SIMILAR PATTERNS OF AMINO ACIDS FOR 2M56_A_CAMA502_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.
1d6h CHALCONE SYNTHASE

(Medicago sativa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 PHE A 373
LEU A 310
VAL A 313
VAL A 369
None
1.20A 2m56A-1d6hA:
0.0
2m56A-1d6hA:
22.75
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius)
PF07859
(Abhydrolase_3)
4 PHE A 121
TYR A 218
LEU A 160
VAL A 163
None
1.20A 2m56A-1evqA:
0.0
2m56A-1evqA:
24.59
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.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN


(Physarum
polycephalum)
PF13202
(EF-hand_5)
4 PHE A 344
LEU A 311
VAL A 310
VAL A 286
None
1.17A 2m56A-1ij5A:
0.0
2m56A-1ij5A:
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.
1lfp HYPOTHETICAL PROTEIN
AQ_1575


(Aquifex
aeolicus)
PF01709
(Transcrip_reg)
4 PHE A 117
LEU A 222
VAL A 234
VAL A 130
None
0.90A 2m56A-1lfpA:
0.0
2m56A-1lfpA:
22.05
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus)
PF00291
(PALP)
4 TYR A 278
LEU A  19
VAL A 300
VAL A 266
None
1.22A 2m56A-1pweA:
0.0
2m56A-1pweA:
23.35
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.
1s7h YKOF

(Bacillus
subtilis)
PF07615
(Ykof)
4 PHE A  59
LEU A 187
VAL A 185
VAL A 170
None
1.14A 2m56A-1s7hA:
0.0
2m56A-1s7hA:
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus)
PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc)
4 PHE A 564
LEU A 560
VAL A 449
VAL A 783
None
1.16A 2m56A-1taqA:
0.0
2m56A-1taqA:
19.42
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.
1tw9 GLUTATHIONE
S-TRANSFERASE 2


(Heligmosomoides
polygyrus)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 PHE A 132
LEU A 148
VAL A 156
VAL A 164
None
1.21A 2m56A-1tw9A:
0.0
2m56A-1tw9A:
19.56
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.
1wk4 TTK003001606

(Thermus
thermophilus)
PF00583
(Acetyltransf_1)
4 PHE A 139
TYR A 140
LEU A  91
VAL A  96
MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
1.22A 2m56A-1wk4A:
undetectable
2m56A-1wk4A:
18.67
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides)
PF06330
(TRI5)
4 TYR A  93
LEU A 150
VAL A 138
VAL A  81
SAZ  A 709 (-4.9A)
None
None
None
0.94A 2m56A-1yyrA:
undetectable
2m56A-1yyrA:
22.12
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A


(Escherichia
coli)
PF03562
(MltA)
PF06725
(3D)
4 TYR X  61
LEU X  53
VAL X 250
VAL X 258
None
1.14A 2m56A-2ae0X:
undetectable
2m56A-2ae0X:
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.
2ajh LEUCYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF13603
(tRNA-synt_1_2)
4 PHE A 253
LEU A 259
VAL A 245
VAL A 408
None
1.07A 2m56A-2ajhA:
undetectable
2m56A-2ajhA:
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.
2awa DNA POLYMERASE III,
BETA CHAIN


(Streptococcus
pneumoniae)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 PHE A  11
LEU A  77
VAL A  34
VAL A  38
None
0.93A 2m56A-2awaA:
undetectable
2m56A-2awaA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN


(Torpedo
marmorata)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 PHE A 205
TYR A 181
LEU A  35
VAL A  50
None
1.14A 2m56A-2bg9A:
undetectable
2m56A-2bg9A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7b CARBOXYLESTERASE

(uncultured
archaeon)
PF07859
(Abhydrolase_3)
4 PHE A 120
TYR A 218
LEU A 159
VAL A 162
None
1.13A 2m56A-2c7bA:
undetectable
2m56A-2c7bA:
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA


