SIMILAR PATTERNS OF AMINO ACIDS FOR 4EJG_D_NCTD501_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A


(Corynebacterium
sp.)
PF00248
(Aldo_ket_red)
4 PHE A  71
ASN A  12
ALA A 158
LEU A 106
None
0.91A 4ejgD-1a80A:
undetectable
4ejgD-1a80A:
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.
1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN


(Homo sapiens)
PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C)
4 PHE A 335
ASN A 264
ALA A 266
LEU A 276
PC1  A 778 (-4.7A)
None
PC1  A 778 (-3.3A)
PC1  A 778 (-3.9A)
1.01A 4ejgD-1bp1A:
undetectable
4ejgD-1bp1A:
22.26
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.
1c05 RIBOSOMAL PROTEIN S4
DELTA 41


(Geobacillus
stearothermophilus)
PF00163
(Ribosomal_S4)
PF01479
(S4)
4 PHE A 126
ASN A 117
ALA A 113
LEU A  72
None
0.94A 4ejgD-1c05A:
undetectable
4ejgD-1c05A:
15.89
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.
1cj0 PROTEIN (SERINE
HYDROXYMETHYLTRANSFE
RASE)


(Oryctolagus
cuniculus)
PF00464
(SHMT)
4 PHE A 240
PHE A 217
ALA A  85
LEU A 231
None
0.96A 4ejgD-1cj0A:
undetectable
4ejgD-1cj0A:
20.60
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.
1ej6 LAMBDA1

(Reovirus sp.)
no annotation 4 PHE B 977
ALA B 927
THR B 930
LEU B 363
None
0.99A 4ejgD-1ej6B:
0.0
4ejgD-1ej6B:
17.96
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.
1jmk SURFACTIN SYNTHETASE

(Bacillus
subtilis)
PF00975
(Thioesterase)
4 PHE C  49
PHE C  24
ALA C  62
LEU C  74
None
1.02A 4ejgD-1jmkC:
0.0
4ejgD-1jmkC:
17.93
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.
1l1o REPLICATION PROTEIN
A 70 KDA DNA-BINDING
SUBUNIT


(Homo sapiens)
PF08646
(Rep_fac-A_C)
4 PHE C 570
PHE C 572
ALA C 536
LEU C 471
None
0.85A 4ejgD-1l1oC:
undetectable
4ejgD-1l1oC:
15.55
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)


(Oryctolagus
cuniculus)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 PHE A 458
PHE A 493
ALA A 542
LEU A 444
None
1.00A 4ejgD-1lxtA:
0.0
4ejgD-1lxtA:
22.38
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.
1mqq ALPHA-D-GLUCURONIDAS
E


(Geobacillus
stearothermophilus)
PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M)
4 PHE A 173
ALA A 222
THR A 232
LEU A 234
None
1.05A 4ejgD-1mqqA:
undetectable
4ejgD-1mqqA:
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE


(Rattus
norvegicus)
PF01425
(Amidase)
4 PHE A 194
PHE A 248
THR A 336
LEU A 535
None
0.97A 4ejgD-1mt5A:
undetectable
4ejgD-1mt5A:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus)
PF00067
(p450)
4 PHE A 114
ALA A 294
THR A 298
LEU A 359
DIF  A 501 (-4.5A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
DIF  A 501 (-4.4A)
0.81A 4ejgD-1nr6A:
50.1
4ejgD-1nr6A:
54.62
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.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1


(Sus scrofa)
PF01909
(NTP_transf_2)
PF10421
(OAS1_C)
4 PHE A 118
PHE A 114
ALA A 107
LEU A  40
None
None
None
YCM  A  37 ( 4.6A)
0.98A 4ejgD-1px5A:
undetectable
4ejgD-1px5A:
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.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP3)


(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 ASN 3 106
ALA 3 203
THR 3  89
LEU 3  81
None
0.90A 4ejgD-1qgc3:
undetectable
4ejgD-1qgc3:
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.
1r20 ULTRASPIRACLE
PROTEIN


(Heliothis
virescens)
PF00104
(Hormone_recep)
4 PHE A 396
PHE A 414
ALA A 368
LEU A 421
None
1.05A 4ejgD-1r20A:
undetectable
4ejgD-1r20A:
21.40
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE


