SIMILAR PATTERNS OF AMINO ACIDS FOR 3SI7_A_ACTA4_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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE


(Pyrococcus
furiosus)
PF01314
(AFOR_C)
PF02730
(AFOR_N)
4 LEU A 493
GLY A 492
GLY A  74
THR A  69
None
0.85A 3si7A-1aorA:
0.0
3si7A-1aorA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN


(Erythrina
crista-galli)
PF00139
(Lectin_legB)
4 LEU A  91
GLY A  90
GLY A 214
THR A  35
None
0.91A 3si7A-1gzcA:
undetectable
3si7A-1gzcA:
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.
1jo0 HYPOTHETICAL PROTEIN
HI1333


(Haemophilus
influenzae)
PF01985
(CRS1_YhbY)
4 LEU A  25
GLY A  26
GLY A  29
THR A  31
None
0.58A 3si7A-1jo0A:
undetectable
3si7A-1jo0A:
17.08
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.
1lgy TRIACYLGLYCEROL
LIPASE


(Rhizopus niveus)
PF01764
(Lipase_3)
4 LEU A 146
GLY A 147
GLY A  82
THR A  63
None
0.81A 3si7A-1lgyA:
0.6
3si7A-1lgyA:
24.84
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.
1ln4 HYPOTHETICAL PROTEIN
YHBY


(Escherichia
coli)
PF01985
(CRS1_YhbY)
4 LEU A  24
GLY A  25
GLY A  28
THR A  30
None
0.80A 3si7A-1ln4A:
undetectable
3si7A-1ln4A:
17.20
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.
1q90 APOCYTOCHROME F
CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT


(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii)
PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N)
PF08802
(CytB6-F_Fe-S)
4 LEU R  55
GLY R  54
GLY R  52
THR A 265
None
0.87A 3si7A-1q90R:
undetectable
3si7A-1q90R:
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.
1qot CHITIN BINDING
LECTIN, UEA-II


(Ulex europaeus)
PF00139
(Lectin_legB)
4 LEU A  88
GLY A  87
GLY A 216
THR A  37
None
0.63A 3si7A-1qotA:
undetectable
3si7A-1qotA:
21.28
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.
1qye ENDOPLASMIN

(Canis lupus)
PF00183
(HSP90)
PF02518
(HATPase_c)
4 LEU A 241
GLY A 242
GLY A 244
THR A 150
None
0.89A 3si7A-1qyeA:
undetectable
3si7A-1qyeA:
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.
1swf CIRCULARLY PERMUTED
CORE-STREPTAVIDIN
E51/A46


(Streptomyces
avidinii)
PF01382
(Avidin)
4 LEU A  73
GLY A  74
GLY A  94
THR A 106
None
0.89A 3si7A-1swfA:
undetectable
3si7A-1swfA:
18.35
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.
1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN


(Thermotoga
maritima)
PF00005
(ABC_tran)
4 LEU A 124
GLY A 125
GLY A 123
THR A 119
None
0.92A 3si7A-1vplA:
20.5
3si7A-1vplA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Mus musculus)
PF00005
(ABC_tran)
PF14396
(CFTR_R)
4 LEU A 541
GLY A 542
GLY A 545
THR A 547
ACY  A   7 (-4.2A)
ACY  A   7 (-3.3A)
ACY  A   7 (-3.0A)
ACY  A   7 ( 3.1A)
0.17A 3si7A-1xfaA:
43.8
3si7A-1xfaA:
99.65
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.
1xqb HYPOTHETICAL UPF0066
PROTEIN HI0510


(Haemophilus
influenzae)
PF01980
(UPF0066)
4 LEU A 121
GLY A 122
GLY A  34
THR A  14
None
0.95A 3si7A-1xqbA:
undetectable
3si7A-1xqbA:
23.61
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1


(Pseudomonas
aeruginosa)
PF04166
(PdxA)
4 LEU A1108
GLY A1106
GLY A1104
THR A1101
None
0.94A 3si7A-1yxoA:
undetectable
3si7A-1yxoA:
21.47
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.
1z67 HYPOTHETICAL PROTEIN
S4005


(Shigella
flexneri)
PF06078
(DUF937)
4 LEU A  82
GLY A  83
GLY A  79
THR A  88
None
0.86A 3si7A-1z67A:
undetectable
3si7A-1z67A:
20.57
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM


