SIMILAR PATTERNS OF AMINO ACIDS FOR 4XR4_B_AG2B511

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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 VAL A 484
PHE A 320
ARG A 283
None
0.85A 4xr4B-1asoA:
undetectable
4xr4B-1asoA:
22.09
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.
1bvs PROTEIN (HOLLIDAY
JUNCTION DNA
HELICASE RUVA)


(Mycobacterium
leprae)
PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5)
3 VAL A  28
PHE A  62
ARG A  68
None
0.92A 4xr4B-1bvsA:
undetectable
4xr4B-1bvsA:
22.44
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.
1ez4 LACTATE
DEHYDROGENASE


(Lactobacillus
pentosus)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
3 VAL A 121
PHE A 129
ARG A 157
None
0.89A 4xr4B-1ez4A:
7.4
4xr4B-1ez4A:
21.01
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
3 VAL A 135
PHE A 128
ARG A 301
None
0.92A 4xr4B-1f82A:
undetectable
4xr4B-1f82A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g6g PROTEIN KINASE RAD53

(Saccharomyces
cerevisiae)
PF00498
(FHA)
3 VAL A 132
PHE A  68
ARG A  46
None
0.82A 4xr4B-1g6gA:
undetectable
4xr4B-1g6gA:
12.50
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.
1gxn PECTATE LYASE

(Cellvibrio
japonicus)
PF09492
(Pec_lyase)
3 VAL A 424
PHE A 476
ARG A 417
None
0.93A 4xr4B-1gxnA:
undetectable
4xr4B-1gxnA:
22.13
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.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1


(Escherichia
coli)
PF05785
(CNF1)
3 VAL A 856
PHE A 758
ARG A 777
None
0.65A 4xr4B-1hq0A:
undetectable
4xr4B-1hq0A:
20.33
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.
1itz TRANSKETOLASE

(Zea mays)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 VAL A 636
PHE A 596
ARG A 496
None
0.96A 4xr4B-1itzA:
undetectable
4xr4B-1itzA:
21.67
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE


(Pseudomonas
putida)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
3 VAL A 323
PHE A 334
ARG A 315
None
0.94A 4xr4B-1lvlA:
4.0
4xr4B-1lvlA:
23.68
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE


(Methylococcus
capsulatus)
PF02332
(Phenol_Hydrox)
3 VAL D 154
PHE D  79
ARG D 146
None
0.99A 4xr4B-1mtyD:
undetectable
4xr4B-1mtyD:
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN


(Homo sapiens)
PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
3 VAL A 443
PHE A 409
ARG A 435
None
0.84A 4xr4B-1nowA:
undetectable
4xr4B-1nowA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)


(Ascophyllum
nodosum)
no annotation 3 VAL A 213
PHE A 152
ARG A 196
None
0.81A 4xr4B-1qi9A:
undetectable
4xr4B-1qi9A:
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.
1r71 TRANSCRIPTIONAL
REPRESSOR PROTEIN
KORB


(Escherichia
coli)
PF08535
(KorB)
3 VAL A 217
PHE A 202
ARG A 155
None
0.81A 4xr4B-1r71A:
undetectable
4xr4B-1r71A:
18.61
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.
1szi MANNOSE-6-PHOSPHATE
RECEPTOR BINDING
PROTEIN 1


(Mus musculus)
PF03036
(Perilipin)
3 VAL A 390
PHE A 334
ARG A 335
None
0.89A 4xr4B-1sziA:
undetectable
4xr4B-1sziA:
23.00
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli)
PF01048
(PNP_UDP_1)
PF10423
(AMNp_N)
3 VAL A 126
PHE A 146
ARG A  47
None
0.98A 4xr4B-1t8wA:
undetectable
4xr4B-1t8wA:
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.
1urj MAJOR DNA-BINDING
PROTEIN


(Human
alphaherpesvirus
1)
PF00747
(Viral_DNA_bp)
3 VAL A  65
PHE A  61
ARG A 193
None
0.93A 4xr4B-1urjA:
undetectable
4xr4B-1urjA:
18.37
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.
1v4p ALANYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
no annotation 3 VAL A  44
PHE A 137
ARG A  48
None
0.84A 4xr4B-1v4pA:
undetectable
4xr4B-1v4pA:
14.16
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN


(Escherichia
coli)
PF04257
(Exonuc_V_gamma)
3 VAL C  12
PHE C 326
ARG C 272
None
0.86A 4xr4B-1w36C:
undetectable
4xr4B-1w36C:
19.48
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.
1xtj PROBABLE
ATP-DEPENDENT RNA
HELICASE P47