(Escherichia
coli)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 PHE A 369
ALA A 412
THR A 326
LEU A 341
None
0.95A 4ejgD-1uagA:
undetectable
4ejgD-1uagA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w07 ACYL-COA OXIDASE

(Arabidopsis
thaliana)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
4 PHE A  16
ASN A 599
ALA A 600
THR A 304
None
0.99A 4ejgD-1w07A:
0.0
4ejgD-1w07A:
20.03
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.
1xq1 PUTATIVE TROPINONE
REDUCATSE


(Arabidopsis
thaliana)
PF13561
(adh_short_C2)
4 ASN A  47
ALA A  45
THR A  43
LEU A  55
None
1.03A 4ejgD-1xq1A:
undetectable
4ejgD-1xq1A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zl6 BOTULINUM NEUROTOXIN
TYPE E


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 PHE A 327
ALA A 223
THR A 227
LEU A 252
None
0.99A 4ejgD-1zl6A:
undetectable
4ejgD-1zl6A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum)
PF14541
(TAXi_C)
PF14543
(TAXi_N)
4 PHE A 164
PHE A 178
THR A 236
LEU A 168
None
0.98A 4ejgD-2b42A:
undetectable
4ejgD-2b42A:
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.
2bl0 MAJOR PLASMODIAL
MYOSIN HEAVY CHAIN
MYOSIN REGULATORY
LIGHT CHAIN


(Physarum
polycephalum)
PF00036
(EF-hand_1)
PF00612
(IQ)
PF13499
(EF-hand_7)
4 PHE B 134
PHE B  82
ALA A 790
LEU B 109
None
0.96A 4ejgD-2bl0B:
undetectable
4ejgD-2bl0B:
18.16
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.
2c4m GLYCOGEN
PHOSPHORYLASE


(Corynebacterium
callunae)
PF00343
(Phosphorylase)
4 ASN A 285
ALA A 287
THR A 328
LEU A 306
None
0.88A 4ejgD-2c4mA:
undetectable
4ejgD-2c4mA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c8s CYTOCHROME C-L

(Methylobacterium
extorquens)
PF13442
(Cytochrome_CBB3)
4 PHE A  98
ASN A  45
ALA A  35
THR A  33
None
1.05A 4ejgD-2c8sA:
undetectable
4ejgD-2c8sA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dxa PROTEIN YBAK

(Escherichia
coli)
PF04073
(tRNA_edit)
4 PHE A  15
ALA A   4
THR A   2
LEU A 135
None
0.88A 4ejgD-2dxaA:
undetectable
4ejgD-2dxaA:
16.91
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.
2e7z ACETYLENE HYDRATASE
AHY


(Pelobacter
acetylenicus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
4 PHE A 413
PHE A 497
ALA A  91
LEU A 129
None
1.01A 4ejgD-2e7zA:
undetectable
4ejgD-2e7zA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens)
PF00067
(p450)
4 PHE A 125
ALA A 317
THR A 321
LEU A 382
None
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
0.71A 4ejgD-2hi4A:
43.0
4ejgD-2hi4A:
33.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens)
PF00067
(p450)
4 PHE A 125
ALA A 317
THR A 321
LEU A 382
None
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
1.02A 4ejgD-2hi4A:
43.0
4ejgD-2hi4A:
33.66
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.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN


(Thermotoga
maritima)
PF03480
(DctP)
4 PHE A 150
PHE A 245
THR A 131
LEU A 329
None
0.99A 4ejgD-2hpgA:
undetectable
4ejgD-2hpgA:
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.
2ixf ANTIGEN PEPTIDE
TRANSPORTER 1


(Rattus
norvegicus)
PF00005
(ABC_tran)
4 PHE A 482
PHE A 503
ALA A 525
LEU A 640
None
1.03A 4ejgD-2ixfA:
undetectable
4ejgD-2ixfA:
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.
2j1d DISHEVELED-ASSOCIATE
D ACTIVATOR OF
MORPHOGENESIS 1