(Homo sapiens)
PF00069
(Pkinase)
4 LEU A 122
GLY A 123
GLY A 174
THR A 178
5ID  A1300 (-4.2A)
None
None
None
0.81A 3si7A-2c47A:
undetectable
3si7A-2c47A:
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.
2mpn INNER MEMBRANE
PROTEIN YGAP


(Escherichia
coli)
PF11127
(DUF2892)
4 LEU A 150
GLY A 148
GLY A 146
THR A 133
None
0.96A 3si7A-2mpnA:
undetectable
3si7A-2mpnA:
14.67
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.
2o1w ENDOPLASMIN

(Canis lupus)
PF00183
(HSP90)
PF02518
(HATPase_c)
4 LEU A 241
GLY A 242
GLY A 244
THR A 150
None
0.85A 3si7A-2o1wA:
undetectable
3si7A-2o1wA:
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens)
PF01979
(Amidohydro_1)
4 LEU A  88
GLY A 328
GLY A 330
THR A 325
None
0.93A 3si7A-2oodA:
undetectable
3si7A-2oodA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pzf CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Homo sapiens)
PF00005
(ABC_tran)
4 LEU A 541
GLY A 542
GLY A 545
THR A 547
None
0.65A 3si7A-2pzfA:
30.9
3si7A-2pzfA:
73.85
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
4 LEU A 349
GLY A 350
GLY A 353
THR A 370
None
0.72A 3si7A-2qkxA:
undetectable
3si7A-2qkxA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3y VIRULENCE FACTOR

(Pectobacterium
carotovorum)
no annotation 4 LEU A 155
GLY A 154
GLY A 152
THR A 207
None
None
PLM  A1278 ( 4.2A)
None
0.69A 3si7A-2w3yA:
undetectable
3si7A-2w3yA:
21.32
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.
2x06 L-SULFOLACTATE
DEHYDROGENASE


(Methanocaldococcus
jannaschii)
PF02615
(Ldh_2)
4 LEU A 229
GLY A 228
GLY A 226
THR A 176
None
0.93A 3si7A-2x06A:
undetectable
3si7A-2x06A:
22.31
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.
2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE


(Pseudomonas
aeruginosa)
PF01063
(Aminotran_4)
4 LEU A 142
GLY A  23
GLY A  25
THR A  84
None
0.89A 3si7A-2y4rA:
undetectable
3si7A-2y4rA:
23.55
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.
2zgi PUTATIVE
4-AMINO-4-DEOXYCHORI
SMATE LYASE


(Thermus
thermophilus)
PF01063
(Aminotran_4)
4 LEU A 149
GLY A 148
GLY A 160
THR A 163
None
0.81A 3si7A-2zgiA:
undetectable
3si7A-2zgiA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsc TAMAVIDIN2

(Pleurotus
cornucopiae)
PF01382
(Avidin)
4 LEU A  63
GLY A  64
GLY A  82
THR A  94
None
0.95A 3si7A-2zscA:
undetectable
3si7A-2zscA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128)
no annotation 4 LEU A  68
GLY A  69
GLY A  36
THR A  38
None
0.97A 3si7A-3a0fA:
undetectable
3si7A-3a0fA:
18.82
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE


(Homo sapiens)
PF16113
(ECH_2)
4 LEU A 150
GLY A 149
GLY A 147
THR A 143
None
0.95A 3si7A-3bptA:
undetectable
3si7A-3bptA:
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.
3cmv PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
4 LEU A  51
GLY A  52
GLY A  54
THR A  39
None
0.93A 3si7A-3cmvA:
6.4
3si7A-3cmvA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN


(Methanosarcina
acetivorans;
Methanosarcina
acetivorans)
PF00005
(ABC_tran)
PF03459
(TOBE)
PF00528
(BPD_transp_1)
4 LEU C 177
GLY C 178
GLY A  96
THR A 144
None
0.90A 3si7A-3d31C:
undetectable
3si7A-3d31C:
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
4 LEU A 349
GLY A 350
GLY A 353
THR A 370
None
0.79A 3si7A-3dj4A:
undetectable
3si7A-3dj4A:
20.39
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.
3e39 PUTATIVE
NITROREDUCTASE


(Desulfovibrio
alaskensis)
PF00881
(Nitroreductase)
4 LEU A 116
GLY A 117
GLY A 151
THR A  21
None
0.91A 3si7A-3e39A:
undetectable
3si7A-3e39A:
20.70
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.
3fbk REGULATOR OF
G-PROTEIN SIGNALING
3


