SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOE_H_TR6H101_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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE


(Serratia
marcescens)
PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C)
4 SER A 500
GLY A 619
ASP A 618
GLY A 537
None
0.84A 4koeA-1c7tA:
undetectable
4koeB-1c7tA:
undetectable
4koeD-1c7tA:
undetectable
4koeA-1c7tA:
20.55
4koeB-1c7tA:
20.55
4koeD-1c7tA:
16.00
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)


(Hepacivirus C)
PF00998
(RdRP_3)
4 SER A 121
GLY A 104
ASP A 107
GLY A 102
None
0.95A 4koeA-1csjA:
undetectable
4koeB-1csjA:
3.9
4koeD-1csjA:
undetectable
4koeA-1csjA:
21.90
4koeB-1csjA:
21.90
4koeD-1csjA:
18.88
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.
1d02 TYPE II RESTRICTION
ENZYME MUNI


(Mycoplasma)
PF11407
(RestrictionMunI)
4 SER A 122
GLY A 104
ASP A 159
GLY A 116
None
0.94A 4koeA-1d02A:
undetectable
4koeB-1d02A:
undetectable
4koeD-1d02A:
undetectable
4koeA-1d02A:
17.62
4koeB-1d02A:
17.62
4koeD-1d02A:
22.34
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.
1dpp DIPEPTIDE BINDING
PROTEIN


(Escherichia
coli)
PF00496
(SBP_bac_5)
4 SER A 156
GLY A 497
GLY A  22
GLU A   8
None
None
LEU  A1002 (-3.8A)
None
0.84A 4koeA-1dppA:
4.1
4koeB-1dppA:
4.2
4koeD-1dppA:
undetectable
4koeA-1dppA:
22.70
4koeB-1dppA:
22.70
4koeD-1dppA:
19.41
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.
1dqw OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Saccharomyces
cerevisiae)
PF00215
(OMPdecase)
4 GLY A 205
ASP A 207
GLY A 236
GLU A 247
None
0.93A 4koeA-1dqwA:
undetectable
4koeB-1dqwA:
undetectable
4koeD-1dqwA:
undetectable
4koeA-1dqwA:
21.16
4koeB-1dqwA:
21.16
4koeD-1dqwA:
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN


(Homo sapiens)
PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core)
4 GLY A 473
ASP A 472
GLY A 470
GLU A 203
None
0.75A 4koeA-1ex0A:
undetectable
4koeB-1ex0A:
undetectable
4koeD-1ex0A:
undetectable
4koeA-1ex0A:
21.26
4koeB-1ex0A:
21.26
4koeD-1ex0A:
16.67
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.
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50


(Homo sapiens)
PF00595
(PDZ)
4 ARG A  80
GLY A  23
GLY A  25
GLU A  43
None
0.82A 4koeA-1gq4A:
undetectable
4koeB-1gq4A:
undetectable
4koeD-1gq4A:
undetectable
4koeA-1gq4A:
12.27
4koeB-1gq4A:
12.27
4koeD-1gq4A:
14.93
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis)
PF00082
(Peptidase_S8)
4 SER 1 278
GLY 1  36
ASP 1  76
GLY 1  34
None
0.92A 4koeA-1gt91:
undetectable
4koeB-1gt91:
undetectable
4koeD-1gt91:
undetectable
4koeA-1gt91:
20.52
4koeB-1gt91:
20.52
4koeD-1gt91:
19.50
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum)
PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ)
4 GLY A1003
ASP A1002
GLY A 751
GLU A 749
None
0.93A 4koeA-1k32A:
undetectable
4koeB-1k32A:
undetectable
4koeD-1k32A:
undetectable
4koeA-1k32A:
19.58
4koeB-1k32A:
19.58
4koeD-1k32A:
13.45
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.
1pie GALACTOKINASE

(Lactococcus
lactis)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg)
4 ARG A 236
GLY A 349
GLY A 324
GLU A 326
None
0.89A 4koeA-1pieA:
undetectable
4koeB-1pieA:
2.6
4koeD-1pieA:
undetectable
4koeA-1pieA:
23.79
4koeB-1pieA:
23.79
4koeD-1pieA:
20.80
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE


(Fervidobacterium
pennivorans)
PF00082
(Peptidase_S8)
4 GLY A 172
ASP A 170
GLY A 205
GLU A 368
None
0.93A 4koeA-1r6vA:
undetectable
4koeB-1r6vA:
3.5
4koeD-1r6vA:
undetectable
4koeA-1r6vA:
21.93
4koeB-1r6vA:
21.93
4koeD-1r6vA:
18.09
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis)
PF02595
(Gly_kinase)
4 SER A 293
GLY A  42
GLY A  44
GLU A  87
None
0.87A 4koeA-1to6A:
undetectable
4koeB-1to6A:
undetectable
4koeD-1to6A:
4.8
4koeA-1to6A:
21.51
4koeB-1to6A:
21.51
4koeD-1to6A:
22.87
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
4 GLY A 193
ASP A 194
GLY A  68
GLU A  72
None
0.88A 4koeA-1v1pA:
undetectable
4koeB-1v1pA:
undetectable
4koeD-1v1pA:
undetectable
4koeA-1v1pA:
21.22
4koeB-1v1pA:
21.22
4koeD-1v1pA:
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY


(Nostoc sp. PCC
7120)
PF13472
(Lipase_GDSL_2)
4 SER A  83
GLY A  23
ASP A  24
GLU A 174
None
0.87A 4koeA-1vjgA:
undetectable
4koeB-1vjgA:
undetectable
4koeD-1vjgA:
3.4
4koeA-1vjgA:
17.85
4koeB-1vjgA:
17.85
4koeD-1vjgA:
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.
1xvy SFUA

(Yersinia
enterocolitica)
PF13343
(SBP_bac_6)
4 GLY A  21
ASP A  25
GLY A 254
GLU A 256
None
0.93A 4koeA-1xvyA:
undetectable
4koeB-1xvyA:
undetectable
4koeD-1xvyA:
undetectable
4koeA-1xvyA:
23.01
4koeB-1xvyA:
23.01
4koeD-1xvyA:
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4


(Azotobacter
vinelandii)
PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C)
4 GLY A 131
ASP A 130
GLY A 108
GLU A 107
None
0.82A 4koeA-2agmA:
undetectable
4koeB-2agmA:
undetectable
4koeD-2agmA:
undetectable
4koeA-2agmA:
16.29
4koeB-2agmA:
16.29
4koeD-2agmA:
25.27
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.
2d3r LECTIN ALPHA CHAIN

(Cratylia
argentea)
PF00139
(Lectin_legB)
4 ARG A 171
SER A 218
GLY A 225
GLY A 223
None
0.96A 4koeA-2d3rA:
undetectable
4koeB-2d3rA:
undetectable
4koeD-2d3rA:
undetectable
4koeA-2d3rA:
17.55
4koeB-2d3rA:
17.55
4koeD-2d3rA:
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Sulfurisphaera
tokodaii)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 SER A 157
GLY A 305
ASP A 327
GLY A 335
None
0.95A 4koeA-2ep5A:
undetectable
4koeB-2ep5A:
undetectable
4koeD-2ep5A:
2.2
4koeA-2ep5A:
22.09
4koeB-2ep5A:
22.09
4koeD-2ep5A:
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.
2fep CATABOLITE CONTROL
PROTEIN A


(Bacillus
subtilis)
PF13377
(Peripla_BP_3)
4 GLY A 220
ASP A 221
GLY A 227
GLU A 229
None
0.85A 4koeA-2fepA:
undetectable
4koeB-2fepA:
undetectable
4koeD-2fepA:
3.4
4koeA-2fepA:
21.10
4koeB-2fepA:
21.10
4koeD-2fepA:
25.24
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae)
PF00480
(ROK)
4 SER A 235
ASP A 100
GLY A 129
GLU A 147
None
TRS  A 293 (-2.8A)
None
None
0.69A 4koeA-2gupA:
undetectable
4koeB-2gupA:
undetectable
4koeD-2gupA:
2.5
4koeA-2gupA:
20.76
4koeB-2gupA:
20.76
4koeD-2gupA:
18.24
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.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae)
PF00481
(PP2C)
4 SER A 426
GLY A 478
ASP A 479
GLU A  63
None
0.95A 4koeA-2i0oA:
undetectable
4koeB-2i0oA:
undetectable
4koeD-2i0oA:
undetectable
4koeA-2i0oA:
22.16
4koeB-2i0oA:
22.16
4koeD-2i0oA:
19.94
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS


(Bacillus
subtilis)
PF01680
(SOR_SNZ)
4 ARG A 147
SER A 104
GLY A 214
GLY A 153
None
0.86A 4koeA-2nv2A:
undetectable
4koeB-2nv2A:
undetectable
4koeD-2nv2A:
undetectable
4koeA-2nv2A:
20.85
4koeB-2nv2A:
20.85
4koeD-2nv2A:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE


(Danio rerio)
PF00149
(Metallophos)
4 GLY A 269
ASP A 266
GLY A 285
GLU A 288
None
0.85A 4koeA-2nxfA:
undetectable
4koeB-2nxfA:
undetectable
4koeD-2nxfA:
undetectable
4koeA-2nxfA:
22.56
4koeB-2nxfA:
22.56
4koeD-2nxfA:
18.21
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6


(Homo sapiens)
PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III)
4 ARG B 581
SER B 714
GLY B 557
GLY B 571
None
0.91A 4koeA-2o8eB:
undetectable
4koeB-2o8eB:
undetectable
4koeD-2o8eB:
undetectable
4koeA-2o8eB:
18.70
4koeB-2o8eB:
18.70
4koeD-2o8eB:
13.79
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50


(Geobacillus
stearothermophilus)
PF00135
(COesterase)
4 GLY A  84
ASP A  83
GLY A  58
GLU A  78
GLY  A  84 ( 0.0A)
ASP  A  83 ( 0.6A)
GLY  A  58 ( 0.0A)
GLU  A  78 ( 0.6A)
0.96A 4koeA-2ogsA:
undetectable
4koeB-2ogsA:
undetectable
4koeD-2ogsA:
2.5
4koeA-2ogsA:
23.33
4koeB-2ogsA:
23.33
4koeD-2ogsA:
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans)
PF00026
(Asp)
4 SER A  88
GLY A 125
ASP A  37
GLY A  34
None
0.95A 4koeA-2qzxA:
undetectable
4koeB-2qzxA:
undetectable
4koeD-2qzxA:
undetectable
4koeA-2qzxA:
23.11
4koeB-2qzxA:
23.11
4koeD-2qzxA:
23.42
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.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE


(Plasmodium
falciparum)
PF00254
(FKBP_C)
4 SER A  50
GLY A 100
GLY A 105
GLU A 104
None
0.96A 4koeA-2vn1A:
undetectable
4koeB-2vn1A:
undetectable
4koeD-2vn1A:
undetectable
4koeA-2vn1A:
14.66
4koeB-2vn1A:
14.66
4koeD-2vn1A:
16.85
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E


(Bacteroides
thetaiotaomicron)
PF07971
(Glyco_hydro_92)
4 ARG A 351
ASP A 644
GLY A 600
GLU A 588
None
CA  A 800 ( 2.8A)
None
None
0.87A 4koeA-2wzsA:
undetectable
4koeB-2wzsA:
2.6
4koeD-2wzsA:
undetectable
4koeA-2wzsA:
21.49
4koeB-2wzsA:
21.49
4koeD-2wzsA:
15.92
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 GLY A 396
ASP A 397
GLY A 419
GLU A 437
None
0.69A 4koeA-2xkkA:
48.2
4koeB-2xkkA:
48.1
4koeD-2xkkA:
24.5
4koeA-2xkkA:
27.59
4koeB-2xkkA:
27.59
4koeD-2xkkA:
17.71
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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa)
PF04351
(PilP)
4 ARG A 164
GLY A 138
ASP A 137
GLY A 134
None
0.78A 4koeA-2y4yA:
undetectable
4koeB-2y4yA:
undetectable
4koeD-2y4yA:
undetectable
4koeA-2y4yA:
11.91
4koeB-2y4yA:
11.91
4koeD-2y4yA:
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.
2yp1 AROMATIC
PEROXYGENASE


(Agrocybe
aegerita)
PF01328
(Peroxidase_2)
4 SER A 271
GLY A 123
ASP A 124
GLY A 119
None
HEM  A 350 ( 3.8A)
None
None
0.78A 4koeA-2yp1A:
undetectable
4koeB-2yp1A:
undetectable
4koeD-2yp1A:
undetectable
4koeA-2yp1A:
20.56
4koeB-2yp1A:
20.56
4koeD-2yp1A:
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.
2yp1 AROMATIC
PEROXYGENASE


(Agrocybe
aegerita)
PF01328
(Peroxidase_2)
4 SER A 272
GLY A 123
ASP A 124
GLY A 119
None
HEM  A 350 ( 3.8A)
None
None
0.92A 4koeA-2yp1A:
undetectable
4koeB-2yp1A:
undetectable
4koeD-2yp1A:
undetectable
4koeA-2yp1A:
20.56
4koeB-2yp1A:
20.56
4koeD-2yp1A:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii)
PF00194
(Carb_anhydrase)
4 SER A 265
GLY A  37
ASP A  38
GLY A  56
None
0.90A 4koeA-3b1bA:
undetectable
4koeB-3b1bA:
undetectable
4koeD-3b1bA:
undetectable
4koeA-3b1bA:
21.10
4koeB-3b1bA:
21.10
4koeD-3b1bA:
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.
3bt3 GLYOXALASE-RELATED
ENZYME, ARAC TYPE


(Lachnoclostridium
phytofermentans)
no annotation 4 GLY A 177
ASP A 178
GLY A 175
GLU A 174
None
0.89A 4koeA-3bt3A:
undetectable
4koeB-3bt3A:
undetectable
4koeD-3bt3A:
undetectable
4koeA-3bt3A:
15.30
4koeB-3bt3A:
15.30
4koeD-3bt3A:
19.14
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.
3fou QUINOL-CYTOCHROME C
REDUCTASE, RIESKE
IRON-SULFUR SUBUNIT


(Thermus
thermophilus)
PF00355
(Rieske)
4 GLY A  55
ASP A  56
GLY A 191
GLU A 192
None
0.85A 4koeA-3fouA:
undetectable
4koeB-3fouA:
undetectable
4koeD-3fouA:
undetectable
4koeA-3fouA:
15.23
4koeB-3fouA:
15.23
4koeD-3fouA:
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.
3gq9 PRENECK APPENDAGE
PROTEIN


(Bacillus virus
phi29)
PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3)
4 SER A 456
GLY A 531
ASP A 506
GLY A 503
None
0.71A 4koeA-3gq9A:
undetectable
4koeB-3gq9A:
undetectable
4koeD-3gq9A:
undetectable
4koeA-3gq9A:
21.23
4koeB-3gq9A:
21.23
4koeD-3gq9A:
17.38
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.
3gxa OUTER MEMBRANE
LIPOPROTEIN GNA1946


(Neisseria
meningitidis)
PF03180
(Lipoprotein_9)
4 SER A 203
GLY A 214
GLY A 127
GLU A 231
None
0.94A 4koeA-3gxaA:
undetectable
4koeB-3gxaA:
undetectable
4koeD-3gxaA:
undetectable
4koeA-3gxaA:
21.96
4koeB-3gxaA:
21.96
4koeD-3gxaA:
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B


(Sulfolobus
solfataricus)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
4 ARG B 525
GLY B 302
ASP B 307
GLY B 195
None
0.95A 4koeA-3hkzB:
undetectable
4koeB-3hkzB:
undetectable
4koeD-3hkzB:
undetectable
4koeA-3hkzB:
19.36
4koeB-3hkzB:
19.36
4koeD-3hkzB:
12.48
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.
3ir1 OUTER MEMBRANE
LIPOPROTEIN GNA1946