(Homo sapiens)
PF02181
(FH2)
4 PHE G 979
ASN G 841
ALA G 844
THR G 855
None
1.01A 4ejgD-2j1dG:
undetectable
4ejgD-2j1dG:
24.28
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.
2kd7 PUTATIVE CHITOBIASE

(Bacteroides
thetaiotaomicron)
PF00754
(F5_F8_type_C)
4 PHE A 105
ASN A 134
ALA A 138
LEU A  33
None
0.93A 4ejgD-2kd7A:
undetectable
4ejgD-2kd7A:
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.
2q9g CYTOCHROME P450 46A1

(Homo sapiens)
PF00067
(p450)
4 PHE A 296
ALA A 193
THR A 201
LEU A 211
None
0.97A 4ejgD-2q9gA:
35.0
4ejgD-2q9gA:
26.77
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.
2v25 MAJOR CELL-BINDING
FACTOR


(Campylobacter
jejuni)
PF00497
(SBP_bac_3)
4 PHE A 150
ASN A 124
ALA A 123
LEU A 106
None
0.89A 4ejgD-2v25A:
undetectable
4ejgD-2v25A:
19.55
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
4 PHE X 239
ASN X 227
ALA X 224
LEU X 433
None
1.04A 4ejgD-2y9eX:
undetectable
4ejgD-2y9eX:
21.55
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
4 PHE A 662
PHE A 691
ALA A 647
LEU A 685
None
1.01A 4ejgD-2yocA:
undetectable
4ejgD-2yocA:
18.57
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.
2z69 DNR PROTEIN

(Pseudomonas
aeruginosa)
PF00027
(cNMP_binding)
5 PHE A 111
PHE A  53
ASN A 113
ALA A 115
LEU A  20
None
1.32A 4ejgD-2z69A:
undetectable
4ejgD-2z69A:
14.54
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.
2z6e DISHEVELED-ASSOCIATE
D ACTIVATOR OF
MORPHOGENESIS 1


(Homo sapiens)
PF02181
(FH2)
4 PHE A 979
ASN A 841
ALA A 844
THR A 855
None
0.97A 4ejgD-2z6eA:
undetectable
4ejgD-2z6eA:
23.14
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.
3b9n ALKANE MONOOXYGENASE

(Geobacillus
thermodenitrificans)
PF00296
(Bac_luciferase)
4 PHE A 245
ASN A 133
ALA A 131
LEU A 416
None
0.82A 4ejgD-3b9nA:
undetectable
4ejgD-3b9nA:
21.62
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA


(Escherichia
coli)
PF07517
(SecA_DEAD)
4 ASN A 486
ALA A 488
THR A 511
LEU A 135
None
1.05A 4ejgD-3bxzA:
undetectable
4ejgD-3bxzA:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e4e CYTOCHROME P450 2E1

(Homo sapiens)
PF00067
(p450)
4 PHE A 106
PHE A 116
ALA A 299
THR A 303
None
None
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
0.90A 4ejgD-3e4eA:
56.2
4ejgD-3e4eA:
51.14
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.
3epd PROTEIN VP2

(Enterovirus C)
PF00073
(Rhv)
4 ASN 2  30
ALA 2  28
THR 2  25
LEU 2  16
None
1.05A 4ejgD-3epd2:
undetectable
4ejgD-3epd2:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epf PROTEIN VP2

(Enterovirus C)
PF00073
(Rhv)
4 ASN 2  30
ALA 2  28
THR 2  25
LEU 2  16
None
1.05A 4ejgD-3epf2:
undetectable
4ejgD-3epf2:
20.96
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.
3ewb 2-ISOPROPYLMALATE
SYNTHASE


(Listeria
monocytogenes)
PF00682
(HMGL-like)
4 PHE X 265
ASN X 229
ALA X 239
THR X 210
None
0.90A 4ejgD-3ewbX:
undetectable
4ejgD-3ewbX:
21.41
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.
3hq9 CYTOCHROME C551
PEROXIDASE