(Homo sapiens)
PF00168
(C2)
4 LEU A 155
GLY A 156
GLY A 160
THR A 162
None
0.80A 3si7A-3fbkA:
undetectable
3si7A-3fbkA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA


(Shigella
dysenteriae)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 LEU A 154
GLY A 155
GLY A 143
THR A 144
None
0.94A 3si7A-3fhhA:
undetectable
3si7A-3fhhA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2


(Trypanosoma
brucei)
PF01704
(UDPGP)
4 LEU A  85
GLY A  86
GLY A  93
THR A 135
None
None
SO4  A 487 (-3.4A)
None
0.90A 3si7A-3gueA:
undetectable
3si7A-3gueA:
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.
3gwj ARYLPHORIN

(Antheraea
pernyi)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
4 LEU A 270
GLY A 271
GLY A 269
THR A 267
None
0.90A 3si7A-3gwjA:
undetectable
3si7A-3gwjA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hur ALANINE RACEMASE

(Oenococcus oeni)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 LEU A  45
GLY A  42
GLY A  44
THR A 346
None
0.88A 3si7A-3hurA:
undetectable
3si7A-3hurA:
23.96
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 LEU A 343
GLY A 342
GLY A 367
THR A 369
None
PO4  A 511 (-3.5A)
PO4  A 511 ( 4.1A)
None
0.64A 3si7A-3hz6A:
undetectable
3si7A-3hz6A:
20.08
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.
3ia4 DIHYDROFOLATE
REDUCTASE


(Moritella
profunda)
PF00186
(DHFR_1)
4 LEU A  17
GLY A  16
GLY A 123
THR A 121
None
NDP  A 163 (-3.4A)
None
None
0.72A 3si7A-3ia4A:
undetectable
3si7A-3ia4A:
17.77
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE


(Ruegeria
pomeroyi)
PF12692
(Methyltransf_17)
4 LEU A  48
GLY A  49
GLY A  51
THR A  53
None
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
SAM  A 200 (-3.4A)
0.66A 3si7A-3ihtA:
undetectable
3si7A-3ihtA:
22.10
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.
3kip 3-DEHYDROQUINASE,
TYPE II


(Candida
albicans)
PF01220
(DHquinase_II)
4 LEU A 130
GLY A 131
GLY A 134
THR A 136
None
0.80A 3si7A-3kipA:
undetectable
3si7A-3kipA:
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT


(Acetoanaerobium
sticklandii)
PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer)
4 LEU A 377
GLY A 375
GLY A 378
THR A 380
None
0.88A 3si7A-3koyA:
undetectable
3si7A-3koyA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6m RPFF PROTEIN

(Xanthomonas
campestris)
PF00378
(ECH_1)
4 LEU A 121
GLY A 122
GLY A  60
THR A  57
None
0.81A 3si7A-3m6mA:
undetectable
3si7A-3m6mA:
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.
3mtj HOMOSERINE
DEHYDROGENASE


(Thiobacillus
denitrificans)
PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3)
4 LEU A  11
GLY A  12
GLY A  16
THR A  18
None
0.77A 3si7A-3mtjA:
undetectable
3si7A-3mtjA:
20.27
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.
3na8 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE


(Pseudomonas
aeruginosa)
PF00701
(DHDPS)
4 LEU A  65
GLY A  66
GLY A  69
THR A  32
None
0.95A 3si7A-3na8A:
undetectable
3si7A-3na8A:
23.44
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.
3nks PROTOPORPHYRINOGEN
OXIDASE


(Homo sapiens)
PF01593
(Amino_oxidase)
4 LEU A 203
GLY A 204
GLY A 200
THR A 193
None
0.90A 3si7A-3nksA:
undetectable
3si7A-3nksA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT


(Escherichia
coli)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
4 LEU A  17
GLY A  16
GLY A  13
THR A  45
None
None
FAD  A 601 (-3.2A)
FAD  A 601 (-2.9A)
0.95A 3si7A-3p4sA:
undetectable
3si7A-3p4sA:
18.96
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT


(Escherichia
coli)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
4 LEU A 508
GLY A 509
GLY A 511
THR A 209
None
0.91A 3si7A-3p4sA:
undetectable
3si7A-3p4sA:
18.96
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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens)
PF00067
(p450)
4 LEU A 509
GLY A 508
GLY A 236
THR A 234
BHF  A 800 (-4.7A)
None
None
None
0.89A 3si7A-3pm0A:
undetectable
3si7A-3pm0A:
20.44
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.
3qdk RIBULOKINASE

