SIMILAR PATTERNS OF AMINO ACIDS FOR 3N5V_A_H4BA760_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.
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
 1.27A 3n5vA-1c4kA:
0.0
3n5vB-1c4kA:
0.0		 3n5vA-1c4kA:
19.07
3n5vB-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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 VAL A  41
TRP A 521
PHE A 501
GLU A 519
 None
 1.20A 3n5vA-1flgA:
0.0
3n5vB-1flgA:
0.0		 3n5vA-1flgA:
19.67
3n5vB-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.
1h3j PEROXIDASE

(Coprinopsis
cinerea) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 MET A 268
VAL A 177
TRP A 258
PHE A 211
 None
None
None
HSO  A 183 ( 3.5A)
 1.24A 3n5vA-1h3jA:
0.0
3n5vB-1h3jA:
0.0		 3n5vA-1h3jA:
22.84
3n5vB-1h3jA:
22.84
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		4 ARG A 130
TRP A  97
PHE A 131
GLU A  95
 None
 1.49A 3n5vA-1kexA:
undetectable
3n5vB-1kexA:
0.0		 3n5vA-1kexA:
16.83
3n5vB-1kexA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 ARG A 282
VAL A 226
PHE A 220
GLU A 222
 None
 1.41A 3n5vA-1kh2A:
0.0
3n5vB-1kh2A:
0.1		 3n5vA-1kh2A:
22.65
3n5vB-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 ARG A 340
TRP A 155
PHE A 156
GLU A 154
 None
 1.27A 3n5vA-1l5jA:
0.0
3n5vB-1l5jA:
0.0		 3n5vA-1l5jA:
19.28
3n5vB-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)
 0.54A 3n5vA-1lzxA:
62.5
3n5vB-1lzxA:
61.5		 3n5vA-1lzxA:
100.00
3n5vB-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 ARG A  69
VAL A  54
PHE A  79
GLU A  36
 None
 1.17A 3n5vA-1mzbA:
0.4
3n5vB-1mzbA:
0.7		 3n5vA-1mzbA:
16.59
3n5vB-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 3n5vA-1pduA:
0.0
3n5vB-1pduA:
0.0		 3n5vA-1pduA:
21.05
3n5vB-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 VAL A 221
TRP A 162
PHE A 265
GLU A 161
 None
 1.46A 3n5vA-1vmkA:
undetectable
3n5vB-1vmkA:
undetectable		 3n5vA-1vmkA:
21.48
3n5vB-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
 1.20A 3n5vA-1wf0A:
undetectable
3n5vB-1wf0A:
undetectable		 3n5vA-1wf0A:
11.85
3n5vB-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
 1.18A 3n5vA-1wqlB:
undetectable
3n5vB-1wqlB:
undetectable		 3n5vA-1wqlB:
19.79
3n5vB-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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 ARG A 335
VAL A 285
PHE A 315
GLU A 468
 None
 1.36A 3n5vA-2dpgA:
undetectable
3n5vB-2dpgA:
undetectable		 3n5vA-2dpgA:
22.18
3n5vB-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 ARG A 586
VAL A 578
TRP A 579
GLU A 555
 None
 1.15A 3n5vA-2fjaA:
undetectable
3n5vB-2fjaA:
undetectable		 3n5vA-2fjaA:
22.29
3n5vB-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 ARG A  62
VAL A 367
TRP B 788
GLU A 360
 None
 1.46A 3n5vA-2fjaA:
undetectable
3n5vB-2fjaA:
undetectable		 3n5vA-2fjaA:
22.29
3n5vB-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
 1.46A 3n5vA-2ggmA:
undetectable
3n5vB-2ggmA:
undetectable		 3n5vA-2ggmA:
17.43
3n5vB-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 ARG A 182
VAL A 147
PHE A 178
GLU A  78
 None
 1.48A 3n5vA-2hqvA:
undetectable
3n5vB-2hqvA:
undetectable		 3n5vA-2hqvA:
17.72
3n5vB-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.
2mz8 SIGMA FACTOR-BINDING
PROTEIN CRL

(Salmonella
enterica) 		PF07417
(Crl) 		4 ARG A  51
VAL A  40
TRP A  54
GLU A  89
 None
 1.09A 3n5vA-2mz8A:
undetectable
3n5vB-2mz8A:
undetectable		 3n5vA-2mz8A:
16.31
3n5vB-2mz8A:
16.31
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.
2o5w DATP
PYROPHOSPHOHYDROLASE