(Geobacter
sulfurreducens)
PF00034
(Cytochrom_C)
PF03150
(CCP_MauG)
4 PHE A 158
ASN A 173
ALA A 175
LEU A  65
None
None
None
OXL  A 348 ( 3.9A)
1.04A 4ejgD-3hq9A:
undetectable
4ejgD-3hq9A:
24.24
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron)
PF00128
(Alpha-amylase)
4 PHE A 470
PHE A 644
ALA A 518
LEU A 494
None
0.96A 4ejgD-3k8kA:
undetectable
4ejgD-3k8kA:
20.49
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1


(Saccharomyces
cerevisiae)
PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4)
4 PHE A 483
ALA A 488
THR A 491
LEU A 534
None
0.97A 4ejgD-3kt4A:
undetectable
4ejgD-3kt4A:
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.
3kuq RHO
GTPASE-ACTIVATING
PROTEIN 7


(Homo sapiens)
PF00620
(RhoGAP)
4 PHE A1170
PHE A1234
ALA A1274
LEU A1205
None
1.04A 4ejgD-3kuqA:
undetectable
4ejgD-3kuqA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C


(Saccharomyces
cerevisiae)
PF00106
(adh_short)
4 PHE A 160
PHE A 134
ALA A 165
LEU A 122
None
0.97A 4ejgD-3kzvA:
undetectable
4ejgD-3kzvA:
20.81
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus)
PF00067
(p450)
4 PHE A  68
ALA A 243
THR A 247
LEU A 290
None
HEM  A 501 (-3.5A)
HEM  A 501 (-3.6A)
HEM  A 501 (-4.5A)
0.87A 4ejgD-3p3lA:
31.0
4ejgD-3p3lA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7s CASPASE-2 SUBUNIT
P18


(Homo sapiens)
PF00656
(Peptidase_C14)
4 PHE A 258
ALA A 263
THR A 267
LEU A 308
None
1.05A 4ejgD-3r7sA:
undetectable
4ejgD-3r7sA:
15.55
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.
3rd8 FUMARATE HYDRATASE
CLASS II


(Mycolicibacterium
smegmatis)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
4 PHE A 141
ALA A  51
THR A  47
LEU A 368
None
0.90A 4ejgD-3rd8A:
0.1
4ejgD-3rd8A:
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE


(Proteus
mirabilis)
PF02126
(PTE)
4 PHE A  27
ALA A 112
THR A 115
LEU A  81
None
1.03A 4ejgD-3rhgA:
undetectable
4ejgD-3rhgA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ron TYPE-1AA CYTOLYTIC
DELTA-ENDOTOXIN


(Bacillus
thuringiensis)
PF01338
(Bac_thur_toxin)
4 PHE A 177
ALA A 141
THR A 144
LEU A 120
None
0.98A 4ejgD-3ronA:
undetectable
4ejgD-3ronA:
18.54
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08084
(PROCT)
PF12134
(PRP8_domainIV)
4 PHE A2329
ASN A2318
ALA A2275
LEU A2307
None
0.99A 4ejgD-3sbgA:
undetectable
4ejgD-3sbgA:
22.26
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.
3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN


(Bacteroides
fragilis)
PF14254
(DUF4348)
4 PHE A 267
PHE A 177
ALA A 185
LEU A 254
None
None
None
MLY  A 255 ( 4.5A)
0.76A 4ejgD-3sbuA:
undetectable
4ejgD-3sbuA:
19.21
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.
3tze TRYPTOPHANYL-TRNA
SYNTHETASE


(Encephalitozoon
cuniculi)
PF00579
(tRNA-synt_1b)
4 PHE A  68
PHE A  37
ALA A  53
LEU A 104
None
0.96A 4ejgD-3tzeA:
undetectable
4ejgD-3tzeA:
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.
3up6 HYPOTHETICAL PROTEIN
BACOVA_04078


(Bacteroides
ovatus)
no annotation 4 ASN A 335
ALA A 178
THR A 276
LEU A 289
None
0.93A 4ejgD-3up6A:
undetectable
4ejgD-3up6A:
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.
3vmn DEXTRANASE

(Streptococcus
mutans)
PF13199
(Glyco_hydro_66)
4 PHE A 256
ALA A 302
THR A 300
LEU A 243
None
1.00A 4ejgD-3vmnA:
undetectable
4ejgD-3vmnA:
21.72
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE


(Ascaris suum)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17)
4 PHE A  74
ASN B 140
ALA B 144
LEU A 189
None
0.77A 4ejgD-3vrbA:
undetectable
4ejgD-3vrbA:
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10


(Thermoanaerobacterium
saccharolyticum)
PF00331
(Glyco_hydro_10)
4 ASN A  29
ALA A  35
THR A  38
LEU A  45
None
1.01A 4ejgD-3w25A:
undetectable
4ejgD-3w25A:
20.95
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 PHE A 315
PHE A 296
ALA A 266
LEU A 257
None
1.05A 4ejgD-3wv4A:
undetectable
4ejgD-3wv4A:
22.49
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E


(Caulobacter sp.
K31)
PF01532
(Glyco_hydro_47)
4 ASN A 170
ALA A 117
THR A 122
LEU A 149
None
1.03A 4ejgD-4ayrA:
undetectable
4ejgD-4ayrA:
21.57
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.
4bgd PRE-MRNA-SPLICING
FACTOR 8


(Saccharomyces
cerevisiae)
PF08084
(PROCT)
4 PHE C2329
ASN C2318
ALA C2275
LEU C2307
None
0.99A 4ejgD-4bgdC:
undetectable
4ejgD-4bgdC:
23.65
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.
4bvl PHB DEPOLYMERASE
PHAZ7


(Paucimonas
lemoignei)
PF01674
(Lipase_2)
4 PHE A 307
ALA A 101
THR A 183
LEU A 168
None
1.03A 4ejgD-4bvlA:
undetectable
4ejgD-4bvlA:
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER


(Legionella
pneumophila;
Rickettsia
prowazekii)
PF01369
(Sec7)
4 PHE A 255
PHE A 251
ALA A 136
LEU A 166
None
1.00A 4ejgD-4d7qA:
undetectable
4ejgD-4d7qA:
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.
4j4b PYLD

(Methanosarcina
barkeri)
no annotation 4 ASN A 208
ALA A 229
THR A 223
LEU A 242
None
NA  A 902 ( 4.1A)
None
None
1.02A 4ejgD-4j4bA:
undetectable
4ejgD-4j4bA:
19.71
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA


(Bacillus
subtilis)
PF01041
(DegT_DnrJ_EryC1)
4 PHE A 243
ALA A 223
THR A 239
LEU A 114
None
0.95A 4ejgD-4k2bA:
undetectable
4ejgD-4k2bA:
21.97
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C


(Streptococcus
mutans)
no annotation 4 PHE A  29
ASN A  41
ALA A  43
LEU A   4
None
0.98A 4ejgD-4l9aA:
undetectable
4ejgD-4l9aA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A


(Rattus
norvegicus)
PF01467
(CTP_transf_like)
4 PHE A  85
PHE A  88
ALA A  95
LEU A 108
CDC  A 401 (-4.6A)
None
CDC  A 401 (-3.5A)
None
1.01A 4ejgD-4mvcA:
undetectable
4ejgD-4mvcA:
20.73
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE


(Sinorhizobium
meliloti)
PF06253
(MTTB)
4 PHE A 251
PHE A  76
ALA A 301
LEU A  69
None
0.87A 4ejgD-4yycA:
undetectable
4ejgD-4yycA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z48 UNCHARACTERIZED
PROTEIN


(Desulfovibrio
piger)
PF17131
(LolA_like)
4 PHE A  70
PHE A  90
THR A 244
LEU A 142
None
0.93A 4ejgD-4z48A:
undetectable
4ejgD-4z48A:
20.25
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.
5bnn CAPSID PROTEIN VP2

(Enterovirus D)
PF00073
(Rhv)
4 ASN B  30
ALA B  28
THR B  25
LEU B  16
None
1.04A 4ejgD-5bnnB:
undetectable
4ejgD-5bnnB:
18.05
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79


(Burkholderia
pseudomallei)
PF12891
(Glyco_hydro_44)
4 PHE A 327
ASN A 279
ALA A 283
LEU A 335
None
1.00A 4ejgD-5bwiA:
undetectable
4ejgD-5bwiA:
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.
5cbh ION TRANSPORT 2
DOMAIN PROTEIN