(Bacillus
halodurans)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 LEU A 380
GLY A 379
GLY A 404
THR A 406
None
0.84A 3si7A-3qdkA:
undetectable
3si7A-3qdkA:
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.
3re5 STREPTAVIDIN

(Streptomyces
avidinii)
PF01382
(Avidin)
4 LEU A  73
GLY A  74
GLY A  94
THR A 106
None
0.95A 3si7A-3re5A:
undetectable
3si7A-3re5A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slc ACETATE KINASE

(Salmonella
enterica)
PF00871
(Acetate_kinase)
4 LEU A 277
GLY A 275
GLY A 278
THR A 280
None
0.91A 3si7A-3slcA:
undetectable
3si7A-3slcA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum)
PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C)
4 LEU A 520
GLY A 524
GLY A 505
THR A 473
None
0.84A 3si7A-3t8lA:
undetectable
3si7A-3t8lA:
17.02
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg)
4 LEU A 469
GLY A 454
GLY A 419
THR A 416
None
0.83A 3si7A-3v5rA:
undetectable
3si7A-3v5rA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2)
PF00144
(Beta-lactamase)
4 LEU A 318
GLY A 319
GLY A 317
THR A 302
None
0.89A 3si7A-3wwxA:
undetectable
3si7A-3wwxA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zty MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE


(Thermus
thermophilus)
PF08282
(Hydrolase_3)
4 LEU A 113
GLY A 111
GLY A 109
THR A 140
None
0.96A 3si7A-3ztyA:
undetectable
3si7A-3ztyA:
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.
4bx7 STREPTAVIDIN

(Streptomyces
avidinii)
PF01382
(Avidin)
4 LEU A  73
GLY A  74
GLY A  94
THR A 106
None
0.96A 3si7A-4bx7A:
undetectable
3si7A-4bx7A:
18.31
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.
4csw CUPIN 4 FAMILY
PROTEIN


(Rhodothermus
marinus)
PF08007
(Cupin_4)
4 LEU A 287
GLY A 286
GLY A  52
THR A  54
None
0.94A 3si7A-4cswA:
undetectable
3si7A-4cswA:
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.
4dne STREPTAVIDIN

(Streptomyces
avidinii)
PF01382
(Avidin)
4 LEU A  73
GLY A  74
GLY A  94
THR A 106
None
0.95A 3si7A-4dneA:
undetectable
3si7A-4dneA:
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.
4fys AMINOPEPTIDASE N

(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
4 LEU A 875
GLY A 874
GLY A 872
THR A 867
None
0.71A 3si7A-4fysA:
undetectable
3si7A-4fysA:
16.26
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.
4g19 GLUTATHIONE
TRANSFERASE GTE1


(Phanerochaete
chrysosporium)
PF13417
(GST_N_3)
4 LEU A 194
GLY A 197
GLY A 201
THR A 203
None
0.94A 3si7A-4g19A:
undetectable
3si7A-4g19A:
23.87
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE


(Pseudomonas sp.
WBC-3)
PF00171
(Aldedh)
4 LEU A 248
GLY A 249
GLY A 225
THR A 224
None
NAD  A 601 (-3.5A)
NAD  A 601 (-3.5A)
NAD  A 601 (-4.2A)
0.97A 3si7A-4go4A:
undetectable
3si7A-4go4A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides)
PF16113
(ECH_2)
4 LEU A 117
GLY A 116
GLY A 114
THR A 110
None
0.83A 3si7A-4j2uA:
undetectable
3si7A-4j2uA:
21.17
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR


(Homo sapiens)
PF00415
(RCC1)
4 LEU C 327
GLY C 325
GLY C 322
THR C 335
None
0.87A 3si7A-4jhpC:
undetectable
3si7A-4jhpC:
23.40
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.
4jo6 STREPTAVIDIN

(Streptomyces
avidinii)
PF01382
(Avidin)
4 LEU A  73
GLY A  74
GLY A  94
THR A 106
None
0.93A 3si7A-4jo6A:
undetectable
3si7A-4jo6A:
17.97
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.
4l3w LIPASE

(Rhizopus
microsporus)
PF01764
(Lipase_3)
4 LEU A 173
GLY A 174
GLY A 109
THR A  90
None
0.82A 3si7A-4l3wA:
undetectable
3si7A-4l3wA:
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.
4l63 ECXA
ECXB