(Escherichia
coli)
PF00282
(Pyridoxal_deC)
4 PHE A 380
TYR A 363
LEU A 360
VAL A 406
None
1.21A 2m56A-2dgkA:
undetectable
2m56A-2dgkA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgk GLUTAMATE
DECARBOXYLASE BETA


(Escherichia
coli)
PF00282
(Pyridoxal_deC)
4 PHE A 380
TYR A 363
LEU A 445
VAL A 406
None
1.12A 2m56A-2dgkA:
undetectable
2m56A-2dgkA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0a TRANSCRIPTIONAL
REGULATOR


(Thermus
thermophilus)
PF13377
(Peripla_BP_3)
4 PHE A  77
TYR A  78
VAL A 148
VAL A 197
None
1.23A 2m56A-2h0aA:
undetectable
2m56A-2h0aA:
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.
2j1l RHO-RELATED
GTP-BINDING PROTEIN
RHOD


(Homo sapiens)
PF00071
(Ras)
4 PHE A  37
LEU A  93
VAL A  20
VAL A  60
None
1.20A 2m56A-2j1lA:
undetectable
2m56A-2j1lA:
19.85
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.
2k8d PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRB


(Methanothermobacter
thermautotrophicus)
PF01641
(SelR)
4 PHE A  90
LEU A 123
VAL A 114
VAL A  94
None
0.95A 2m56A-2k8dA:
undetectable
2m56A-2k8dA:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
5 PHE A  87
TYR A  96
LEU A 244
VAL A 247
VAL A 295
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
None
HEM  A 501 (-4.6A)
0.00A 2m56A-2m56A:
73.3
2m56A-2m56A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE


(Pseudomonas
putida)
PF00067
(p450)
4 PHE A  87
TYR A  96
LEU A 244
VAL A 396
CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
None
0.68A 2m56A-2m56A:
73.3
2m56A-2m56A:
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.
2n67 HEMOLYSIN II

(Bacillus cereus)
no annotation 4 PHE B  66
TYR B  64
LEU B  36
VAL B  16
None
1.13A 2m56A-2n67B:
undetectable
2m56A-2n67B:
13.39
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.
2p22 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
PROTEIN SRN2
HYPOTHETICAL 12.0
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF09454
(Vps23_core)
PF07200
(Mod_r)
PF09452
(Mvb12)
4 PHE D  71
TYR D  75
LEU C  58
VAL A 232
None
1.20A 2m56A-2p22D:
undetectable
2m56A-2p22D:
13.76
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.
2p5r GLUTATHIONE
PEROXIDASE 5


(Populus
trichocarpa x
Populus
deltoides)
PF00255
(GSHPx)
4 PHE A  71
LEU A  35
VAL A  12
VAL A  25
None
1.11A 2m56A-2p5rA:
undetectable
2m56A-2p5rA:
19.90
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.
2peg HEMOGLOBIN SUBUNIT
BETA


(Trematomus
bernacchii)
PF00042
(Globin)
4 PHE B  42
LEU B  96
VAL B  98
VAL B  67
HEM  B 400 (-4.6A)
HEM  B 400 (-4.2A)
HEM  B 400 ( 4.5A)
HEM  B 400 (-3.7A)
1.23A 2m56A-2pegB:
undetectable
2m56A-2pegB:
15.11
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.
2qm3 PREDICTED
METHYLTRANSFERASE


(Pyrococcus
furiosus)
PF01861
(DUF43)
4 PHE A 110
LEU A 165
VAL A 138
VAL A 129
None
1.23A 2m56A-2qm3A:
undetectable
2m56A-2qm3A:
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.
2rkb SERINE
DEHYDRATASE-LIKE


(Homo sapiens)
PF00291
(PALP)
4 TYR A 284
LEU A  26
VAL A 306
VAL A 272
None
1.19A 2m56A-2rkbA:
undetectable
2m56A-2rkbA:
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.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN


(Campylobacter
jejuni)
PF00042
(Globin)
4 PHE A  42
TYR A  28
LEU A  56
VAL A  89
HEM  A 150 ( 3.5A)
CYN  A 151 (-4.7A)
CYN  A 151 (-4.1A)
HEM  A 150 (-3.8A)
1.10A 2m56A-2wy4A:
undetectable
2m56A-2wy4A:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yh2 ESTERASE