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
3 VAL A 238
PHE A 215
ARG A 216
None
0.94A 4xr4B-1xtjA:
2.3
4xr4B-1xtjA:
22.55
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.
1zbx ORIGIN RECOGNITION
COMPLEX SUBUNIT 1


(Saccharomyces
cerevisiae)
PF01426
(BAH)
3 VAL A  96
PHE A 105
ARG A 174
None
0.88A 4xr4B-1zbxA:
undetectable
4xr4B-1zbxA:
19.24
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.
2a3d PROTEIN (DE NOVO
THREE-HELIX BUNDLE)


(synthetic
construct)
no annotation 3 VAL A  53
PHE A  38
ARG A  10
None
0.92A 4xr4B-2a3dA:
undetectable
4xr4B-2a3dA:
11.16
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN


(Thermotoga
maritima)
PF08241
(Methyltransf_11)
3 VAL A 241
PHE A  35
ARG A 227
None
0.87A 4xr4B-2avnA:
3.2
4xr4B-2avnA:
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.
2b4i OUTER CAPSID PROTEIN
VP4


(Rotavirus A)
PF17477
(Rota_VP4_MID)
3 VAL A 368
PHE A 362
ARG A 269
None
0.86A 4xr4B-2b4iA:
undetectable
4xr4B-2b4iA:
22.15
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.
2c0k HEMOGLOBIN

(Gasterophilus
intestinalis)
PF00042
(Globin)
3 VAL A   6
PHE A  86
ARG A 138
None
0.86A 4xr4B-2c0kA:
undetectable
4xr4B-2c0kA:
16.44
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82


(Saccharomyces
cerevisiae)
PF00183
(HSP90)
PF02518
(HATPase_c)
3 VAL A 498
PHE A 487
ARG A 579
None
0.71A 4xr4B-2cg9A:
undetectable
4xr4B-2cg9A:
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.
2d1c ISOCITRATE
DEHYDROGENASE


(Thermus
thermophilus)
PF00180
(Iso_dh)
3 VAL A 219
PHE A 237
ARG A 233
None
0.90A 4xr4B-2d1cA:
4.8
4xr4B-2d1cA:
22.90
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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens)
PF00067
(p450)
3 VAL A 104
PHE A 120
ARG A 441
None
HEM  A 600 (-4.6A)
HEM  A 600 (-3.5A)
0.97A 4xr4B-2f9qA:
undetectable
4xr4B-2f9qA:
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A


(Homo sapiens)
no annotation 3 VAL N 443
PHE N 409
ARG N 435
None
0.95A 4xr4B-2gk1N:
undetectable
4xr4B-2gk1N:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus)
PF01432
(Peptidase_M3)
3 VAL A 427
PHE A 485
ARG A 203
None
0.89A 4xr4B-2h1nA:
undetectable
4xr4B-2h1nA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hke DIPHOSPHOMEVALONATE
DECARBOXYLASE,
PUTATIVE


(Trypanosoma
brucei)
PF00288
(GHMP_kinases_N)
3 VAL A 185
PHE A  16
ARG A 149
None
0.88A 4xr4B-2hkeA:
undetectable
4xr4B-2hkeA:
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.
2k06 TRANSCRIPTION
ANTITERMINATION
PROTEIN NUSG


(Escherichia
coli)
PF02357
(NusG)
3 VAL A  11
PHE A  65
ARG A 114
None
0.94A 4xr4B-2k06A:
undetectable
4xr4B-2k06A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nmp CYSTATHIONINE
GAMMA-LYASE


(Homo sapiens)
PF01053
(Cys_Met_Meta_PP)
3 VAL A  25
PHE A  18
ARG A 197
None
0.77A 4xr4B-2nmpA:
2.4
4xr4B-2nmpA:
22.92
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
3 VAL A 135
PHE A 128
ARG A 301
None
0.95A 4xr4B-2np0A:
undetectable
4xr4B-2np0A:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2om6 PROBABLE
PHOSPHOSERINE
PHOSPHATASE


(Pyrococcus
horikoshii)
PF13419
(HAD_2)
3 VAL A  65
PHE A 126
ARG A  48
None
None
SO4  A1300 (-2.5A)
0.64A 4xr4B-2om6A:
5.1
4xr4B-2om6A:
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.
2ox4 PUTATIVE MANDELATE
RACEMASE