(Escherichia
coli;
Escherichia
coli)
PF16313
(DUF4953)
PF01376
(Enterotoxin_b)
4 LEU A 276
GLY A 275
GLY A 273
THR B  78
None
0.93A 3si7A-4l63A:
undetectable
3si7A-4l63A:
25.68
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis)
PF00561
(Abhydrolase_1)
4 LEU A 116
GLY A  90
GLY A 160
THR A 162
None
0.97A 3si7A-4meaA:
undetectable
3si7A-4meaA:
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.
4mh1 SORBOSE
DEHYDROGENASE


(Ketogulonicigenium
vulgare)
PF13360
(PQQ_2)
4 LEU A 530
GLY A 529
GLY A 527
THR A 478
None
0.93A 3si7A-4mh1A:
undetectable
3si7A-4mh1A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nur PSDSA

(Pseudomonas sp.
S9)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
4 LEU A 292
GLY A 291
GLY A 153
THR A 158
None
0.95A 3si7A-4nurA:
undetectable
3si7A-4nurA:
18.60
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.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1


(Homo sapiens)
PF00415
(RCC1)
4 LEU A4219
GLY A4217
GLY A4214
THR A4225
None
0.95A 3si7A-4o2wA:
undetectable
3si7A-4o2wA:
23.77
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.
4oxx CINDOXIN

(Citrobacter
braakii)
PF00258
(Flavodoxin_1)
4 LEU A  36
GLY A  67
GLY A   8
THR A  56
None
0.83A 3si7A-4oxxA:
undetectable
3si7A-4oxxA:
19.26
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS


(Escherichia
coli)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
4 LEU A 250
GLY A 249
GLY A 251
THR A 356
None
0.94A 3si7A-4pdxA:
undetectable
3si7A-4pdxA:
20.61
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL


(Candida
tropicalis)
no annotation 4 LEU A 103
GLY A  64
GLY A 102
THR A 168
None
0.91A 3si7A-4w99A:
undetectable
3si7A-4w99A:
21.49
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens)
PF01839
(FG-GAP)
4 LEU A 180
GLY A 181
GLY A 167
THR A 104
None
0.74A 3si7A-4wk4A:
undetectable
3si7A-4wk4A:
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
4 LEU A 237
GLY A 229
GLY A 348
THR A 346
None
0.87A 3si7A-4x68A:
undetectable
3si7A-4x68A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a89 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF


(Corynebacterium
ammoniagenes)
PF01687
(Flavokinase)
4 LEU A 204
GLY A 205
GLY A 200
THR A 208
None
None
ADP  A 501 ( 3.3A)
FMN  A 339 (-3.2A)
0.97A 3si7A-5a89A:
undetectable
3si7A-5a89A:
18.90
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.
5daa D-AMINO ACID
AMINOTRANSFERASE


(Bacillus sp.
YM-1)
PF01063
(Aminotran_4)
4 LEU A 147
GLY A  27
GLY A  29
THR A  92
None
0.88A 3si7A-5daaA:
undetectable
3si7A-5daaA:
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE


(Pyrococcus
horikoshii)
PF02449
(Glyco_hydro_42)
4 LEU A 408
GLY A 385
GLY A 386
THR A 399
None
0.94A 3si7A-5gslA:
undetectable
3si7A-5gslA:
17.22
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE


(Thermococcus
kodakarensis)
PF02449
(Glyco_hydro_42)
4 LEU A 406
GLY A 383
GLY A 384
THR A 397
None
0.96A 3si7A-5gsmA:
undetectable
3si7A-5gsmA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
4 LEU A  71
GLY A  72
GLY A  50
THR A  65
None
0.77A 3si7A-5gy0A:
undetectable
3si7A-5gy0A:
17.65
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA


(Lactobacillus
plantarum)
PF09861
(DUF2088)
4 LEU A 419
GLY A 420
GLY A 418
THR A 283
None
0.94A 3si7A-5huqA:
undetectable
3si7A-5huqA:
21.45
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.
5ikk HISTONE DEACETYLASE
CLR3


(Schizosaccharomyces
pombe)
PF00850
(Hist_deacetyl)
PF09757
(Arb2)
4 LEU A 282
GLY A 281
GLY A 283
THR A 285
None
None
None
K  A 702 ( 4.7A)
0.94A 3si7A-5ikkA:
2.0
3si7A-5ikkA:
17.75
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.
5im4 PHOSPHOTRANSFERASE
SYSTEM,
MANNOSE/FRUCTOSE-SPE
CIFIC COMPONENT IIA