(Pyrobaculum
calidifontis)
PF07859
(Abhydrolase_3)
4 PHE A 123
TYR A 221
LEU A 162
VAL A 165
None
1.13A 2m56A-2yh2A:
undetectable
2m56A-2yh2A:
22.20
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.
2z5e PROTEASOME
ASSEMBLING CHAPERONE
3


(Homo sapiens)
PF10178
(PAC3)
4 PHE A  85
LEU A  97
VAL A  34
VAL A 115
None
1.22A 2m56A-2z5eA:
undetectable
2m56A-2z5eA:
15.15
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.
2zhp BLEOMYCIN RESISTANCE
PROTEIN


(Streptoalloteichus
hindustanus)
no annotation 4 PHE A  29
LEU A 108
VAL A 116
VAL A  68
None
1.11A 2m56A-2zhpA:
undetectable
2m56A-2zhpA:
14.57
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE


(Sulfurisphaera
tokodaii)
PF07859
(Abhydrolase_3)
4 PHE A 117
TYR A 210
LEU A 155
VAL A 158
None
1.11A 2m56A-3ailA:
undetectable
2m56A-3ailA:
20.82
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.
3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN


(Agrobacterium
fabrum)
PF13416
(SBP_bac_8)
4 PHE A 146
LEU A 162
VAL A 169
VAL A 223
None
1.10A 2m56A-3c9hA:
undetectable
2m56A-3c9hA:
23.09
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.
3cy5 HEMOGLOBIN SUBUNIT
BETA


(Bubalus bubalis)
PF00042
(Globin)
4 PHE B 122
LEU B 110
VAL B 134
VAL B  11
None
1.22A 2m56A-3cy5B:
undetectable
2m56A-3cy5B:
16.84
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.
3dde TENA/THI-4 PROTEIN,
DOMAIN OF UNKNOWN
FUNCTION WITH A HEME
OXYGENASE-LIKE FOLD


(Shewanella
denitrificans)
PF14518
(Haem_oxygenas_2)
4 PHE A  75
LEU A 185
VAL A 188
VAL A  61
None
1.23A 2m56A-3ddeA:
undetectable
2m56A-3ddeA:
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.
3etu PROTEIN TRANSPORT
PROTEIN DSL1


(Saccharomyces
cerevisiae)
PF11988
(Dsl1_N)
4 PHE A 179
TYR A 167
LEU A 123
VAL A  68
None
1.22A 2m56A-3etuA:
undetectable
2m56A-3etuA:
21.66
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.
3g5w MULTICOPPER OXIDASE
TYPE 1


(Nitrosomonas
europaea)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 TYR A 145
LEU A  50
VAL A  89
VAL A  81
None
1.21A 2m56A-3g5wA:
undetectable
2m56A-3g5wA:
21.18
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE


(Escherichia
coli)
PF00464
(SHMT)
4 PHE A 302
LEU A  32
VAL A 344
VAL A 389
None
1.10A 2m56A-3g8mA:
undetectable
2m56A-3g8mA:
22.53
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.
3j1c CHAPERONIN ALPHA
SUBUNIT


(Acidianus
tengchongensis)
PF00118
(Cpn60_TCP1)
4 PHE A 105
TYR A 447
LEU A 425
VAL A 512
None
1.07A 2m56A-3j1cA:
undetectable
2m56A-3j1cA:
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.
3jyy LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE


(Enterococcus
faecium)
no annotation 4 PHE A  92
LEU A  14
VAL A  11
VAL A  80
None
1.01A 2m56A-3jyyA:
undetectable
2m56A-3jyyA:
21.43
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.
3kl2 PUTATIVE
ISOCHORISMATASE


(Streptomyces
avermitilis)
PF00857
(Isochorismatase)
4 PHE A 154
LEU A 173
VAL A 196
VAL A 168
None
1.16A 2m56A-3kl2A:
undetectable
2m56A-3kl2A:
21.52
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.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM


(Micromonospora
zionensis)
PF07091
(FmrO)
4 PHE B 115
TYR B 116
LEU B 196
VAL B 225
None
1.21A 2m56A-3lcvB:
undetectable
2m56A-3lcvB:
21.93
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE


(Mycobacterium
tuberculosis)
PF13561
(adh_short_C2)
4 PHE A 431
TYR A 430
LEU A 181
VAL A 189
None
1.00A 2m56A-3m1lA:
undetectable
2m56A-3m1lA:
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT


(Ruegeria
pomeroyi)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 PHE A 583
LEU A 563
VAL A 561
VAL A 592
None
1.20A 2m56A-3n6rA:
undetectable
2m56A-3n6rA:
20.38
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.
3olo TWO-COMPONENT SENSOR
HISTIDINE KINASE


(Nostoc sp. PCC
7120)
PF00989
(PAS)
4 PHE A  78
LEU A  26
VAL A 109
VAL A  92
None
1.23A 2m56A-3oloA:
undetectable
2m56A-3oloA:
15.76
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.
3pvl MYOSIN VIIA ISOFORM
1


(Mus musculus)
PF00784
(MyTH4)
4 PHE A1532
LEU A1511
VAL A1498
VAL A1489
None
None
None
GOL  A   1 ( 4.7A)
0.98A 2m56A-3pvlA:
undetectable
2m56A-3pvlA:
20.54
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.
3rg1 CD180 MOLECULE

(Bos taurus)
PF00560
(LRR_1)
PF13855
(LRR_8)
4 PHE A 416
LEU A 450
VAL A 427
VAL A 434
None
1.17A 2m56A-3rg1A:
undetectable
2m56A-3rg1A:
20.68
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L


(Escherichia
coli)
no annotation 4 PHE L 549
TYR L 545
LEU L 235
VAL L 176
LFA  L 614 ( 4.2A)
LFA  L 614 ( 4.4A)
None
None
1.22A 2m56A-3rkoL:
undetectable
2m56A-3rkoL:
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.
3s5c LINA

(uncultured
organism)
no annotation 4 TYR B  68
LEU B  64
VAL B  24
VAL B  94
None
1.20A 2m56A-3s5cB:
undetectable
2m56A-3s5cB:
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.
3tr9 DIHYDROPTEROATE
SYNTHASE


(Coxiella
burnetii)
PF00809
(Pterin_bind)
4 PHE A 202
LEU A 172
VAL A 175
VAL A 231
None
0.84A 2m56A-3tr9A:
undetectable
2m56A-3tr9A:
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.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN


(Methylacidiphilum
infernorum)
PF00042
(Globin)
4 PHE A  43
TYR A  29
LEU A  54
VAL A  87
HEM  A 201 (-3.8A)
None
OXY  A 202 ( 4.3A)
HEM  A 201 (-4.1A)
1.04A 2m56A-3ubcA:
undetectable
2m56A-3ubcA:
16.79
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.
3umf ADENYLATE KINASE

(Schistosoma
mansoni)
PF00406
(ADK)
4 PHE A  13
TYR A  96
LEU A  74
VAL A 110
None
0.81A 2m56A-3umfA:
undetectable
2m56A-3umfA:
18.47
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.
4boo ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA


(Torpedo
marmorata)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 PHE A 205
TYR A 181
LEU A  35
VAL A  50
None
1.14A 2m56A-4booA:
undetectable
2m56A-4booA:
19.35
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.
4bpl IMPORTIN SUBUNIT
ALPHA-1A


(Oryza sativa)
PF00514
(Arm)
PF16186
(Arm_3)
4 PHE A 228
LEU A 167
VAL A 164
VAL A 185
None
1.21A 2m56A-4bplA:
undetectable
2m56A-4bplA:
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 112
LEU A 281
VAL A 280
VAL A 119
None
1.18A 2m56A-4eutA:
undetectable
2m56A-4eutA:
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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1


(Homo sapiens)
PF00069
(Pkinase)
4 PHE A 112
LEU A 281
VAL A 280
VAL A 119
None
1.18A 2m56A-4euuA:
undetectable
2m56A-4euuA:
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1