(Neisseria
meningitidis)
PF03180
(Lipoprotein_9)
4 SER A 203
GLY A 214
GLY A 127
GLU A 231
None
0.93A 4koeA-3ir1A:
undetectable
4koeB-3ir1A:
undetectable
4koeD-3ir1A:
undetectable
4koeA-3ir1A:
19.64
4koeB-3ir1A:
19.64
4koeD-3ir1A:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN


(Mycobacterium
tuberculosis)
PF01960
(ArgJ)
4 ARG B 285
ASP B 278
GLY B 281
GLU B 398
None
0.83A 4koeA-3it4B:
undetectable
4koeB-3it4B:
undetectable
4koeD-3it4B:
undetectable
4koeA-3it4B:
19.26
4koeB-3it4B:
19.26
4koeD-3it4B:
20.51
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.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE


(Yersinia pestis)
PF02348
(CTP_transf_3)
4 SER A   2
GLY A 190
ASP A  90
GLU A  84
None
0.91A 4koeA-3jtjA:
undetectable
4koeB-3jtjA:
undetectable
4koeD-3jtjA:
undetectable
4koeA-3jtjA:
19.23
4koeB-3jtjA:
19.23
4koeD-3jtjA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465


(Oleispira
antarctica)
PF01979
(Amidohydro_1)
4 SER A 141
GLY A  89
ASP A 148
GLY A 332
None
0.91A 4koeA-3lnpA:
undetectable
4koeB-3lnpA:
undetectable
4koeD-3lnpA:
undetectable
4koeA-3lnpA:
23.94
4koeB-3lnpA:
23.94
4koeD-3lnpA:
20.34
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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE


(Bacteroides
fragilis)
PF12715
(Abhydrolase_7)
4 SER A 402
GLY A 148
GLY A 152
GLU A 151
None
0.75A 4koeA-3nuzA:
undetectable
4koeB-3nuzA:
undetectable
4koeD-3nuzA:
3.0
4koeA-3nuzA:
22.70
4koeB-3nuzA:
22.70
4koeD-3nuzA:
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1


(Saccharomyces
cerevisiae)
PF01680
(SOR_SNZ)
4 ARG A 146
SER A 103
GLY A 214
GLY A 152
None
0.89A 4koeA-3o07A:
undetectable
4koeB-3o07A:
undetectable
4koeD-3o07A:
undetectable
4koeA-3o07A:
21.91
4koeB-3o07A:
21.91
4koeD-3o07A:
23.84
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC


(Bacillus
anthracis)
PF00425
(Chorismate_bind)
4 GLY A 214
ASP A 238
GLY A 364
GLU A 374
SO4  A 404 (-3.8A)
None
SO4  A 404 (-3.8A)
None
0.88A 4koeA-3os6A:
undetectable
4koeB-3os6A:
undetectable
4koeD-3os6A:
undetectable
4koeA-3os6A:
23.12
4koeB-3os6A:
23.12
4koeD-3os6A:
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis)
PF12697
(Abhydrolase_6)
4 SER A 310
GLY A 117
ASP A 112
GLU A  44
None
0.86A 4koeA-3p2mA:
undetectable
4koeB-3p2mA:
undetectable
4koeD-3p2mA:
3.9
4koeA-3p2mA:
20.24
4koeB-3p2mA:
20.24
4koeD-3p2mA:
25.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pa7 70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE


(Plasmodium
vivax)
PF00254
(FKBP_C)
4 SER A  49
GLY A  99
GLY A 104
GLU A 103
None
0.78A 4koeA-3pa7A:
undetectable
4koeB-3pa7A:
undetectable
4koeD-3pa7A:
undetectable
4koeA-3pa7A:
12.78
4koeB-3pa7A:
12.78
4koeD-3pa7A:
18.22
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.
3qgh RNA-DIRECTED RNA
POLYMERASE


(Hepacivirus C)
PF00998
(RdRP_3)
4 GLY A 558
ASP A 559
GLY A 449
GLU A 446
None
0.87A 4koeA-3qghA:
2.9
4koeB-3qghA:
2.8
4koeD-3qghA:
undetectable
4koeA-3qghA:
21.65
4koeB-3qghA:
21.65
4koeD-3qghA:
19.09
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.
3qgh RNA-DIRECTED RNA
POLYMERASE


(Hepacivirus C)
PF00998
(RdRP_3)
4 SER A 121
GLY A 104
ASP A 107
GLY A 102
None
0.91A 4koeA-3qghA:
2.9
4koeB-3qghA:
2.8
4koeD-3qghA:
undetectable
4koeA-3qghA:
21.65
4koeB-3qghA:
21.65
4koeD-3qghA:
19.09
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M


(Escherichia
coli)
no annotation 4 SER M 489
GLY M 402
GLY M 406
GLU M 407
None
0.90A 4koeA-3rkoM:
undetectable
4koeB-3rkoM:
undetectable
4koeD-3rkoM:
undetectable
4koeA-3rkoM:
21.18
4koeB-3rkoM:
21.18
4koeD-3rkoM:
18.13
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.
3suc PRENECK APPENDAGE
PROTEIN