(Escherichia
coli) 		PF00293
(NUDIX) 		4 ARG A  77
VAL A  15
PHE A 145
GLU A 143
 None
 1.49A 3n5vA-2o5wA:
undetectable
3n5vB-2o5wA:
undetectable		 3n5vA-2o5wA:
18.71
3n5vB-2o5wA:
18.71
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.
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
 1.48A 3n5vA-2obhA:
undetectable
3n5vB-2obhA:
undetectable		 3n5vA-2obhA:
17.09
3n5vB-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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.38A 3n5vA-2v2fF:
undetectable
3n5vB-2v2fF:
undetectable		 3n5vA-2v2fF:
23.81
3n5vB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yt2 FIBROBLAST GROWTH
FACTOR RECEPTOR
SUBSTRATE 3 AND ALK
TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF02174
(IRS) 		4 ARG A 137
VAL A  55
TRP A  57
PHE A  87
 None
 1.44A 3n5vA-2yt2A:
undetectable
3n5vB-2yt2A:
undetectable		 3n5vA-2yt2A:
17.26
3n5vB-2yt2A:
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.
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
 1.48A 3n5vA-2ywbA:
undetectable
3n5vB-2ywbA:
undetectable		 3n5vA-2ywbA:
21.54
3n5vB-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 VAL A  64
TRP A  66
PHE A   4
GLU A   6
 None
 1.41A 3n5vA-2z11A:
undetectable
3n5vB-2z11A:
undetectable		 3n5vA-2z11A:
17.58
3n5vB-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 MET A  17
TRP A  15
PHE A 137
GLU A  16
 None
 1.33A 3n5vA-2zf8A:
undetectable
3n5vB-2zf8A:
undetectable		 3n5vA-2zf8A:
21.35
3n5vB-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 MET A1060
VAL A1106
PHE A1074
GLU A1069
 None
 1.27A 3n5vA-3ajxA:
undetectable
3n5vB-3ajxA:
undetectable		 3n5vA-3ajxA:
20.24
3n5vB-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 VAL A 314
TRP A 293
TRP A 374
GLU A 372
 None
None
None
EDO  A 404 ( 3.8A)
 1.40A 3n5vA-3b7fA:
undetectable
3n5vB-3b7fA:
undetectable		 3n5vA-3b7fA:
20.87
3n5vB-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
 1.02A 3n5vA-3d2wA:
undetectable
3n5vB-3d2wA:
undetectable		 3n5vA-3d2wA:
12.22
3n5vB-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
 1.49A 3n5vA-3ddlA:
undetectable
3n5vB-3ddlA:
undetectable		 3n5vA-3ddlA:
20.14
3n5vB-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.
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
 1.43A 3n5vA-3g0qA:
undetectable
3n5vB-3g0qA:
undetectable		 3n5vA-3g0qA:
22.03
3n5vB-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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		4 ARG A  27
VAL A  56
PHE A  67
GLU A  65
 None
 1.44A 3n5vA-3gs3A:
undetectable
3n5vB-3gs3A:
undetectable		 3n5vA-3gs3A:
20.28
3n5vB-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 ARG A  66
VAL A 387
TRP B  88
GLU A 380
 None
 1.41A 3n5vA-3gyxA:
undetectable
3n5vB-3gyxA:
undetectable		 3n5vA-3gyxA:
20.98
3n5vB-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.
3hzp NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Prochlorococcus
marinus) 		PF12707
(DUF3804) 		4 MET A  20
ARG A 118
TRP A  51
PHE A  34
 1PE  A 131 ( 3.8A)
1PE  A 131 (-3.7A)
None
1PE  A 131 (-4.5A)
 1.48A 3n5vA-3hzpA:
undetectable
3n5vB-3hzpA:
undetectable		 3n5vA-3hzpA:
14.18
3n5vB-3hzpA:
14.18
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.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 ARG X 189
VAL X 116
PHE X 214
GLU X 106
 None
 1.41A 3n5vA-3n5nX:
undetectable
3n5vB-3n5nX:
undetectable		 3n5vA-3n5nX:
19.77
3n5vB-3n5nX:
19.77
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.
3owc PROBABLE
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 ARG A 175
VAL A  92
PHE A 121
GLU A 119
 None
 1.27A 3n5vA-3owcA:
undetectable
3n5vB-3owcA:
undetectable		 3n5vA-3owcA:
16.47
3n5vB-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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 MET A 259
VAL A 169
TRP A 249
PHE A 203
 None
 1.28A 3n5vA-3q3uA:
undetectable
3n5vB-3q3uA:
undetectable		 3n5vA-3q3uA:
21.09
3n5vB-3q3uA:
21.09
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.
3q63 MLL2253 PROTEIN

