SIMILAR PATTERNS OF AMINO ACIDS FOR 4CEV_D_GAID410_0

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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		4 ARG A 174
LEU A 194
MET A 191
ASP A 188
 None
 1.30A 4cevD-1abrA:
undetectable
4cevE-1abrA:
undetectable		 4cevD-1abrA:
24.13
4cevE-1abrA:
24.13
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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ARG A 103
HIS A  82
MET A  88
ASP A  89
 None
 1.34A 4cevD-1dlmA:
undetectable
4cevE-1dlmA:
undetectable		 4cevD-1dlmA:
23.37
4cevE-1dlmA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 ARG A 122
HIS A 179
GLU A 184
ASP A 120
 None
 1.28A 4cevD-1f82A:
undetectable
4cevE-1f82A:
undetectable		 4cevD-1f82A:
20.62
4cevE-1f82A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kmq TRANSFORMING PROTEIN
RHOA

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A 150
LEU A 114
MET A 147
ASP A 146
 None
 1.42A 4cevD-1kmqA:
undetectable
4cevE-1kmqA:
undetectable		 4cevD-1kmqA:
23.10
4cevE-1kmqA:
23.10
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 ARG A 313
GLU A 315
MET A 146
ASP A 316
 None
 1.42A 4cevD-1ny5A:
undetectable
4cevE-1ny5A:
undetectable		 4cevD-1ny5A:
23.75
4cevE-1ny5A:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 HIS A   3
GLU A 180
LEU A 173
ASP A   4
 None
 1.43A 4cevD-1oypA:
undetectable
4cevE-1oypA:
undetectable		 4cevD-1oypA:
24.61
4cevE-1oypA:
24.61
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 ARG A  38
GLU A 253
LEU A 210
ASP A 255
 SO4  A 903 (-3.8A)
SO4  A 907 ( 4.7A)
None
None
 1.30A 4cevD-1r6aA:
undetectable
4cevE-1r6aA:
undetectable		 4cevD-1r6aA:
20.69
4cevE-1r6aA:
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.
1tkp IRON-RICH
DPSA-HOMOLOG PROTEIN

(Halobacterium
salinarum) 		PF00210
(Ferritin) 		4 ARG A  26
LEU A  88
MET A  22
ASP A  23
 None
 1.34A 4cevD-1tkpA:
undetectable
4cevE-1tkpA:
undetectable		 4cevD-1tkpA:
21.96
4cevE-1tkpA:
21.96
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		4 ARG A 284
GLU A 286
LEU A 275
ASP A 280
 None
 1.48A 4cevD-1woiA:
32.6
4cevE-1woiA:
32.6		 4cevD-1woiA:
29.41
4cevE-1woiA:
29.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4

(Viscum album) 		PF00161
(RIP) 		4 ARG A 169
LEU A 189
MET A 186
ASP A 183
 None
 1.08A 4cevD-1yf8A:
undetectable
4cevE-1yf8A:
undetectable		 4cevD-1yf8A:
24.06
4cevE-1yf8A:
24.06
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 ARG A 585
LEU A 562
MET A 544
ASP A 543
 None
 1.44A 4cevD-2c11A:
undetectable
4cevE-2c11A:
undetectable		 4cevD-2c11A:
16.53
4cevE-2c11A:
16.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		4 ARG A 249
HIS A 252
GLU A 256
LEU A 298
 None
GAI  A1001 (-4.9A)
GAI  A1001 (-2.9A)
GAI  A1001 (-4.5A)
 0.19A 4cevD-2cevA:
58.0
4cevE-2cevA:
58.0		 4cevD-2cevA:
100.00
4cevE-2cevA:
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.
2dlu INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ARG A  96
HIS A  62
LEU A  64
ASP A  61
 None
 1.20A 4cevD-2dluA:
undetectable
4cevE-2dluA:
undetectable		 4cevD-2dluA:
17.29
4cevE-2dluA:
17.29
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.
2e0z VIRUS-LIKE PARTICLE