(Zymomonas
mobilis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 VAL A 167
PHE A 233
ARG A 201
None
0.98A 4xr4B-2ox4A:
undetectable
4xr4B-2ox4A:
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.
2p5u UDP-GLUCOSE
4-EPIMERASE


(Thermus
thermophilus)
PF01370
(Epimerase)
3 VAL A 113
PHE A 232
ARG A  23
None
0.95A 4xr4B-2p5uA:
8.3
4xr4B-2p5uA:
23.16
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.
2re3 UNCHARACTERIZED
PROTEIN


(Ruegeria
pomeroyi)
PF06938
(DUF1285)
3 VAL A  80
PHE A  36
ARG A  76
None
0.90A 4xr4B-2re3A:
undetectable
4xr4B-2re3A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA


(Desulfovibrio
vulgaris)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
3 VAL A  80
PHE A 153
ARG B  17
None
0.95A 4xr4B-2v4jA:
undetectable
4xr4B-2v4jA:
23.71
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens)
PF01839
(FG-GAP)
PF13517
(VCBS)
3 VAL A 445
PHE A  25
ARG A 422
None
0.90A 4xr4B-2vc2A:
undetectable
4xr4B-2vc2A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9f CYTOCHROME C

(Chlorobaculum
tepidum)
PF10643
(Cytochrome-c551)
3 VAL A 148
PHE A 165
ARG A 166
None
0.92A 4xr4B-3a9fA:
undetectable
4xr4B-3a9fA:
16.78
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1)
no annotation 3 VAL A 427
PHE A 485
ARG A 203
None
0.86A 4xr4B-3ahmA:
undetectable
4xr4B-3ahmA:
22.93
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1


(Saccharomyces
cerevisiae)
PF00128
(Alpha-amylase)
3 VAL A 109
PHE A 178
ARG A 442
None
GLC  A 601 (-3.4A)
GLC  A 601 (-2.9A)
0.87A 4xr4B-3axiA:
undetectable
4xr4B-3axiA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b12 FLUOROACETATE
DEHALOGENASE


(Burkholderia
sp.)
PF00561
(Abhydrolase_1)
3 VAL A 143
PHE A 136
ARG A 108
None
None
FAH  A 501 (-4.1A)
0.94A 4xr4B-3b12A:
3.7
4xr4B-3b12A:
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE


(Mus musculus)
PF05889
(SepSecS)
3 VAL A 406
PHE A 422
ARG A 169
None
0.96A 4xr4B-3bc8A:
3.6
4xr4B-3bc8A:
22.00
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.
3bpv TRANSCRIPTIONAL
REGULATOR


(Methanothermobacter
thermautotrophicus)
PF01047
(MarR)
3 VAL A 139
PHE A  56
ARG A  44
None
0.69A 4xr4B-3bpvA:
undetectable
4xr4B-3bpvA:
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.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE


(Bacillus
thuringiensis)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 VAL A 132
PHE A 282
ARG A  92
None
0.84A 4xr4B-3gmsA:
4.7
4xr4B-3gmsA:
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.
3gn3 PUTATIVE
PROTEIN-DISULFIDE
ISOMERASE


(Pseudomonas
syringae group
genomosp. 3)
PF13462
(Thioredoxin_4)
3 VAL A  62
PHE A  94
ARG A 115
None
0.94A 4xr4B-3gn3A:
undetectable
4xr4B-3gn3A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hib PRE-MRNA-SPLICING
HELICASE BRR2


(Saccharomyces
cerevisiae)
PF02889
(Sec63)
3 VAL A1926
PHE A1943
ARG A1895
None
0.95A 4xr4B-3hibA:
undetectable
4xr4B-3hibA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kza BETA-LACTOGLOBULIN

(Bos taurus;
Equus caballus)
PF00061
(Lipocalin)
3 VAL A 123
PHE A 136
ARG A 148
None
0.93A 4xr4B-3kzaA:
undetectable
4xr4B-3kzaA:
16.29
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.
3mlp TRANSCRIPTION FACTOR
COE1


(Mus musculus)
PF01833
(TIG)
PF16422
(COE1_DBD)
PF16423
(COE1_HLH)
3 VAL A 305
PHE A 335
ARG A 310
None
0.76A 4xr4B-3mlpA:
undetectable
4xr4B-3mlpA:
18.70
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.
3mn8 LP15968P

