SIMILAR PATTERNS OF AMINO ACIDS FOR 4ACA_B_DXCB1473_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		5 ILE A  67
GLY A  69
PHE A  70
THR A 121
GLY A 118
 None
 1.26A 4acaB-1c3xA:
3.9
4acaC-1c3xA:
3.0		 4acaB-1c3xA:
19.29
4acaC-1c3xA:
19.29
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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		5 ASP A  32
ILE A  33
GLY A  34
PHE A  21
GLN A  82
 None
 1.26A 4acaB-1crzA:
undetectable
4acaC-1crzA:
undetectable		 4acaB-1crzA:
21.41
4acaC-1crzA:
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.
1fbl FIBROBLAST
(INTERSTITIAL)
COLLAGENASE (MMP-1)

(Sus scrofa) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 ASP A 194
ILE A 159
GLY A 193
GLY A 221
ARG A 214
 CA  A 995 (-3.3A)
None
CA  A 995 ( 4.9A)
None
HTA  A 900 ( 4.9A)
 1.27A 4acaB-1fblA:
undetectable
4acaC-1fblA:
undetectable		 4acaB-1fblA:
23.22
4acaC-1fblA:
23.22
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 533
GLY A 534
VAL A 564
THR A 568
GLY A 567
 None
 1.32A 4acaB-1jscA:
undetectable
4acaC-1jscA:
3.0		 4acaB-1jscA:
22.78
4acaC-1jscA:
22.78
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  91
GLY A  69
VAL A 122
THR A 118
GLY A 119
 None
 1.30A 4acaB-1lluA:
2.5
4acaC-1lluA:
3.1		 4acaB-1lluA:
21.79
4acaC-1lluA:
21.79
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASP A 153
VAL A  87
THR A 148
GLN A  61
GLY A  64
 None
 1.26A 4acaB-1mzjA:
undetectable
4acaC-1mzjA:
undetectable		 4acaB-1mzjA:
21.86
4acaC-1mzjA:
21.86
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.
1sef CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF05899
(Cupin_3)
PF07883
(Cupin_2) 		5 ASP A  82
ILE A  84
GLY A  81
THR A  86
GLN A  75
 None
 1.42A 4acaB-1sefA:
undetectable
4acaC-1sefA:
undetectable		 4acaB-1sefA:
17.96
4acaC-1sefA:
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.
1ssq SERINE
ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 ASP A  80
ILE A 150
GLY A 149
VAL A 192
GLY A 195
 None
 1.19A 4acaB-1ssqA:
undetectable
4acaC-1ssqA:
undetectable		 4acaB-1ssqA:
19.96
4acaC-1ssqA:
19.96
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 ILE A  78
GLY A  77
VAL A 231
THR A  92
GLY A 233
 None
 1.39A 4acaB-1thmA:
3.3
4acaC-1thmA:
3.3		 4acaB-1thmA:
19.79
4acaC-1thmA:
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 ILE A 145
GLY A 136
VAL A 131
THR A 133
GLY A  92
 None
None
None
None
SO4  A 319 (-3.6A)
 1.32A 4acaB-1vhnA:
2.6
4acaC-1vhnA:
2.2		 4acaB-1vhnA:
23.53
4acaC-1vhnA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yew PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylococcus
capsulatus) 		PF02461
(AMO) 		5 ILE B 129
GLY B 127
THR B  90
GLN B  76
GLY B  88
 None
 1.23A 4acaB-1yewB:
undetectable
4acaC-1yewB:
undetectable		 4acaB-1yewB:
19.18
4acaC-1yewB:
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.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		5 ASP A  94
ILE A  55
GLY A  63
GLN A  20
GLY A  26
 None
 1.38A 4acaB-2b1nA:
undetectable
4acaC-2b1nA:
undetectable		 4acaB-2b1nA:
18.05
4acaC-2b1nA:
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.
2exr CYTOKININ
DEHYDROGENASE 7

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ASP A  73
ILE A  74
GLY A  70
THR A 229
GLY A 138
 None
None
None
None
FAD  A 525 ( 4.4A)
 0.95A 4acaB-2exrA:
undetectable
4acaC-2exrA:
undetectable		 4acaB-2exrA:
22.51
4acaC-2exrA:
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE

(Aedes aegypti) 		PF00266
(Aminotran_5) 		5 ASP A 107
GLY A 106
VAL A 182
THR A 151
GLY A 153
 None
None
LLP  A 206 ( 4.1A)
LLP  A 206 ( 4.6A)
None
 1.41A 4acaB-2hufA:
2.7
4acaC-2hufA:
2.9		 4acaB-2hufA:
22.16
4acaC-2hufA:
22.16
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.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 ILE A2929
GLY A2912
PHE A3021
THR A2907
GLY A3023
 None
 1.37A 4acaB-2jd4A:
undetectable
4acaC-2jd4A:
undetectable		 4acaB-2jd4A:
22.22
4acaC-2jd4A:
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.
2ke7 ANKYRIN REPEAT AND
STERILE ALPHA MOTIF
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF00536
(SAM_1) 		5 ILE A 823
GLY A 824
VAL A 840
GLN A 818
GLY A 817
 None
 0.98A 4acaB-2ke7A:
undetectable
4acaC-2ke7A:
undetectable		 4acaB-2ke7A:
10.59
4acaC-2ke7A:
10.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2my7 CUGBP ELAV-LIKE
FAMILY MEMBER 2