(Pyrococcus
furiosus) 		PF04454
(Linocin_M18) 		4 ARG A 138
GLU A 329
LEU A 131
ASP A 310
 None
 1.11A 4cevD-2e0zA:
undetectable
4cevE-2e0zA:
undetectable		 4cevD-2e0zA:
23.81
4cevE-2e0zA:
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		4 ARG A  11
GLU A 595
LEU A 422
ASP A 322
 None
 1.44A 4cevD-2gp4A:
undetectable
4cevE-2gp4A:
undetectable		 4cevD-2gp4A:
19.49
4cevE-2gp4A:
19.49
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.
2jtv PROTEIN OF UNKNOWN
FUNCTION

(Rhodopseudomonas
palustris) 		no annotation 4 ARG A  20
HIS A  14
LEU A  40
ASP A  12
 None
 1.48A 4cevD-2jtvA:
undetectable
4cevE-2jtvA:
undetectable		 4cevD-2jtvA:
11.90
4cevE-2jtvA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5t PUTATIVE
TRANSCRIPTIONAL
REGULATOR PEZA
PEZT

(Streptococcus
pneumoniae;
Streptococcus
pneumoniae) 		no annotation
PF06414
(Zeta_toxin) 		4 ARG B  69
GLU A  84
LEU B 161
ASP B  66
 None
 1.25A 4cevD-2p5tB:
2.5
4cevE-2p5tB:
3.2		 4cevD-2p5tB:
21.23
4cevE-2p5tB:
21.23
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE

(Burkholderia
cepacia) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ARG A 292
HIS A 291
LEU A 317
ASP A 290
 None
 1.27A 4cevD-2piaA:
2.8
4cevE-2piaA:
2.8		 4cevD-2piaA:
21.37
4cevE-2piaA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgt FUSION OF
LIM/HOMEOBOX PROTEIN
LHX3, LINKER,
INSULIN GENE
ENHANCER PROTEIN
ISL-1

(Mus musculus;
synthetic
construct) 		PF00412
(LIM) 		4 ARG A 141
LEU A 136
MET A 137
ASP A 139
 None
 0.99A 4cevD-2rgtA:
undetectable
4cevE-2rgtA:
undetectable		 4cevD-2rgtA:
18.51
4cevE-2rgtA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		4 HIS A 269
GLU A 232
LEU A 145
ASP A 138
 FE  A1351 (-3.5A)
FE  A1351 (-3.4A)
None
None
 1.43A 4cevD-2uw2A:
undetectable
4cevE-2uw2A:
undetectable		 4cevD-2uw2A:
22.41
4cevE-2uw2A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ARG A 502
LEU A 525
MET A 505
ASP A 506
 None
 1.49A 4cevD-2v5dA:
2.4
4cevE-2v5dA:
2.4		 4cevD-2v5dA:
20.32
4cevE-2v5dA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ARG A 689
HIS A 652
GLU A 655
ASP A 691
 None
 1.24A 4cevD-2vpwA:
undetectable
4cevE-2vpwA:
undetectable		 4cevD-2vpwA:
18.18
4cevE-2vpwA:
18.18
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.
2vq9 RNASE 1

(Danio rerio) 		PF00074
(RnaseA) 		4 ARG A  94
HIS A  95
LEU A  89
ASP A  43
 None
 1.28A 4cevD-2vq9A:
undetectable
4cevE-2vq9A:
undetectable		 4cevD-2vq9A:
18.69
4cevE-2vq9A:
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.20A 4cevD-2wxuA:
undetectable
4cevE-2wxuA:
undetectable		 4cevD-2wxuA:
20.78
4cevE-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ARG A 642
HIS A 740
LEU A 640
ASP A 582
 None
 1.48A 4cevD-2xvgA:
undetectable
4cevE-2xvgA:
undetectable		 4cevD-2xvgA:
15.12
4cevE-2xvgA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 ARG A  95
HIS A  94
LEU A 255
ASP A 300
 None
CU  A 400 (-3.2A)
None
None
 1.24A 4cevD-2y9xA:
undetectable
4cevE-2y9xA:
undetectable		 4cevD-2y9xA:
20.45
4cevE-2y9xA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 4 ARG A 329
HIS A  33
LEU A 239
ASP A  35
 None
 1.23A 4cevD-2yr5A:
undetectable
4cevE-2yr5A:
3.4		 4cevD-2yr5A:
18.36
4cevE-2yr5A:
18.36
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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 GLU A 338
LEU A 260
MET A 247
ASP A 342
 None
 1.43A 4cevD-3b0hA:
undetectable
4cevE-3b0hA:
undetectable		 4cevD-3b0hA:
22.88
4cevE-3b0hA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6e 50S RIBOSOMAL
PROTEIN L22P