(Bacillus virus
phi29)
PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3)
4 SER A 456
GLY A 531
ASP A 506
GLY A 503
None
0.84A 4koeA-3sucA:
undetectable
4koeB-3sucA:
undetectable
4koeD-3sucA:
undetectable
4koeA-3sucA:
20.40
4koeB-3sucA:
20.40
4koeD-3sucA:
15.65
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli)
PF02395
(Peptidase_S6)
4 SER A 143
GLY A 453
ASP A 452
GLY A 477
None
0.81A 4koeA-3szeA:
undetectable
4koeB-3szeA:
undetectable
4koeD-3szeA:
undetectable
4koeA-3szeA:
18.75
4koeB-3szeA:
18.75
4koeD-3szeA:
13.80
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.
3up9 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Actinomyces
odontolyticus)
PF03180
(Lipoprotein_9)
4 SER A 196
GLY A 207
GLY A 123
GLU A 225
None
0.81A 4koeA-3up9A:
undetectable
4koeB-3up9A:
undetectable
4koeD-3up9A:
undetectable
4koeA-3up9A:
21.38
4koeB-3up9A:
21.38
4koeD-3up9A:
22.71
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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP


(Salmonella
enterica)
PF00814
(Peptidase_M22)
4 SER B   9
GLY B 163
ASP B 167
GLY B 268
AGS  B1342 ( 4.9A)
ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
0.86A 4koeA-3zeuB:
undetectable
4koeB-3zeuB:
undetectable
4koeD-3zeuB:
undetectable
4koeA-3zeuB:
23.53
4koeB-3zeuB:
23.53
4koeD-3zeuB:
22.77
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE


(Bacteroides
thetaiotaomicron)
PF07494
(Reg_prop)
PF07495
(Y_Y_Y)
4 SER A 360
GLY A 404
GLY A 428
GLU A 452
None
0.85A 4koeA-4a2lA:
undetectable
4koeB-4a2lA:
undetectable
4koeD-4a2lA:
undetectable
4koeA-4a2lA:
21.81
4koeB-4a2lA:
21.81
4koeD-4a2lA:
16.86
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.
4acz ENDO-ALPHA-MANNOSIDA
SE


(Bacteroides
thetaiotaomicron)
PF16317
(Glyco_hydro_99)
4 SER B 121
GLY B 244
ASP B 243
GLY B 226
None
0.89A 4koeA-4aczB:
undetectable
4koeB-4aczB:
undetectable
4koeD-4aczB:
undetectable
4koeA-4aczB:
21.69
4koeB-4aczB:
21.69
4koeD-4aczB:
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus)
PF00994
(MoCF_biosynth)
PF02464
(CinA)
4 GLY A  69
ASP A  76
GLY A  10
GLU A  12
ATP  A 400 (-3.6A)
ATP  A 400 (-3.7A)
None
None
0.94A 4koeA-4ctaA:
undetectable
4koeB-4ctaA:
3.3
4koeD-4ctaA:
2.3
4koeA-4ctaA:
23.09
4koeB-4ctaA:
23.09
4koeD-4ctaA:
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus)
PF01979
(Amidohydro_1)
4 SER A 342
GLY A 323
ASP A 325
GLY A 294
None
None
FE  A 501 (-2.8A)
None
0.91A 4koeA-4f0lA:
undetectable
4koeB-4f0lA:
undetectable
4koeD-4f0lA:
undetectable
4koeA-4f0lA:
22.64
4koeB-4f0lA:
22.64
4koeD-4f0lA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans)
PF00202
(Aminotran_3)
4 ARG A 264
SER A  54
GLY A 266
GLU A 347
None
0.91A 4koeA-4grxA:
3.2
4koeB-4grxA:
3.1
4koeD-4grxA:
undetectable
4koeA-4grxA:
23.26
4koeB-4grxA:
23.26
4koeD-4grxA:
20.04
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.
4j3b M1 FAMILY
AMINOPEPTIDASE


(Plasmodium
falciparum)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
4 SER A 316
GLY A 357
ASP A 376
GLY A 466
None
0.87A 4koeA-4j3bA:
2.1
4koeB-4j3bA:
undetectable
4koeD-4j3bA:
undetectable
4koeA-4j3bA:
19.82
4koeB-4j3bA:
19.82
4koeD-4j3bA:
14.38
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN


(Micromonospora
viridifaciens)
PF13088
(BNR_2)
4 GLY A 293
ASP A 291
GLY A 251
GLU A 252
None
GOL  A 501 (-4.7A)
None
None
0.95A 4koeA-4j9tA:
undetectable
4koeB-4j9tA:
undetectable
4koeD-4j9tA:
undetectable
4koeA-4j9tA:
21.38
4koeB-4j9tA:
21.38
4koeD-4j9tA:
17.57
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS


(Mycobacterium
tuberculosis)
PF01680
(SOR_SNZ)
4 ARG A 152
SER A 109
GLY A 219
GLY A 158
None
0.93A 4koeA-4jdyA:
undetectable
4koeB-4jdyA:
undetectable
4koeD-4jdyA:
undetectable
4koeA-4jdyA:
20.00
4koeB-4jdyA:
20.00
4koeD-4jdyA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis)
PF11175
(DUF2961)
4 GLY A 294
ASP A 277
GLY A 274
GLU A 230
None
0.92A 4koeA-4kq7A:
undetectable
4koeB-4kq7A:
undetectable
4koeD-4kq7A:
undetectable
4koeA-4kq7A:
21.44
4koeB-4kq7A:
21.44
4koeD-4kq7A:
20.48
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE


(Cryptosporidium
parvum)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 SER A 205
GLY A 165
ASP A 168
GLY A 288
None
0.79A 4koeA-4nd4A:
undetectable
4koeB-4nd4A:
undetectable
4koeD-4nd4A:
2.4
4koeA-4nd4A:
21.85
4koeB-4nd4A:
21.85
4koeD-4nd4A:
20.30
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE


(Thermomonospora
curvata)
PF01580
(FtsK_SpoIIIE)
4 SER A1150
GLY A1116
ASP A1117
GLY A1121
None
None
None
ATP  A1404 (-3.2A)
0.93A 4koeA-4nh0A:
undetectable
4koeB-4nh0A:
undetectable
4koeD-4nh0A:
3.2
4koeA-4nh0A:
18.05
4koeB-4nh0A:
18.05
4koeD-4nh0A:
13.54
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Vibrio cholerae)
PF01546
(Peptidase_M20)
4 SER A 105
GLY A 218
ASP A 217
GLY A 214
None
BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
0.85A 4koeA-4op4A:
undetectable
4koeB-4op4A:
undetectable
4koeD-4op4A:
3.3
4koeA-4op4A:
20.48
4koeB-4op4A:
20.48
4koeD-4op4A:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A


(Staphylococcus
aureus)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 SER B1084
GLY B 436
GLY B 459
GLU B 477
None
0.91A 4koeA-4plbB:
53.6
4koeB-4plbB:
53.4
4koeD-4plbB:
28.2
4koeA-4plbB:
32.71
4koeB-4plbB:
32.71
4koeD-4plbB:
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.
4r1d UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 4 ARG A 531
GLY A 432
ASP A 497
GLY A 495
None
0.93A 4koeA-4r1dA:
undetectable
4koeB-4r1dA:
undetectable
4koeD-4r1dA:
3.7
4koeA-4r1dA:
20.96
4koeB-4r1dA:
20.96
4koeD-4r1dA:
17.99
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.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS


(Geobacillus
kaustophilus)
PF01680
(SOR_SNZ)
4 ARG A 147
SER A 104
GLY A 214
GLY A 153
None
L5P  A  81 ( 3.8A)
L5P  A  81 ( 3.7A)
L5P  A  81 ( 3.8A)
0.86A 4koeA-4wxzA:
undetectable
4koeB-4wxzA:
undetectable
4koeD-4wxzA:
undetectable
4koeA-4wxzA:
21.33
4koeB-4wxzA:
21.33
4koeD-4wxzA:
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.
4x8f RIBOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
4 SER A 282
GLY A  38
ASP A  13
GLU A 140
None
0.92A 4koeA-4x8fA:
undetectable
4koeB-4x8fA:
undetectable
4koeD-4x8fA:
2.2
4koeA-4x8fA:
20.95
4koeB-4x8fA:
20.95
4koeD-4x8fA:
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN


(Nakamurella
multipartita)
PF00561
(Abhydrolase_1)
4 SER A 110
GLY A  42
ASP A  64
GLY A  46
None
0.85A 4koeA-4y7dA:
undetectable
4koeB-4y7dA:
undetectable
4koeD-4y7dA:
3.2
4koeA-4y7dA:
20.56
4koeB-4y7dA:
20.56
4koeD-4y7dA:
19.75
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.
4z2e DNA GYRASE SUBUNIT B

(Streptococcus
pneumoniae)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 GLY C 434
ASP C 435
GLY C 457
GLU C 475
None
0.72A 4koeA-4z2eC:
undetectable
4koeB-4z2eC:
undetectable
4koeD-4z2eC:
27.2
4koeA-4z2eC:
19.15
4koeB-4z2eC:
19.15
4koeD-4z2eC:
57.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE


(Streptococcus
pneumoniae)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 GLY A 434
ASP A 435
GLY A 457
GLU A 475
None
0.24A 4koeA-4z3oA:
57.9
4koeB-4z3oA:
57.4
4koeD-4z3oA:
32.0
4koeA-4z3oA:
66.85
4koeB-4z3oA:
66.85
4koeD-4z3oA:
91.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE


(Streptococcus
pneumoniae)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 SER A1080
GLY A 434
GLY A 457
GLU A 475
None
0.65A 4koeA-4z3oA:
57.9
4koeB-4z3oA:
57.4
4koeD-4z3oA:
32.0
4koeA-4z3oA:
66.85
4koeB-4z3oA:
66.85
4koeD-4z3oA:
91.42
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.
5by7 3-OXOACYL-ACP
SYNTHASE III


(Verrucosispora
maris)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 SER A 315
GLY A 131
ASP A 132
GLY A  71
None
0.89A 4koeA-5by7A:
undetectable
4koeB-5by7A:
undetectable
4koeD-5by7A:
undetectable
4koeA-5by7A:
23.97
4koeB-5by7A:
23.97
4koeD-5by7A:
24.87
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.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B


(Staphylococcus
aureus)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
4 GLY B 436
ASP B 437
GLY B 459
GLU B 477
None
0.64A 4koeA-5cdoB:
undetectable
4koeB-5cdoB:
undetectable
4koeD-5cdoB:
29.5
4koeA-5cdoB:
17.99
4koeB-5cdoB:
17.99
4koeD-5cdoB:
53.02
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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN


(Yersinia pestis)
PF00496
(SBP_bac_5)
4 SER A 184
GLY A 525
GLY A  50
GLU A  36
None
GLN  A 608 (-3.8A)
GLN  A 608 ( 3.2A)
None
0.79A 4koeA-5f1qA:
3.2
4koeB-5f1qA:
3.1
4koeD-5f1qA:
undetectable
4koeA-5f1qA:
23.29
4koeB-5f1qA:
23.29
4koeD-5f1qA:
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 SER A  38
GLY A 143
ASP A 103
GLY A 132
None
0.77A 4koeA-5fokA:
undetectable
4koeB-5fokA:
undetectable
4koeD-5fokA:
undetectable
4koeA-5fokA:
21.39
4koeB-5fokA:
21.39
4koeD-5fokA:
16.12
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.
5g4g VCP-LIKE ATPASE

(Thermoplasma
acidophilum)
PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
4 SER A 453
GLY A 362
ASP A 359
GLU A 388
None
0.88A 4koeA-5g4gA:
undetectable
4koeB-5g4gA:
undetectable
4koeD-5g4gA:
undetectable
4koeA-5g4gA:
21.39
4koeB-5g4gA:
21.39
4koeD-5g4gA:
17.70
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.
5gwj DNA TOPOISOMERASE
2-BETA


(Homo sapiens)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
4 GLY A 478
ASP A 479
GLY A 504
GLU A 522
N2W  A1302 ( 3.0A)
N2W  A1302 ( 3.4A)
N2W  A1302 ( 4.4A)
None
0.78A 4koeA-5gwjA:
8.6
4koeB-5gwjA:
31.1
4koeD-5gwjA:
19.9
4koeA-5gwjA:
21.86
4koeB-5gwjA:
21.86
4koeD-5gwjA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN


(Klebsiella
pneumoniae)
PF13407
(Peripla_BP_4)
4 SER A 169
GLY A 139
ASP A 135
GLY A 178
None
0.95A 4koeA-5hsgA:
undetectable
4koeB-5hsgA:
undetectable
4koeD-5hsgA:
3.6
4koeA-5hsgA:
22.54
4koeB-5hsgA:
22.54
4koeD-5hsgA:
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC


(Escherichia
coli)
PF00425
(Chorismate_bind)
4 GLY A 214
ASP A 238
GLY A 363
GLU A 373
ISC  A 401 (-3.2A)
None
ISC  A 401 (-3.3A)
MG  A 402 ( 4.5A)
0.91A 4koeA-5jzdA:
undetectable
4koeB-5jzdA:
1.3
4koeD-5jzdA:
undetectable
4koeA-5jzdA:
22.68
4koeB-5jzdA:
22.68
4koeD-5jzdA:
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.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3


(Arabidopsis
thaliana)
PF01680
(SOR_SNZ)
4 ARG A 163
SER A 120
GLY A 230
GLY A 169
6R3  A 404 (-3.8A)
6R3  A 404 (-3.1A)
SO4  A 403 (-3.4A)
SO4  A 403 (-3.6A)
0.84A 4koeA-5k2zA:
undetectable
4koeB-5k2zA:
undetectable
4koeD-5k2zA:
undetectable
4koeA-5k2zA:
22.07
4koeB-5k2zA:
22.07
4koeD-5k2zA:
22.01
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.
5k3h ACYL-COENZYME A
OXIDASE


(Caenorhabditis
elegans)
PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N)
4 SER A  75
GLY A 194
ASP A 238
GLY A 191
None
0.83A 4koeA-5k3hA:
undetectable
4koeB-5k3hA:
undetectable
4koeD-5k3hA:
undetectable
4koeA-5k3hA:
24.60
4koeB-5k3hA:
24.60
4koeD-5k3hA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE


(Schistosoma
mansoni)
PF01048
(PNP_UDP_1)
5 ARG A  86
SER A 222
GLY A  38
GLY A  36
GLU A 267
EDO  A 302 (-4.3A)
EDO  A 302 (-3.0A)
None
None
None
1.35A 4koeA-5ko5A:
undetectable
4koeB-5ko5A:
undetectable
4koeD-5ko5A:
2.9
4koeA-5ko5A:
21.96
4koeB-5ko5A:
21.96
4koeD-5ko5A:
24.19
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.
5l3r CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC
SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 SER B 331
ASP B 292
GLY A 301
GLU A 303
None
0.96A 4koeA-5l3rB:
undetectable
4koeB-5l3rB:
undetectable
4koeD-5l3rB:
4.0
4koeA-5l3rB:
19.76
4koeB-5l3rB:
19.76
4koeD-5l3rB:
25.32
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.
5lnt PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.1


(Arabidopsis
thaliana)
PF01680
(SOR_SNZ)
4 ARG A 164
SER A 121
GLY A 231
GLY A 170
KPR  A 401 (-4.0A)
KPR  A 401 (-3.2A)
KPR  A 401 (-3.6A)
KPR  A 401 (-3.9A)
0.85A 4koeA-5lntA:
undetectable
4koeB-5lntA:
undetectable
4koeD-5lntA:
undetectable
4koeA-5lntA:
22.76
4koeB-5lntA:
22.76
4koeD-5lntA:
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.
5m49 AMINOTRANSFERASE
CLASS-III