(Tsukamurella
paurometabola)
PF07885
(Ion_trans_2)
4 PHE A  91
ALA A  32
THR A  36
LEU A  54
None
1.04A 4ejgD-5cbhA:
undetectable
4ejgD-5cbhA:
15.55
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.
5cyw INTERFERON
ANTAGONIST C7


(Vaccinia virus)
PF03287
(Pox_C7_F8A)
4 PHE B  44
ALA B  65
THR B  95
LEU B  90
None
None
None
GOL  B 201 (-4.9A)
1.00A 4ejgD-5cywB:
undetectable
4ejgD-5cywB:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ed7 TEGUMENT PROTEIN
UL21


(Human
alphaherpesvirus
1)
PF03252
(Herpes_UL21)
4 PHE A 501
ASN A 395
ALA A 393
LEU A 287
None
0.96A 4ejgD-5ed7A:
0.7
4ejgD-5ed7A:
19.72
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32


(Mycobacterium
marinum)
PF00501
(AMP-binding)
4 ASN A 311
ALA A 279
THR A 236
LEU A 349
None
5SV  A 701 ( 3.7A)
5SV  A 701 ( 3.7A)
5SV  A 701 (-4.6A)
0.96A 4ejgD-5ey9A:
undetectable
4ejgD-5ey9A:
22.32
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.
5fn4 NICASTRIN

(Homo sapiens)
PF05450
(Nicastrin)
4 PHE A 103
PHE A 134
ASN A 169
ALA A 172
None
0.99A 4ejgD-5fn4A:
undetectable
4ejgD-5fn4A:
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A


(Dictyostelium
discoideum;
Homo sapiens)
PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N)
4 PHE A 411
ASN A 619
ALA A 439
LEU A 380
None
0.85A 4ejgD-5i4eA:
undetectable
4ejgD-5i4eA:
19.00
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE


(Pseudomonas
aeruginosa)
PF00202
(Aminotran_3)
5 PHE A 346
PHE A 359
ALA A 419
THR A 415
LEU A 393
None
None
None
None
EDO  A 502 ( 3.8A)
1.49A 4ejgD-5i92A:
undetectable
4ejgD-5i92A:
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.
5jou ALPHA-XYLOSIDASE
BOGH31A


(Bacteroides
ovatus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
4 PHE A 169
ASN A 647
ALA A 649
THR A 758
None
0.99A 4ejgD-5jouA:
undetectable
4ejgD-5jouA:
19.44
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA


(Escherichia
coli)
PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD)
4 ASN A 486
ALA A 488
THR A 511
LEU A 135
None
0.98A 4ejgD-5k9tA:
undetectable
4ejgD-5k9tA:
21.75
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.
5ltv CHEMOTACTIC
TRANSDUCER PCTC


(Pseudomonas
aeruginosa)
PF02743
(dCache_1)
4 ASN A  56
ALA A  54
THR A 249
LEU A 263
None
1.05A 4ejgD-5ltvA:
undetectable
4ejgD-5ltvA:
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.
5lw5 RNA REPLICASE
POLYPROTEIN


(Turnip yellow
mosaic virus)
no annotation 4 PHE A 749
PHE A 764
ALA A 831
LEU A 803
None
1.03A 4ejgD-5lw5A:
undetectable
4ejgD-5lw5A:
16.88
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.
5ncw SERPIN-TYPE
PROTEINASE
INHIBITOR, MIROPIN


(Tannerella
forsythia)
PF00079
(Serpin)
5 PHE A   8
ASN A  37
ALA A  35
THR A 323
LEU A 271
None
IOD  A 507 ( 4.8A)
None
None
None
1.47A 4ejgD-5ncwA:
undetectable
4ejgD-5ncwA:
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.
5osn CAPSID PROTEIN

(Enterovirus E)
PF00073
(Rhv)
4 ASN B  28
ALA B  26
THR B  23
LEU B  14
None
1.01A 4ejgD-5osnB:
undetectable
4ejgD-5osnB:
18.58
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.
5ve8 KAP123

(Kluyveromyces
lactis)
no annotation 4 PHE A 861
PHE A 857
ALA A 886
LEU A 808
None
0.97A 4ejgD-5ve8A:
undetectable
4ejgD-5ve8A:
17.33
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2