(Haloarcula
marismortui) 		PF00237
(Ribosomal_L22) 		4 ARG R  19
LEU R  91
MET R  17
ASP R 142
 G  0 500 ( 4.3A)
None
G  0 501 ( 4.8A)
None
 1.47A 4cevD-3g6eR:
undetectable
4cevE-3g6eR:
undetectable		 4cevD-3g6eR:
21.15
4cevE-3g6eR:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 ARG A  38
GLU A 255
LEU A 212
ASP A 257
 SO4  A 268 (-3.9A)
None
None
None
 1.24A 4cevD-3gczA:
undetectable
4cevE-3gczA:
undetectable		 4cevD-3gczA:
24.49
4cevE-3gczA:
24.49
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.
3hiu UNCHARACTERIZED
PROTEIN

(Xanthomonas
campestris) 		PF05974
(DUF892) 		4 ARG A  44
HIS A 150
GLU A 149
MET A 143
 None
 1.48A 4cevD-3hiuA:
undetectable
4cevE-3hiuA:
undetectable		 4cevD-3hiuA:
23.21
4cevE-3hiuA:
23.21
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 136
HIS A 137
GLU A 142
ASP A 384
 None
 1.48A 4cevD-3hpfA:
2.1
4cevE-3hpfA:
undetectable		 4cevD-3hpfA:
20.65
4cevE-3hpfA:
20.65
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.
3i12 D-ALANINE-D-ALANINE
LIGASE A

(Salmonella
enterica) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ARG A 300
GLU A 228
LEU A 249
ASP A 302
 None
ADP  A 365 (-2.9A)
ADP  A 365 (-4.4A)
None
 1.26A 4cevD-3i12A:
2.1
4cevE-3i12A:
2.0		 4cevD-3i12A:
22.11
4cevE-3i12A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m0e TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00158
(Sigma54_activat) 		4 ARG A 313
GLU A 315
MET A 146
ASP A 316
 None
 1.43A 4cevD-3m0eA:
3.6
4cevE-3m0eA:
3.5		 4cevD-3m0eA:
25.38
4cevE-3m0eA:
25.38
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ARG A  59
HIS A  49
LEU A  77
ASP A 112
 None
 1.24A 4cevD-3m49A:
2.4
4cevE-3m49A:
undetectable		 4cevD-3m49A:
21.12
4cevE-3m49A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmk FUSION OF
LIM/HOMEOBOX PROTEIN
LHX4, LINKER,
INSULIN GENE
ENHANCER PROTEIN
ISL-2

(Mus musculus) 		PF00412
(LIM) 		4 ARG A 137
LEU A 132
MET A 133
ASP A 135
 None
 1.00A 4cevD-3mmkA:
undetectable
4cevE-3mmkA:
undetectable		 4cevD-3mmkA:
21.31
4cevE-3mmkA:
21.31
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.
3nom GLUTAMINE
CYCLOTRANSFERASE