(Rhizobium
freirei)
PF00202
(Aminotran_3)
4 SER A 247
GLY A 219
ASP A 218
GLY A 257
None
0.96A 4koeA-5m49A:
1.1
4koeB-5m49A:
undetectable
4koeD-5m49A:
undetectable
4koeA-5m49A:
22.93
4koeB-5m49A:
22.93
4koeD-5m49A:
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum)
PF12708
(Pectate_lyase_3)
4 ARG A 246
ASP A 389
GLY A 531
GLU A 529
None
0.94A 4koeA-5m60A:
undetectable
4koeB-5m60A:
undetectable
4koeD-5m60A:
undetectable
4koeA-5m60A:
20.25
4koeB-5m60A:
20.25
4koeD-5m60A:
15.92
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
5 ARG A 168
SER A 185
GLY A 235
ASP A 234
GLY A 229
None
1.22A 4koeA-5neuA:
undetectable
4koeB-5neuA:
undetectable
4koeD-5neuA:
undetectable
4koeA-5neuA:
23.88
4koeB-5neuA:
23.88
4koeD-5neuA:
18.94
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)


(Globodera
pallida)
no annotation 4 SER B 333
ASP B 303
GLY B 287
GLU B 286
None
0.88A 4koeA-5oetB:
undetectable
4koeB-5oetB:
undetectable
4koeD-5oetB:
undetectable
4koeA-5oetB:
10.88
4koeB-5oetB:
10.88
4koeD-5oetB:
12.60
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9


(Homo sapiens)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1)
4 ARG A 106
GLY A 112
ASP A 113
GLY A 195
None
0.90A 4koeA-5th6A:
undetectable
4koeB-5th6A:
undetectable
4koeD-5th6A:
undetectable
4koeA-5th6A:
18.15
4koeB-5th6A:
18.15
4koeD-5th6A:
20.79
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2


(Pseudomonas
aeruginosa)
PF09614
(Cas_Csy2)
4 GLY B 117
ASP B 119
GLY B 115
GLU B   7
None
0.84A 4koeA-5uz9B:
undetectable
4koeB-5uz9B:
undetectable
4koeD-5uz9B:
undetectable
4koeA-5uz9B:
22.29
4koeB-5uz9B:
22.29
4koeD-5uz9B:
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)


(Paraburkholderia
xenovorans)
PF00982
(Glyco_transf_20)
4 ARG A 458
GLY A  35
ASP A  38
GLY A 240
ACT  A 506 (-4.3A)
None
None
None
0.87A 4koeA-5v0tA:
undetectable
4koeB-5v0tA:
undetectable
4koeD-5v0tA:
3.2
4koeA-5v0tA:
21.74
4koeB-5v0tA:
21.74
4koeD-5v0tA:
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.
5v9x ATP-DEPENDENT DNA
HELICASE


(Mycolicibacterium
smegmatis)
no annotation 4 GLY A 613
ASP A 661
GLY A 617
GLU A 618
None
0.95A 4koeA-5v9xA:
5.4
4koeB-5v9xA:
5.6
4koeD-5v9xA:
undetectable
4koeA-5v9xA:
9.49
4koeB-5v9xA:
9.49
4koeD-5v9xA:
19.03
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE


(Streptomyces
peucetius)
no annotation 4 SER A 326
GLY A 146
ASP A 147
GLU A 113
42Y  A 118 ( 3.7A)
None
None
None
0.76A 4koeA-5wgcA:
undetectable
4koeB-5wgcA:
undetectable
4koeD-5wgcA:
undetectable
4koeA-5wgcA:
10.08
4koeB-5wgcA:
10.08
4koeD-5wgcA:
13.86
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)


(Bacillus cereus)
no annotation 5 ARG A 305
SER A 215
GLY A 309
GLY A 228
GLU A 231
None
None
None
None
MAL  A 501 (-3.6A)
1.21A 4koeA-6bvgA:
undetectable
4koeB-6bvgA:
undetectable
4koeD-6bvgA:
undetectable
4koeA-6bvgA:
8.88
4koeB-6bvgA:
8.88
4koeD-6bvgA:
18.42
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-4


(Rattus
norvegicus)
no annotation 4 SER 7 142
GLY 7  99
ASP 7 100
GLY 7 157
None
0.68A 4koeA-6epd7:
undetectable
4koeB-6epd7:
undetectable
4koeD-6epd7:
undetectable
4koeA-6epd7:
9.92
4koeB-6epd7:
9.92
4koeD-6epd7:
11.57
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)


(Homo sapiens)
no annotation 4 ARG A1232
SER A1234
GLY A1178
ASP A1206
None
0.91A 4koeA-6fn1A:
undetectable
4koeB-6fn1A:
undetectable
4koeD-6fn1A:
undetectable
4koeA-6fn1A:
10.55
4koeB-6fn1A:
10.55
4koeD-6fn1A:
16.24
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.
6gne -

(-)
no annotation 4 SER A 501
GLY A  42
ASP A  45
GLY A 415
None
ADP  A 601 ( 3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 ( 3.5A)
0.89A 4koeA-6gneA:
undetectable
4koeB-6gneA:
undetectable
4koeD-6gneA:
2.5
4koeA-6gneA:
undetectable
4koeB-6gneA:
undetectable
4koeD-6gneA:
undetectable