(Homo sapiens) 		PF00076
(RRM_1) 		5 ASP A 420
ILE A 421
GLY A 417
GLY A 449
ARG A 482
 None
 1.32A 4acaB-2my7A:
undetectable
4acaC-2my7A:
undetectable		 4acaB-2my7A:
11.60
4acaC-2my7A:
11.60
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.
2p88 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bacillus cereus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 109
ILE A 110
GLY A  44
THR A  38
GLY A  41
 None
 1.16A 4acaB-2p88A:
3.1
4acaC-2p88A:
3.4		 4acaB-2p88A:
21.59
4acaC-2p88A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		5 ILE A 246
GLY A 249
VAL A 321
THR A 272
GLY A 271
 None
 1.41A 4acaB-2qs8A:
undetectable
4acaC-2qs8A:
2.2		 4acaB-2qs8A:
23.92
4acaC-2qs8A:
23.92
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.
2waw MOBA RELATE PROTEIN

(Mycobacterium
sp. DSM 3803) 		PF12804
(NTP_transf_3) 		5 ILE A 109
GLY A 108
VAL A  10
THR A  37
GLY A 104
 None
PGE  A1200 ( 3.7A)
None
None
None
 1.40A 4acaB-2wawA:
undetectable
4acaC-2wawA:
undetectable		 4acaB-2wawA:
19.00
4acaC-2wawA:
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.
2woz KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 10

(Rattus
norvegicus) 		PF01344
(Kelch_1) 		5 ILE A 499
GLY A 489
PHE A 488
VAL A 465
GLY A 453
 None
 1.19A 4acaB-2wozA:
undetectable
4acaC-2wozA:
undetectable		 4acaB-2wozA:
21.93
4acaC-2wozA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ASP A 589
ILE A 588
GLY A 590
PHE A 591
VAL A 415
 None
 1.32A 4acaB-3af5A:
2.7
4acaC-3af5A:
2.6		 4acaB-3af5A:
22.65
4acaC-3af5A:
22.65
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.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		5 ASP A  57
ILE A  30
THR A  16
GLY A  17
ARG A 121
 None
None
None
ZN  A 302 ( 4.7A)
None
 1.02A 4acaB-3chvA:
4.0
4acaC-3chvA:
4.0		 4acaB-3chvA:
18.57
4acaC-3chvA:
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.
3d3d LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ASP A  47
VAL A  53
THR A  62
GLN A  68
GLY A  63
 None
 1.41A 4acaB-3d3dA:
undetectable
4acaC-3d3dA:
undetectable		 4acaB-3d3dA:
16.35
4acaC-3d3dA:
16.35
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ASP X 283
ILE X 284
THR X 143
GLY X 121
ARG X 378
 None
None
None
C8E  X 455 (-3.5A)
C8E  X 455 (-3.7A)
 1.19A 4acaB-3dwoX:
undetectable
4acaC-3dwoX:
undetectable		 4acaB-3dwoX:
21.06
4acaC-3dwoX:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		5 ILE A 294
GLY A 293
VAL A 211
THR A 289
GLY A 213
 None
 1.28A 4acaB-3dzcA:
4.9
4acaC-3dzcA:
6.6		 4acaB-3dzcA:
23.18
4acaC-3dzcA:
23.18
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ASP A   7
ILE A  47
GLY A   9
THR A  77
GLY A 112
 None
 1.16A 4acaB-3ipwA:
2.5
4acaC-3ipwA:
2.1		 4acaB-3ipwA:
22.65
4acaC-3ipwA:
22.65
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.
3jtn ADAPTER PROTEIN MECA
2