(Zymomonas
mobilis) 		PF05096
(Glu_cyclase_2) 		4 ARG A 149
LEU A 177
MET A 141
ASP A 143
 None
 1.23A 4cevD-3nomA:
undetectable
4cevE-3nomA:
undetectable		 4cevD-3nomA:
22.04
4cevE-3nomA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 325
GLU A 445
LEU A 262
ASP A 441
 None
 1.41A 4cevD-3otnA:
undetectable
4cevE-3otnA:
undetectable		 4cevD-3otnA:
20.59
4cevE-3otnA:
20.59
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		4 ARG A  13
GLU A  13
LEU A 276
ASP A  11
 None
 1.20A 4cevD-3psgA:
undetectable
4cevE-3psgA:
undetectable		 4cevD-3psgA:
21.24
4cevE-3psgA:
21.24
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 ARG A 504
LEU A 469
MET A 507
ASP A 508
 None
 1.48A 4cevD-3rm5A:
3.1
4cevE-3rm5A:
3.5		 4cevD-3rm5A:
21.90
4cevE-3rm5A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		4 ARG A 278
HIS A 277
MET A 237
ASP A 233
 None
 1.28A 4cevD-3smaA:
undetectable
4cevE-3smaA:
undetectable		 4cevD-3smaA:
24.31
4cevE-3smaA:
24.31
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 ARG A 104
HIS A 103
LEU A 324
ASP A 376
 None
 1.21A 4cevD-3w6qA:
undetectable
4cevE-3w6qA:
undetectable		 4cevD-3w6qA:
18.87
4cevE-3w6qA:
18.87
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 ARG A 142
HIS A 143
LEU A 145
ASP A  94
 None
 1.42A 4cevD-3zgjA:
undetectable
4cevE-3zgjA:
undetectable		 4cevD-3zgjA:
25.97
4cevE-3zgjA:
25.97
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 ARG A 123
HIS A 180
GLU A 185
ASP A 121
 None
 1.23A 4cevD-3zuqA:
undetectable
4cevE-3zuqA:
undetectable		 4cevD-3zuqA:
16.30
4cevE-3zuqA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a14 KINESIN-LIKE PROTEIN
KIF7

(Homo sapiens) 		PF00225
(Kinesin) 		4 HIS A  31
GLU A  26
LEU A  22
ASP A 329
 None
 1.49A 4cevD-4a14A:
undetectable
4cevE-4a14A:
undetectable		 4cevD-4a14A:
23.92
4cevE-4a14A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hg2 METHYLTRANSFERASE
TYPE 11

(Anaeromyxobacter
dehalogenans) 		PF08241
(Methyltransf_11) 		4 ARG A 209
HIS A 208
LEU A 149
ASP A 215
 None
 1.49A 4cevD-4hg2A:
undetectable
4cevE-4hg2A:
3.2		 4cevD-4hg2A:
20.86
4cevE-4hg2A:
20.86
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.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

(Aquifex
aeolicus) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		4 ARG A 320
HIS A 325
LEU A 332
ASP A 196
 None
NI  A 401 (-3.2A)
None
None
 1.36A 4cevD-4j72A:
undetectable
4cevE-4j72A:
undetectable		 4cevD-4j72A:
22.28
4cevE-4j72A:
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.
4jg3 CATABOLITE
REPRESSION CONTROL
PROTEIN

(Pseudomonas
aeruginosa) 		PF03372
(Exo_endo_phos) 		4 ARG A 195
HIS A 156
MET A 159
ASP A 160
 None
 1.13A 4cevD-4jg3A:
undetectable
4cevE-4jg3A:
undetectable		 4cevD-4jg3A:
22.50
4cevE-4jg3A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN

(Viscum album) 		PF00161
(RIP) 		4 ARG A 175
LEU A 195
MET A 192
ASP A 189
 None
 1.06A 4cevD-4jkxA:
undetectable
4cevE-4jkxA:
undetectable		 4cevD-4jkxA:
27.18
4cevE-4jkxA:
27.18
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.
4mve UNCHARACTERIZED
PROTEIN