(Drosophila
melanogaster)
PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg)
3 VAL A 206
PHE A 177
ARG A 194
None
0.79A 4xr4B-3mn8A:
undetectable
4xr4B-3mn8A:
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.
3nj2 DUF269-CONTAINING
PROTEIN


(Cyanothece sp.
ATCC 51142)
PF03270
(DUF269)
3 VAL A 112
PHE A 142
ARG A  88
None
0.88A 4xr4B-3nj2A:
undetectable
4xr4B-3nj2A:
16.92
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.
3nsj PERFORIN-1

(Mus musculus)
PF00168
(C2)
PF01823
(MACPF)
3 VAL A 481
PHE A 518
ARG A 498
None
None
CL  A 720 (-3.9A)
0.94A 4xr4B-3nsjA:
undetectable
4xr4B-3nsjA:
22.24
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica)
PF00390
(malic)
PF03949
(Malic_M)
3 VAL A 361
PHE A 393
ARG A 397
None
0.92A 4xr4B-3nv9A:
5.0
4xr4B-3nv9A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o7o ENDOGLUCANASE

(Thermotoga
maritima)
PF01670
(Glyco_hydro_12)
3 VAL A 134
PHE A 224
ARG A 200
None
0.97A 4xr4B-3o7oA:
undetectable
4xr4B-3o7oA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oa6 MALE-SPECIFIC LETHAL
3 HOMOLOG


(Homo sapiens)
PF11717
(Tudor-knot)
3 VAL A  36
PHE A  56
ARG A  65
None
MLZ  G  20 ( 3.8A)
None
0.84A 4xr4B-3oa6A:
undetectable
4xr4B-3oa6A:
11.81
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.
3ob9 MALE-SPECIFIC LETHAL
3-LIKE 1
(DROSOPHILA),
ISOFORM CRA_C


(Homo sapiens)
PF11717
(Tudor-knot)
3 VAL A  36
PHE A  56
ARG A  65
None
NHE  A 540 (-3.5A)
None
0.98A 4xr4B-3ob9A:
undetectable
4xr4B-3ob9A:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p3q MMOQ

(Methylococcus
capsulatus)
PF08668
(HDOD)
3 VAL A  89
PHE A 104
ARG A  70
None
0.68A 4xr4B-3p3qA:
undetectable
4xr4B-3p3qA:
23.52
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.
3phf ENVELOPE
GLYCOPROTEIN H
ENVELOPE
GLYCOPROTEIN L


(Human
gammaherpesvirus
4)
no annotation 3 VAL B 120
PHE A 211
ARG A  71
None
0.93A 4xr4B-3phfB:
undetectable
4xr4B-3phfB:
13.32
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.
3psf TRANSCRIPTION
ELONGATION FACTOR
SPT6


(Saccharomyces
cerevisiae)
PF14635
(HHH_7)
PF14639
(YqgF)
PF14641
(HTH_44)
PF14878
(DLD)
3 VAL A 548
PHE A 689
ARG A 690
None
0.93A 4xr4B-3psfA:
undetectable
4xr4B-3psfA:
18.48
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.
3rsc CALG2

(Micromonospora
echinospora)
PF04101
(Glyco_tran_28_C)
3 VAL A 299
PHE A 246
ARG A 242
None
None
PO4  A 399 (-3.7A)
0.87A 4xr4B-3rscA:
6.5
4xr4B-3rscA:
23.62
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.
3wic GLUCOSE
1-DEHYDROGENASE


(Thermoplasma
volcanium)
PF08240
(ADH_N)
PF16912
(Glu_dehyd_C)
3 VAL A 250
PHE A 168
ARG A 208
None
0.85A 4xr4B-3wicA:
5.8
4xr4B-3wicA:
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
3 VAL A 102
PHE A 166
ARG A 400
None
BGC  A 605 ( 3.8A)
BGC  A 605 (-3.0A)
0.83A 4xr4B-3wy2A:
undetectable
4xr4B-3wy2A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuq BOTULINUM NEUROTOXIN
TYPE B


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07952
(Toxin_trans)
3 VAL A 136
PHE A 129
ARG A 302
None
0.94A 4xr4B-3zuqA:
undetectable
4xr4B-3zuqA:
19.27
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA


(Rattus
norvegicus)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
3 VAL A 130
PHE A 402
ARG A 123
None
0.97A 4xr4B-4aw2A:
undetectable
4xr4B-4aw2A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwf UBIQUITIN-CONJUGATIN
G ENZYME E2-21 KDA