(Saccharomyces
cerevisiae)
no annotation 4 PHE A 209
ALA A 194
THR A 192
LEU A 259
None
0.95A 4ejgD-5vncA:
undetectable
4ejgD-5vncA:
9.35
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.
5w0t PROTEIN MSP1

(Saccharomyces
cerevisiae)
PF00004
(AAA)
4 PHE A 281
ALA A 287
THR A 290
LEU A 301
None
1.02A 4ejgD-5w0tA:
undetectable
4ejgD-5w0tA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens)
no annotation 4 PHE A 115
ALA A 298
THR A 302
LEU A 363
9ZJ  A 502 (-4.7A)
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
HEM  A 501 (-4.3A)
0.44A 4ejgD-5wbgA:
56.4
4ejgD-5wbgA:
65.00
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.
5wm4 SALICYLATE-AMP
LIGASE


(Streptomyces
gandocaensis)
no annotation 4 PHE A 113
PHE A 109
ALA A 260
LEU A 209
None
1.02A 4ejgD-5wm4A:
undetectable
4ejgD-5wm4A:
9.66
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.
5wp0 NH(3)-DEPENDENT
NAD(+) SYNTHETASE


(Aliivibrio
fischeri)
PF02540
(NAD_synthase)
4 ASN A 194
ALA A 170
THR A 174
LEU A 257
None
0.98A 4ejgD-5wp0A:
undetectable
4ejgD-5wp0A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wqw N-ACETYLGLUCOSAMINID
ASE


(Clostridium
perfringens)
PF01832
(Glucosaminidase)
4 PHE A1021
ASN A1019
ALA A1055
LEU A 944
EDO  A1202 (-4.7A)
EDO  A1202 (-3.7A)
EDO  A1202 (-3.6A)
None
0.83A 4ejgD-5wqwA:
undetectable
4ejgD-5wqwA:
19.18
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.
5wxi EARP

(Neisseria
meningitidis)
no annotation 4 PHE A 273
PHE A 283
ALA A 306
LEU A 361
None
0.99A 4ejgD-5wxiA:
undetectable
4ejgD-5wxiA:
9.57
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.
5xdy HEAT SHOCK PROTEIN
HTRA


(Mycobacterium
tuberculosis)
no annotation 4 ASN A 277
ALA A 275
THR A 284
LEU A 310
None
0.97A 4ejgD-5xdyA:
undetectable
4ejgD-5xdyA:
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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN


(Salmonella
enterica)
no annotation 4 PHE E 313
PHE E 324
ALA E 258
LEU E 285
None
0.99A 4ejgD-5xykE:
undetectable
4ejgD-5xykE:
11.02
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.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE


(Komagataella
phaffii)
no annotation 4 PHE A 260
PHE A 237
ALA A  95
LEU A 251
None
1.04A 4ejgD-5z0yA:
undetectable
4ejgD-5z0yA:
9.66
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.
6c0w CENTROMERE PROTEIN N

(Homo sapiens)
no annotation 4 PHE K 104
ALA K 161
THR K 163
LEU K 175
PHE  K 104 ( 1.3A)
ALA  K 161 ( 0.0A)
THR  K 163 ( 0.8A)
LEU  K 175 ( 0.5A)
0.89A 4ejgD-6c0wK:
undetectable
4ejgD-6c0wK:
10.50
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.
6ckp THIOREDOXIN

(Brucella
melitensis)
no annotation 4 PHE A  11
ASN A  62
ALA A  66
LEU A  78
None
1.00A 4ejgD-6ckpA:
undetectable
4ejgD-6ckpA:
9.58
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.
6eqt CENTROMERE PROTEIN N

(Homo sapiens)
no annotation 4 PHE A 104
ALA A 161
THR A 163
LEU A 175
None
0.96A 4ejgD-6eqtA:
undetectable
4ejgD-6eqtA:
10.50
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.
6fhe -

(-)
no annotation 4 ASN A  34
ALA A  40
THR A  43
LEU A  50
None
0.84A 4ejgD-6fheA:
undetectable
4ejgD-6fheA:
undetectable