(Thermomonospora
curvata) 		PF14231
(GXWXG)
PF14232
(DUF4334) 		4 ARG A   6
GLU A   4
LEU A  29
ASP A   2
 None
 1.09A 4cevD-4mveA:
undetectable
4cevE-4mveA:
undetectable		 4cevD-4mveA:
21.48
4cevE-4mveA:
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 ARG B  92
HIS B  91
LEU B 247
ASP B 287
 None
CU1  B 601 (-3.2A)
None
None
 1.11A 4cevD-4ouaB:
undetectable
4cevE-4ouaB:
undetectable		 4cevD-4ouaB:
18.89
4cevE-4ouaB:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 ARG A  92
HIS A  91
LEU A 247
ASP A 287
 None
CU1  A 401 (-3.3A)
None
None
 1.15A 4cevD-4ouaA:
undetectable
4cevE-4ouaA:
undetectable		 4cevD-4ouaA:
21.31
4cevE-4ouaA:
21.31
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.
4ow4 BETA-TERFOIL
DESIGNED BY FOLDING
NUCLEUS SYMMETRIC
EXPANSION
('PHIFOIL')

(synthetic
construct) 		PF00167
(FGF) 		4 ARG A 110
GLU A  18
LEU A 132
ASP A 127
 None
 1.20A 4cevD-4ow4A:
undetectable
4cevE-4ow4A:
undetectable		 4cevD-4ow4A:
16.38
4cevE-4ow4A:
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 ARG A 531
HIS A 532
LEU A 541
ASP A 529
 SGN  A 804 (-3.1A)
None
None
None
 1.36A 4cevD-4pxqA:
undetectable
4cevE-4pxqA:
undetectable		 4cevD-4pxqA:
18.89
4cevE-4pxqA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 ARG A 492
GLU A 497
LEU A 518
ASP A 494
 None
 1.43A 4cevD-4rmfA:
undetectable
4cevE-4rmfA:
undetectable		 4cevD-4rmfA:
21.02
4cevE-4rmfA:
21.02
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.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		4 ARG A 126
LEU A 113
MET A 118
ASP A 122
 None
 1.26A 4cevD-4s1pA:
2.9
4cevE-4s1pA:
3.0		 4cevD-4s1pA:
20.93
4cevE-4s1pA:
20.93
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.
4wrn MALTOSE-BINDING
PERIPLASMIC
PROTEIN,UROMODULIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		4 ARG A 559
LEU A 601
MET A 590
ASP A 592
 None
 1.09A 4cevD-4wrnA:
undetectable
4cevE-4wrnA:
undetectable		 4cevD-4wrnA:
18.52
4cevE-4wrnA:
18.52
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ARG A 502
LEU A 525
MET A 505
ASP A 506
 None
 1.40A 4cevD-4zxlA:
2.4
4cevE-4zxlA:
2.2		 4cevD-4zxlA:
19.57
4cevE-4zxlA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxs VIRION EGRESS
PROTEIN UL31

(Human
alphaherpesvirus
1) 		PF02718
(Herpes_UL31) 		4 ARG B 257
LEU B 185
MET B 214
ASP B 207
 None
 1.44A 4cevD-4zxsB:
undetectable
4cevE-4zxsB:
undetectable		 4cevD-4zxsB:
22.39
4cevE-4zxsB:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 HIS A 350
GLU A 401
LEU A 396
ASP A 399
 None
 1.41A 4cevD-5a0zA:
undetectable
4cevE-5a0zA:
undetectable		 4cevD-5a0zA:
17.29
4cevE-5a0zA:
17.29
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 ARG A 867
GLU A1116
LEU A 855
MET A 843
 None
 1.22A 4cevD-5aorA:
3.7
4cevE-5aorA:
3.4		 4cevD-5aorA:
11.87
4cevE-5aorA:
11.87
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		4 ARG A 184
HIS A 185
LEU A 208
ASP A 205
 EDO  A 302 ( 4.4A)
THM  A 306 (-4.4A)
None
EDO  A 302 (-3.4A)
 1.02A 4cevD-5bszA:
4.4
4cevE-5bszA:
4.5		 4cevD-5bszA:
25.87
4cevE-5bszA:
25.87
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.
5c33 RYANODINE RECEPTOR 2