(Mesorhizobium
japonicum) 		PF08327
(AHSA1) 		4 MET A 108
TRP A 128
PHE A 113
GLU A 109
 None
 1.45A 3n5vA-3q63A:
undetectable
3n5vB-3q63A:
undetectable		 3n5vA-3q63A:
13.71
3n5vB-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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 240
TRP A 239
PHE A 305
GLU A 265
 None
 1.34A 3n5vA-3ti8A:
undetectable
3n5vB-3ti8A:
undetectable		 3n5vA-3ti8A:
22.64
3n5vB-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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		4 ARG A 109
VAL A 166
PHE A 162
GLU A 156
 None
None
None
MG  A 213 (-3.2A)
 1.38A 3n5vA-3uxmA:
undetectable
3n5vB-3uxmA:
undetectable		 3n5vA-3uxmA:
20.29
3n5vB-3uxmA:
20.29
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 ARG A 388
VAL A 385
PHE A 311
GLU A 267
 None
 1.45A 3n5vA-3wa1A:
undetectable
3n5vB-3wa1A:
undetectable		 3n5vA-3wa1A:
22.22
3n5vB-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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 MET B3329
ARG B3271
VAL B3312
PHE B3270
 None
 1.43A 3n5vA-4bedB:
undetectable
3n5vB-4bedB:
undetectable		 3n5vA-4bedB:
12.96
3n5vB-4bedB:
12.96
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 VAL C2274
TRP C2314
PHE C2329
GLU C2310
 None
 1.29A 3n5vA-4bgdC:
undetectable
3n5vB-4bgdC:
undetectable		 3n5vA-4bgdC:
20.99
3n5vB-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.
4bs2 TAR DNA-BINDING
PROTEIN 43

