TRP D  91
 None
 1.14A 5ad4A-5xwdH:
undetectable
5ad4B-5xwdH:
undetectable		 5ad4A-5xwdH:
9.59
5ad4B-5xwdH:
9.59
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 TRP A 421
GLU A 394
MET A 393
VAL A 431
 None
 1.41A 5ad4A-6fylA:
undetectable
5ad4B-6fylA:
undetectable		 5ad4A-6fylA:
undetectable
5ad4B-6fylA:
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.42A 5ad4A-6fyoA:
undetectable
5ad4B-6fyoA:
undetectable		 5ad4A-6fyoA:
undetectable
5ad4B-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 TRP A 419
GLU A 392
MET A 391
VAL A 429
 None
 1.32A 5ad4A-6fyvA:
undetectable
5ad4B-6fyvA:
undetectable		 5ad4A-6fyvA:
undetectable
5ad4B-6fyvA:
undetectable