(Mus musculus) 		PF00622
(SPRY) 		4 ARG A 801
LEU A 677
MET A 678
ASP A 680
 None
 1.28A 4cevD-5c33A:
undetectable
4cevE-5c33A:
undetectable		 4cevD-5c33A:
21.25
4cevE-5c33A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 ARG A 472
GLU A 562
LEU A 513
ASP A 561
 None
 1.47A 4cevD-5cjuA:
1.6
4cevE-5cjuA:
undetectable		 4cevD-5cjuA:
14.61
4cevE-5cjuA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ARG A 879
HIS A 878
GLU A 894
ASP A 892
 None
 1.46A 4cevD-5dkxA:
undetectable
4cevE-5dkxA:
undetectable		 4cevD-5dkxA:
14.39
4cevE-5dkxA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		4 ARG A  38
GLU A 252
LEU A 209
ASP A 254
 SO4  A 303 (-4.0A)
None
None
None
 1.32A 4cevD-5ikmA:
undetectable
4cevE-5ikmA:
undetectable		 4cevD-5ikmA:
21.86
4cevE-5ikmA:
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.
5loa MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF16654
(DAPDH_C) 		4 ARG A 283
HIS A 286
MET A  28
ASP A  27
 None
 1.29A 4cevD-5loaA:
undetectable
4cevE-5loaA:
undetectable		 4cevD-5loaA:
21.78
4cevE-5loaA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 HIS A1635
LEU A1610
MET A1609
ASP A1608
 None
 1.28A 4cevD-5m5pA:
4.7
4cevE-5m5pA:
4.0		 4cevD-5m5pA:
10.25
4cevE-5m5pA:
10.25
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		4 ARG A  43
GLU A  73
LEU A  70
ASP A 120
 None
 1.35A 4cevD-5nagA:
undetectable
4cevE-5nagA:
undetectable		 4cevD-5nagA:
22.51
4cevE-5nagA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		4 GLU A 273
LEU A 276
MET A 363
ASP A 366
 None
 1.50A 4cevD-5u09A:
2.5
4cevE-5u09A:
2.5		 4cevD-5u09A:
20.40
4cevE-5u09A:
20.40
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 4 ARG A 110
HIS A 111
LEU A  95
ASP A 103
 None
 1.43A 4cevD-5u2oA:
undetectable
4cevE-5u2oA:
undetectable		 4cevD-5u2oA:
undetectable
4cevE-5u2oA:
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.
5uc2 DOMAIN OF UNKNOWN
FUNCTION DUF1849

(Brucella
abortus) 		PF08904
(DUF1849) 		4 ARG A  37
HIS A  36
LEU A 263
ASP A 267
 None
EDO  A 303 (-4.7A)
None
None
 1.11A 4cevD-5uc2A:
undetectable
4cevE-5uc2A:
undetectable		 4cevD-5uc2A:
21.81
4cevE-5uc2A:
21.81
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		4 ARG A 438
GLU A 323
LEU A 326
ASP A 421
 None
 1.01A 4cevD-5w1uA:
1.7
4cevE-5w1uA:
1.8		 4cevD-5w1uA:
21.39
4cevE-5w1uA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF00076
(RRM_1)
PF03828
(PAP_assoc) 		4 ARG A 481
GLU A 401
LEU A 398
ASP A 478
 None
 1.27A 4cevD-5wu6A:
undetectable
4cevE-5wu6A:
undetectable		 4cevD-5wu6A:
20.66
4cevE-5wu6A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 4 ARG A 262
LEU A 196
MET A 162
ASP A 164
 None
 1.30A 4cevD-5yapA:
3.2
4cevE-5yapA:
3.2		 4cevD-5yapA:
undetectable
4cevE-5yapA:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 4 ARG A 399
HIS A 403
LEU A 372
ASP A 401
 None
 1.39A 4cevD-6cmzA:
undetectable
4cevE-6cmzA:
undetectable		 4cevD-6cmzA:
undetectable
4cevE-6cmzA:
undetectable