(Homo sapiens) 		PF00076
(RRM_1) 		4 MET A 202
VAL A 220
PHE A 211
GLU A 206
 None
 1.16A 3n5vA-4bs2A:
undetectable
3n5vB-4bs2A:
undetectable		 3n5vA-4bs2A:
15.87
3n5vB-4bs2A:
15.87
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF14859
(Colicin_M) 		4 MET A 258
VAL A 265
TRP A  62
PHE A  85
 None
 1.34A 3n5vA-4g76A:
undetectable
3n5vB-4g76A:
undetectable		 3n5vA-4g76A:
19.86
3n5vB-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.
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
 1.01A 3n5vA-4l37B:
undetectable
3n5vB-4l37B:
undetectable		 3n5vA-4l37B:
20.69
3n5vB-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 ARG A 385
TRP A 387
TRP A 218
PHE A 286
 None
 1.40A 3n5vA-4mh1A:
undetectable
3n5vB-4mh1A:
undetectable		 3n5vA-4mh1A:
21.16
3n5vB-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 MET A 180
VAL A   9
PHE A  93
GLU A 183
 None
 1.20A 3n5vA-4mlnA:
undetectable
3n5vB-4mlnA:
undetectable		 3n5vA-4mlnA:
16.55
3n5vB-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
 1.26A 3n5vA-4n6wA:
undetectable
3n5vB-4n6wA:
undetectable		 3n5vA-4n6wA:
19.62
3n5vB-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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 ARG A 424
TRP A 613
PHE A  89
GLU A 406
 None
 1.40A 3n5vA-4rasA:
undetectable
3n5vB-4rasA:
undetectable		 3n5vA-4rasA:
19.02
3n5vB-4rasA:
19.02
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 4 ARG A 280
VAL A 309
TRP A 267
PHE A 268
 None
 1.09A 3n5vA-4xj5A:
undetectable
3n5vB-4xj5A:
undetectable		 3n5vA-4xj5A:
22.45
3n5vB-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 5 ARG A 276
VAL A 305
TRP A 263
PHE A 264
GLU A 266
 None
 1.19A 3n5vA-4xj6A:
undetectable
3n5vB-4xj6A:
undetectable		 3n5vA-4xj6A:
21.06
3n5vB-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 VAL A 288
TRP A 292
PHE A 277
GLU A 279
 None
 1.45A 3n5vA-4ylrA:
undetectable
3n5vB-4ylrA:
undetectable		 3n5vA-4ylrA:
22.81
3n5vB-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.
4zva DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 MET A   8
VAL A  84
TRP A  12
GLU A  11
 None
 1.33A 3n5vA-4zvaA:
undetectable
3n5vB-4zvaA:
undetectable		 3n5vA-4zvaA:
18.86
3n5vB-4zvaA:
18.86
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.
4zvb DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF11563
(Protoglobin) 		4 MET A   8
VAL A  84
TRP A  12
GLU A  11
 None
 1.42A 3n5vA-4zvbA:
undetectable
3n5vB-4zvbA:
undetectable		 3n5vA-4zvbA:
17.06
3n5vB-4zvbA:
17.06
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 ARG A 644
TRP A 185
PHE A 640
GLU A 186
 None
None
None
CA  A 801 (-2.3A)
 1.38A 3n5vA-5bv9A:
undetectable
3n5vB-5bv9A:
undetectable		 3n5vA-5bv9A:
20.31
3n5vB-5bv9A:
20.31
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		4 ARG A 505
VAL A 736
TRP A 732
GLU A 731
 None
 1.35A 3n5vA-5by3A:
undetectable
3n5vB-5by3A:
undetectable		 3n5vA-5by3A:
19.82
3n5vB-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 VAL B  28
TRP A 401
PHE A 397
GLU A 402
 None
 1.47A 3n5vA-5c6gB:
undetectable
3n5vB-5c6gB:
undetectable		 3n5vA-5c6gB:
18.69
3n5vB-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.
5d8i SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin) 		4 ARG A 125
VAL A  53
PHE A  68
GLU A 115
 None
 1.16A 3n5vA-5d8iA:
undetectable
3n5vB-5d8iA:
undetectable		 3n5vA-5d8iA:
23.33
3n5vB-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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 VAL A 481
TRP A 736
PHE A 732
GLU A 560
 None
 1.49A 3n5vA-5kqiA:
undetectable
3n5vB-5kqiA:
undetectable		 3n5vA-5kqiA:
20.85
3n5vB-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.
5ll1 URICASE

(Danio rerio) 		PF01014
(Uricase) 		4 ARG A 134
VAL A 208
TRP A 192
GLU A 246
 None
 1.11A 3n5vA-5ll1A:
undetectable
3n5vB-5ll1A:
undetectable		 3n5vA-5ll1A:
18.97
3n5vB-5ll1A:
18.97
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.
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
 1.08A 3n5vA-5m8tA:
undetectable
3n5vB-5m8tA:
undetectable		 3n5vA-5m8tA:
20.00
3n5vB-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.
5wq3 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		PF03641
(Lysine_decarbox) 		4 MET A 112
ARG A 155
VAL A 104
PHE A 159
 None
 1.41A 3n5vA-5wq3A:
undetectable
3n5vB-5wq3A:
undetectable		 3n5vA-5wq3A:
24.23
3n5vB-5wq3A:
24.23
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 4 MET A 249
VAL A 231
PHE A 258
GLU A 253
 None
 1.05A 3n5vA-5x89A:
undetectable
3n5vB-5x89A:
undetectable		 3n5vA-5x89A:
12.70
3n5vB-5x89A:
12.70
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 4 ARG A 129
VAL A  65
PHE A 113
GLU A 106
 None
 1.21A 3n5vA-5xf7A:
undetectable
3n5vB-5xf7A:
undetectable		 3n5vA-5xf7A:
10.85
3n5vB-5xf7A:
10.85
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.
5xwd VH CHAIN OF 059-152
VL CHAIN OF 059-152

(Homo sapiens) 		no annotation 4 MET H 105
VAL D  98
TRP D  91
TRP H  49
 None
 1.18A 3n5vA-5xwdH:
undetectable
3n5vB-5xwdH:
undetectable		 3n5vA-5xwdH:
9.59
3n5vB-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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 MET A 391
VAL A 429
TRP A 419
GLU A 392
 None
 1.49A 3n5vA-6fyoA:
undetectable
3n5vB-6fyoA:
undetectable		 3n5vA-6fyoA:
undetectable
3n5vB-6fyoA:
undetectable