(Saccharomyces
cerevisiae)
PF00179
(UQ_con)
3 VAL A 107
PHE A 173
ARG A 177
None
EDO  A1180 (-4.8A)
None
0.93A 4xr4B-4bwfA:
undetectable
4xr4B-4bwfA:
16.03
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.
4czd PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY


(Desulfovibrio
desulfuricans)
no annotation 3 VAL B  12
PHE B   5
ARG B  47
None
0.84A 4xr4B-4czdB:
undetectable
4xr4B-4czdB:
16.99
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis)
PF00400
(WD40)
3 VAL B 293
PHE B 281
ARG B 282
None
0.85A 4xr4B-4g56B:
undetectable
4xr4B-4g56B:
24.29
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.
4hec -

(-)
PF16473
(DUF5051)
3 VAL A   2
PHE A   5
ARG A 155
None
0.87A 4xr4B-4hecA:
undetectable
4xr4B-4hecA:
17.47
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.
4m0v EXONUCLEASE SUBUNIT
SBCD


(Escherichia
coli)
PF00149
(Metallophos)
PF12320
(SbcD_C)
3 VAL A 104
PHE A  50
ARG A  60
None
None
GOL  A 401 (-3.9A)
0.94A 4xr4B-4m0vA:
undetectable
4xr4B-4m0vA:
22.89
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE


(Thermomonospora
curvata)
PF01580
(FtsK_SpoIIIE)
3 VAL A 527
PHE A 518
ARG A 490
None
0.88A 4xr4B-4nh0A:
undetectable
4xr4B-4nh0A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pn0 MRNA-CAPPING ENZYME
SUBUNIT BETA


(Schizosaccharomyces
pombe)
PF02940
(mRNA_triPase)
3 VAL A 230
PHE A 135
ARG A 136
None
0.88A 4xr4B-4pn0A:
undetectable
4xr4B-4pn0A:
21.99
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.
4pyz UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
3 VAL A 685
PHE A 688
ARG A 634
None
0.72A 4xr4B-4pyzA:
undetectable
4xr4B-4pyzA:
21.21
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.
4qku HYDROLASE

(Burkholderia
cenocepacia)
PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N)
3 VAL A  57
PHE A  36
ARG A  97
None
0.94A 4xr4B-4qkuA:
undetectable
4xr4B-4qkuA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
3 VAL A 556
PHE A 544
ARG A 585
None
0.92A 4xr4B-4rf7A:
undetectable
4xr4B-4rf7A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wph UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
3 VAL A 685
PHE A 688
ARG A 634
None
0.65A 4xr4B-4wphA:
undetectable
4xr4B-4wphA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE


(Mycolicibacterium
smegmatis)
PF00933
(Glyco_hydro_3)
3 VAL A 271
PHE A 305
ARG A 376
None
0.72A 4xr4B-4yyfA:
undetectable
4xr4B-4yyfA:
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.
4z48 UNCHARACTERIZED
PROTEIN


(Desulfovibrio
piger)
PF17131
(LolA_like)
3 VAL A 117
PHE A  90
ARG A  68
None
None
IOD  A 301 (-4.5A)
0.98A 4xr4B-4z48A:
undetectable
4xr4B-4z48A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z96 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
PF14533
(USP7_C2)
3 VAL A 685
PHE A 688
ARG A 634
None
0.66A 4xr4B-4z96A:
undetectable
4xr4B-4z96A:
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE


(Homo sapiens)
PF05889
(SepSecS)
3 VAL A 406
PHE A 422
ARG A 169
None
0.95A 4xr4B-4zdlA:
3.5
4xr4B-4zdlA:
23.13
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK


(Cupriavidus
necator)
PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
3 VAL A  67
PHE C 127
ARG C 501
None
None
NFU  C 701 (-4.6A)
0.80A 4xr4B-5aa5A:
undetectable
4xr4B-5aa5A:
21.68
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.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
3 VAL A 685
PHE A 688
ARG A 634
VAL  A 685 ( 0.6A)
PHE  A 688 ( 1.3A)
ARG  A 634 ( 0.6A)
0.71A 4xr4B-5c6dA:
undetectable
4xr4B-5c6dA:
20.37
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.
5d04 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE


(Neisseria
meningitidis)
PF00793
(DAHP_synth_1)
3 VAL C 260
PHE C 187
ARG C 175
None
None
CL  C 402 (-2.9A)
0.68A 4xr4B-5d04C:
undetectable
4xr4B-5d04C:
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.
5epo 7-ALPHA-HYDROXYSTERO
ID DEYDROGENASE