(Caldanaerobacter
subterraneus)
PF03610
(EIIA-man)
4 LEU F  18
GLY F  17
GLY F  15
THR F  34
None
0.85A 3si7A-5im4F:
undetectable
3si7A-5im4F:
18.84
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.
5jay 8-AMINO-7-OXONONANOA
TE SYNTHASE


(Paraburkholderia
xenovorans)
PF00155
(Aminotran_1_2)
4 LEU A 216
GLY A 222
GLY A 212
THR A 180
None
0.88A 3si7A-5jayA:
undetectable
3si7A-5jayA:
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.
5jsc PUTATIVE ACYL-COA
DEHYDROGENASE


(Paraburkholderia
xenovorans)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 LEU A 236
GLY A 237
GLY A 114
THR A 116
None
0.93A 3si7A-5jscA:
undetectable
3si7A-5jscA:
21.04
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.
5ktk POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF08659
(KR)
4 LEU A 232
GLY A 231
GLY A 229
THR A 417
None
None
NDP  A 601 (-3.3A)
None
0.95A 3si7A-5ktkA:
undetectable
3si7A-5ktkA:
20.88
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.
5l16 PUTATIVE
SELENOPHOSPHATE
SYNTHETASE


(Leishmania
major)
PF00586
(AIRS)
PF02769
(AIRS_C)
4 LEU A  67
GLY A 115
GLY A 116
THR A  28
None
0.91A 3si7A-5l16A:
undetectable
3si7A-5l16A:
19.45
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.
5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL


(Bos taurus)
PF12838
(Fer4_7)
4 LEU I  34
GLY I  33
GLY I  35
THR I  37
None
0.85A 3si7A-5ldwI:
undetectable
3si7A-5ldwI:
19.31
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6


(Chaetomium
thermophilum)
PF01912
(eIF-6)
4 LEU A  70
GLY A  69
GLY A  65
THR A  20
None
0.69A 3si7A-5m3qA:
undetectable
3si7A-5m3qA:
20.06
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE


(Archaeoglobus
fulgidus)
no annotation 4 LEU A 152
GLY A  28
GLY A  30
THR A  93
None
0.90A 3si7A-5mqzA:
undetectable
3si7A-5mqzA:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 LEU A 396
GLY A 398
GLY A 401
THR A 403
None
0.88A 3si7A-5nd1A:
undetectable
3si7A-5nd1A:
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A


(Haemophilus
influenzae)
PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB)
4 LEU A 507
GLY A 506
GLY A 508
THR A 712
None
0.93A 3si7A-5u2gA:
undetectable
3si7A-5u2gA:
15.99
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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE


(Homo sapiens)
PF01048
(PNP_UDP_1)
4 LEU A  35
GLY A  34
GLY A 264
THR A 242
None
None
None
IM5  A 308 (-4.3A)
0.79A 3si7A-5ugfA:
undetectable
3si7A-5ugfA:
20.76
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A


(Homo sapiens)
PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1)
4 LEU A 146
GLY A 147
GLY A 143
THR A 154
None
0.72A 3si7A-5v9pA:
undetectable
3si7A-5v9pA:
16.43
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.
5vnx 8-AMINO-7-OXONONANOA
TE SYNTHASE


(Burkholderia
multivorans)
PF00155
(Aminotran_1_2)
4 LEU A 216
GLY A 222
GLY A 212
THR A 180
None
0.89A 3si7A-5vnxA:
undetectable
3si7A-5vnxA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum)
no annotation 4 LEU A 263
GLY A 265
GLY A 267
THR A 269
None
PO4  A 402 ( 3.3A)
PO4  A 402 (-4.7A)
None
0.95A 3si7A-5watA:
undetectable
3si7A-5watA:
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL


(Homo sapiens)
PF01370
(Epimerase)
4 LEU J 228
GLY J 229
GLY J 232
THR J 235
None
0.96A 3si7A-5xtdJ:
undetectable
3si7A-5xtdJ:
23.08
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.
6aom ENDOPLASMIN

(Canis lupus)
no annotation 4 LEU A 241
GLY A 242
GLY A 244
THR A 150
None
0.94A 3si7A-6aomA:
undetectable
3si7A-6aomA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)


(Bacillus cereus)
no annotation 4 LEU A 152
GLY A 150
GLY A 153
THR A 155
None
0.95A 3si7A-6bvgA:
undetectable
3si7A-6bvgA:
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum)
no annotation 4 LEU A  49
GLY A  53
GLY A  51
THR A  59
None
0.97A 3si7A-6fhvA:
undetectable
3si7A-6fhvA:
undetectable