(Saccharomyces
cerevisiae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 PHE A 429
LEU A 181
VAL A  83
VAL A 164
None
1.08A 2m56A-4g1pA:
undetectable
2m56A-4g1pA:
22.20
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.
4hdt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE


(Mycolicibacterium
thermoresistibile)
PF16113
(ECH_2)
4 PHE A 172
LEU A 153
VAL A 118
VAL A 129
None
1.07A 2m56A-4hdtA:
undetectable
2m56A-4hdtA:
20.05
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1


(Mus musculus)
PF00069
(Pkinase)
4 PHE A 112
LEU A 281
VAL A 280
VAL A 119
None
1.21A 2m56A-4jlcA:
undetectable
2m56A-4jlcA:
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.
4kvs ALDEHYDE
DECARBONYLASE


(Prochlorococcus
marinus)
PF11266
(Ald_deCOase)
4 TYR A  30
LEU A  87
VAL A  89
VAL A  41
None
None
None
6NA  A 301 ( 4.2A)
1.18A 2m56A-4kvsA:
undetectable
2m56A-4kvsA:
21.84
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE


(Bacteroides
vulgatus)
PF13204
(DUF4038)
PF16586
(DUF5060)
4 TYR A 314
LEU A 342
VAL A 350
VAL A 355
None
1.10A 2m56A-4n0rA:
undetectable
2m56A-4n0rA:
21.71
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.
4ofq PUTATIVE CELL
SURFACE PROTEIN


(Streptococcus
pyogenes)
PF16364
(Antigen_C)
4 TYR A1111
LEU A1057
VAL A1053
VAL A1103
None
1.16A 2m56A-4ofqA:
undetectable
2m56A-4ofqA:
20.92
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.
4ol9 PUTATIVE
2-DEHYDROPANTOATE
2-REDUCTASE


(Mycobacterium
tuberculosis)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 PHE A 153
LEU A  21
VAL A  17
VAL A 164
None
1.22A 2m56A-4ol9A:
undetectable
2m56A-4ol9A:
21.38
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
4 PHE A 118
TYR A 210
LEU A 156
VAL A 159
None
1.16A 2m56A-4p9nA:
undetectable
2m56A-4p9nA:
22.33
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.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP


(Salmonella
enterica)
PF12468
(TTSSLRR)
PF14496
(NEL)
4 PHE A 663
LEU A 673
VAL A 672
VAL A 756
None
1.19A 2m56A-4pufA:
undetectable
2m56A-4pufA:
21.33
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF03512
(Glyco_hydro_52)
4 PHE A 353
LEU A 295
VAL A 102
VAL A  14
None
1.03A 2m56A-4rhhA:
undetectable
2m56A-4rhhA:
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.
4rxi HYPOTHETICAL PROTEIN
LPG0944


(Legionella
pneumophila)
no annotation 4 PHE A 370
LEU A 364
VAL A 344
VAL A 294
None
1.22A 2m56A-4rxiA:
undetectable
2m56A-4rxiA:
17.46
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.
4std SCYTALONE
DEHYDRATASE


(Magnaporthe
grisea)
PF02982
(Scytalone_dh)
4 PHE A  53
TYR A  50
VAL A  75
VAL A 108
None
BFS  A 173 (-4.3A)
BFS  A 173 (-4.5A)
BFS  A 173 ( 4.4A)
0.98A 2m56A-4stdA:
undetectable
2m56A-4stdA:
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.
4u1f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B


(Saccharomyces
cerevisiae)
PF08662
(eIF2A)
4 PHE A 462
TYR A 485
LEU A 446
VAL A 450
None
1.23A 2m56A-4u1fA:
undetectable
2m56A-4u1fA:
22.75
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT


(Desulfovibrio
vulgaris)
PF00374
(NiFeSe_Hases)
4 PHE L 128
TYR L 129
VAL L 137
VAL L 279
None
1.22A 2m56A-4u9iL:
undetectable
2m56A-4u9iL:
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.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 PHE A 373
LEU A 310
VAL A 313
VAL A 369
None
1.21A 2m56A-4wumA:
undetectable
2m56A-4wumA:
22.25
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.
4wy8 ESTERASE

(Rhizomucor
miehei)
PF07859
(Abhydrolase_3)
4 PHE A 128
TYR A 225
LEU A 169
VAL A 172
None
1.08A 2m56A-4wy8A:
undetectable
2m56A-4wy8A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xxw PROTOCADHERIN-15

(Mus musculus)
no annotation 5 PHE B 183
TYR B 207
LEU B 234
VAL B 135
VAL B 141
None
1.36A 2m56A-4xxwB:
undetectable
2m56A-4xxwB:
19.52
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE


(Gemmata
obscuriglobus)
PF00121
(TIM)
4 PHE A 163
TYR A 202
VAL A 151
VAL A 117
None
0.98A 2m56A-4y96A:
undetectable
2m56A-4y96A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 PHE A 376
LEU A 313
VAL A 316
VAL A 372
None
1.19A 2m56A-4yjyA:
undetectable
2m56A-4yjyA:
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.
4ypv EST8

(Parvibaculum)
PF07859
(Abhydrolase_3)
4 PHE A 125
TYR A 220
LEU A 164
VAL A 167
None
1.09A 2m56A-4ypvA:
undetectable
2m56A-4ypvA:
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.
4z1p CELL WALL SURFACE
ANCHOR PROTEIN


(Streptococcus
agalactiae)
PF16364
(Antigen_C)
4 TYR A 133
LEU A  79
VAL A  75
VAL A 125
None
1.20A 2m56A-4z1pA:
undetectable
2m56A-4z1pA:
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.
4z23 CELL WALL SURFACE
ANCHOR PROTEIN


(Streptococcus
agalactiae)
PF16364
(Antigen_C)
4 TYR A 133
LEU A  79
VAL A  75
VAL A 125
None
1.14A 2m56A-4z23A:
undetectable
2m56A-4z23A:
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.
4zgs PUTATIVE D-LACTATE
DEHYDROGENASE


(Chlamydomonas
reinhardtii)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 PHE A 338
TYR A 134
VAL A  86
VAL A  46
NAD  A1000 (-3.6A)
NAD  A1000 (-4.0A)
None
None
1.14A 2m56A-4zgsA:
undetectable
2m56A-4zgsA:
22.42
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2


(Human
immunodeficiency
virus 2)
PF00516
(GP120)
4 PHE G 275
LEU G 409
VAL G 412
VAL G 357
None
1.16A 2m56A-5cayG:
undetectable
2m56A-5cayG:
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2


(Human
immunodeficiency
virus 2)
PF00516
(GP120)
4 PHE G 482
LEU G 301
VAL G 357
VAL G 412
None
0.98A 2m56A-5cayG:
undetectable
2m56A-5cayG:
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.
5f5v PRP38

(Chaetomium
thermophilum)
PF03371
(PRP38)
4 TYR A 105
LEU A 119
VAL A  65
VAL A  56
None
0.99A 2m56A-5f5vA:
undetectable
2m56A-5f5vA:
22.14
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.
5gte LACHRYMATORY-FACTOR
SYNTHASE


(Allium cepa)
PF10604
(Polyketide_cyc2)
4 PHE A 104
TYR A 114
LEU A 152
VAL A  73
None
0.90A 2m56A-5gteA:
undetectable
2m56A-5gteA:
15.69
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.
5k52 ALDEHYDE
DECARBONYLASE


(Limnothrix sp.
KNUA012)
PF11266
(Ald_deCOase)
4 TYR A  17
LEU A  74
VAL A  76
VAL A  28
None
None
None
OCD  A 500 ( 4.6A)
1.20A 2m56A-5k52A:
undetectable
2m56A-5k52A:
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE


(Oscillatoria
sp.)
PF11266
(Ald_deCOase)
4 TYR A  17
LEU A  74
VAL A  76
VAL A  28
None
None
None
STE  A 502 ( 4.8A)
1.08A 2m56A-5k53A:
undetectable
2m56A-5k53A:
22.06
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.
5kpe DE NOVO BETA SHEET
DESIGN PROTEIN OR664


(synthetic
construct)
no annotation 4 PHE A  94
LEU A  31
VAL A  39
VAL A 106
None
1.02A 2m56A-5kpeA:
undetectable
2m56A-5kpeA:
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.
5sy7 NEURONAL PAS
DOMAIN-CONTAINING
PROTEIN 3


(Mus musculus)
PF00010
(HLH)
PF00989
(PAS)
PF08447
(PAS_3)
4 PHE B 176
LEU B 187
VAL B 183
VAL B 318
None
1.01A 2m56A-5sy7B:
undetectable
2m56A-5sy7B:
20.18
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.
5tpj DENOVO NTF2

(synthetic
construct)
PF12680
(SnoaL_2)
4 PHE A  89
LEU A  17
VAL A  62
VAL A  76
None
1.14A 2m56A-5tpjA:
undetectable
2m56A-5tpjA:
14.55
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.
5uba RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 4


(Homo sapiens)
PF00849
(PseudoU_synth_2)
4 TYR A 185
LEU A 152
VAL A 159
VAL A 181
None
1.19A 2m56A-5ubaA:
undetectable
2m56A-5ubaA:
19.95
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.
5uc5 CHS2 CHALCONE
SYNTHASE


(Malus domestica)
no annotation 4 PHE A 373
LEU A 310
VAL A 313
VAL A 369
None
1.16A 2m56A-5uc5A:
undetectable
2m56A-5uc5A:
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.
5ux2 ALDEHYDE
DECARBONYLASE


(Synechococcus
sp. RS9917)
no annotation 4 TYR A  11
LEU A  68
VAL A  70
VAL A  22
None
1.19A 2m56A-5ux2A:
undetectable
2m56A-5ux2A:
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.
5v1m U6 SNRNA
PHOSPHODIESTERASE


(Homo sapiens)
PF09749
(HVSL)
4 PHE A 151
LEU A 123
VAL A  87
VAL A 175
None
1.17A 2m56A-5v1mA:
undetectable
2m56A-5v1mA:
18.43
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE


(Acinetobacter
baumannii)
PF00464
(SHMT)
4 PHE A 301
LEU A  31
VAL A 343
VAL A 388
None
1.15A 2m56A-5vmbA:
undetectable
2m56A-5vmbA:
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.
5wtn REPLICATION
INITIATION AND
MEMBRANE ATTACHMENT
PROTEIN


(Geobacillus
stearothermophilus)
no annotation 4 PHE A 211
LEU A 266
VAL A 229
VAL A 220
None
1.11A 2m56A-5wtnA:
undetectable
2m56A-5wtnA:
22.57
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.
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN


(Homo sapiens)
no annotation 4 PHE B 320
LEU B 176
VAL B  78
VAL B 205
None
1.11A 2m56A-5yewB:
undetectable
2m56A-5yewB:
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.
6co0 STYRYLPYRONE
SYNTHASE 1


(Piper
methysticum)
no annotation 4 PHE A 374
LEU A 311
VAL A 314
VAL A 370
None
1.18A 2m56A-6co0A:
undetectable
2m56A-6co0A:
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.
6d4j PROTEIN PATCHED
HOMOLOG 1


(Homo sapiens)
no annotation 4 PHE A 743
TYR A 740
LEU A1168
VAL A 753
None
1.21A 2m56A-6d4jA:
undetectable
2m56A-6d4jA:
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.
6fml INO80

(Chaetomium
thermophilum)
no annotation 4 PHE G1126
LEU G1106
VAL G1027
VAL G1090
None
1.21A 2m56A-6fmlG:
undetectable
2m56A-6fmlG:
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.
6gui -

(-)
no annotation 4 PHE A 165
LEU A 153
VAL A  52
VAL A 126
None
1.23A 2m56A-6guiA:
undetectable
2m56A-6guiA:
undetectable