(Clostridium
sardiniense)
PF13561
(adh_short_C2)
3 VAL A  96
PHE A 204
ARG A 205
None
TUD  A 302 (-4.8A)
None
0.97A 4xr4B-5epoA:
9.4
4xr4B-5epoA:
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.
5ew5 COLICIN-E9

(Escherichia
coli)
PF03515
(Cloacin)
3 VAL A 317
PHE A 498
ARG A 502
None
0.95A 4xr4B-5ew5A:
undetectable
4xr4B-5ew5A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fku DNA POLYMERASE III
SUBUNIT ALPHA


(Escherichia
coli)
PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
3 VAL A 217
PHE A 210
ARG A 175
None
0.97A 4xr4B-5fkuA:
undetectable
4xr4B-5fkuA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF00443
(UCH)
PF12436
(USP7_ICP0_bdg)
3 VAL A 685
PHE A 688
ARG A 634
None
0.66A 4xr4B-5j7tA:
undetectable
4xr4B-5j7tA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7l ELP3 FAMILY, ELP3
FAMILY


(Dehalococcoides
mccartyi)
PF04055
(Radical_SAM)
PF16199
(Radical_SAM_C)
3 VAL A 156
PHE A  87
ARG A 147
None
0.87A 4xr4B-5l7lA:
undetectable
4xr4B-5l7lA:
24.14
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1


(Sorangium
cellulosum)
PF00067
(p450)
3 VAL A 349
PHE A  88
ARG A 214
None
0.91A 4xr4B-5livA:
undetectable
4xr4B-5livA:
23.31
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
3 VAL A 105
PHE A  42
ARG A  96
None
0.92A 4xr4B-5mdnA:
undetectable
4xr4B-5mdnA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)


(Globodera
pallida)
no annotation 3 VAL B 246
PHE B 249
ARG B 263
None
0.91A 4xr4B-5oetB:
undetectable
4xr4B-5oetB:
10.88
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.
5t2s DDK KINASE
REGULATORY SUBUNIT
DBF4,SERINE/THREONIN
E-PROTEIN KINASE
RAD53


(Saccharomyces
cerevisiae)
PF00498
(FHA)
PF08630
(Dfp1_Him1_M)
3 VAL A 335
PHE A 271
ARG A 249
None
0.93A 4xr4B-5t2sA:
undetectable
4xr4B-5t2sA:
18.75
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.
5ti1 FUMARYLACETOACETATE
HYDROLASE


(Paraburkholderia
xenovorans)
PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N)
3 VAL A  58
PHE A  36
ARG A 101
None
0.95A 4xr4B-5ti1A:
undetectable
4xr4B-5ti1A:
22.70
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.
5xbt PROBABLE
TRANSCRIPTIONAL
REGULATOR


(Pseudomonas
aeruginosa)
no annotation 3 VAL A 168
PHE A 130
ARG A 127
None
PEG  A 305 (-3.4A)
PEG  A 305 (-4.0A)
0.63A 4xr4B-5xbtA:
undetectable
4xr4B-5xbtA:
10.22
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.
5xfa NAD-REDUCING
HYDROGENASE


(Hydrogenophilus
thermoluteolus)
PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
3 VAL C 130
PHE D  57
ARG C 105
None
0.98A 4xr4B-5xfaC:
3.5
4xr4B-5xfaC:
17.89
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM


(Saccharomyces
cerevisiae)
no annotation 3 VAL A 216
PHE A 151
ARG A 270
None
0.90A 4xr4B-6c6lA:
undetectable
4xr4B-6c6lA:
11.38
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE


(Pseudomonas
putida)
no annotation 3 VAL A 225
PHE A 239
ARG A 220
None
0.91A 4xr4B-6dllA:
2.7
4xr4B-6dllA:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6egt GLYCOPROTEIN

(Rift Valley
fever
phlebovirus)
no annotation 3 VAL A 999
PHE A 903
ARG A 985
None
0.81A 4xr4B-6egtA:
undetectable
4xr4B-6egtA:
22.89
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE


(Mycolicibacterium
smegmatis)
no annotation 3 VAL A 358
PHE A 312
ARG A 313
None
0.98A 4xr4B-6fv4A:
2.4
4xr4B-6fv4A:
13.14
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.
6h25 -

(-)
no annotation 3 VAL D 155
PHE D 221
ARG D 190
None
0.80A 4xr4B-6h25D:
undetectable
4xr4B-6h25D:
undetectable