(Bacillus
subtilis) 		PF05389
(MecA) 		5 ASP A  43
ILE A  25
GLY A  45
VAL A  55
GLY A  51
 None
 1.35A 4acaB-3jtnA:
undetectable
4acaC-3jtnA:
undetectable		 4acaB-3jtnA:
13.39
4acaC-3jtnA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		5 ILE A 368
GLY A 374
PHE A 217
GLY A 195
ARG A 255
 None
 1.33A 4acaB-3k2qA:
3.4
4acaC-3k2qA:
3.4		 4acaB-3k2qA:
21.53
4acaC-3k2qA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 412
ILE A 429
GLY A 430
VAL A 481
GLY A 479
 None
 1.42A 4acaB-3kf3A:
undetectable
4acaC-3kf3A:
undetectable		 4acaB-3kf3A:
23.99
4acaC-3kf3A:
23.99
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A  89
GLY A  67
VAL A 120
THR A 116
GLY A 117
 None
 1.35A 4acaB-3meqA:
2.6
4acaC-3meqA:
3.3		 4acaB-3meqA:
23.79
4acaC-3meqA:
23.79
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.
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF08005
(PHR) 		5 ILE A 424
GLY A 434
PHE A 453
VAL A 521
GLY A 405
 None
 1.41A 4acaB-3no8A:
undetectable
4acaC-3no8A:
undetectable		 4acaB-3no8A:
16.60
4acaC-3no8A:
16.60
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 269
GLY A 270
VAL A 165
THR A 277
GLY A 278
 STE  A 301 (-4.5A)
None
None
STE  A 301 ( 4.7A)
None
 1.31A 4acaB-3nyiA:
undetectable
4acaC-3nyiA:
undetectable		 4acaB-3nyiA:
21.06
4acaC-3nyiA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmm PUTATIVE CYTOPLASMIC
PROTEIN

(Klebsiella
pneumoniae) 		PF07470
(Glyco_hydro_88) 		5 ASP A  91
ILE A  90
THR A 115
GLN A  79
ARG A 376
 None
None
None
FMT  A 382 (-3.2A)
None
 1.41A 4acaB-3pmmA:
undetectable
4acaC-3pmmA:
undetectable		 4acaB-3pmmA:
21.40
4acaC-3pmmA:
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.
3r7p RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
FUSION PROTEIN

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 PHE A 207
THR A 181
GLN A 208
GLY A 185
ARG A 234
 None
 1.27A 4acaB-3r7pA:
undetectable
4acaC-3r7pA:
undetectable		 4acaB-3r7pA:
22.24
4acaC-3r7pA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ASP A 119
ILE A 122
GLY A  94
THR A 100
ARG A 197
 SO4  A 506 (-4.6A)
None
None
None
SO4  A 507 (-3.8A)
 1.42A 4acaB-3rmtA:
undetectable
4acaC-3rmtA:
undetectable		 4acaB-3rmtA:
24.40
4acaC-3rmtA:
24.40
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.
3s4u PHND, SUBUNIT OF
ALKYLPHOSPHONATE ABC
TRANSPORTER

(Escherichia
coli) 		PF12974
(Phosphonate-bd) 		5 ASP A  46
ILE A  50
GLY A  49
VAL A 208
ARG A 258
 None
 1.23A 4acaB-3s4uA:
undetectable
4acaC-3s4uA:
2.3		 4acaB-3s4uA:
22.74
4acaC-3s4uA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus) 		PF01380
(SIS) 		5 ILE A 161
GLY A 160
VAL A 139
THR A 163
GLY A 153
 None
 1.11A 4acaB-3shoA:
5.8
4acaC-3shoA:
5.7		 4acaB-3shoA:
17.08
4acaC-3shoA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sz4 EXONUCLEASE

(Laribacter
hongkongensis) 		PF09588
(YqaJ) 		5 ASP A 107
GLY A 106
VAL A  86
THR A  84
GLY A 103
 None
 1.26A 4acaB-3sz4A:
undetectable
4acaC-3sz4A:
undetectable		 4acaB-3sz4A:
19.25
4acaC-3sz4A:
19.25
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 103
ILE A 104
GLY A  36
THR A  30
GLY A  33
 None
 1.27A 4acaB-3t4wA:
undetectable
4acaC-3t4wA:
undetectable		 4acaB-3t4wA:
21.21
4acaC-3t4wA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1y MICROTUBULE-ASSOCIAT
ED PROTEIN 1A/1B,
LIGHT CHAIN 3

(Trypanosoma
brucei) 		PF02991
(Atg8) 		5 ASP A 111
ILE A 112
GLY A 110
VAL A 125
ARG A  85
 None
 1.37A 4acaB-3w1yA:
undetectable
4acaC-3w1yA:
undetectable		 4acaB-3w1yA:
13.28
4acaC-3w1yA:
13.28
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ASP A   7
ILE A   6
VAL A 412
THR A 431
GLN A 439
 None
 1.32A 4acaB-3w9hA:
undetectable
4acaC-3w9hA:
undetectable		 4acaB-3w9hA:
19.88
4acaC-3w9hA:
19.88
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.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ILE A  56
GLY A  55
THR A  60
GLN A 111
GLY A 112
 None
 1.05A 4acaB-3wdoA:
undetectable
4acaC-3wdoA:
undetectable		 4acaB-3wdoA:
24.15
4acaC-3wdoA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 ILE A 354
GLY A 353
THR A  33
GLN A  35
GLY A  34
 None
 1.15A 4acaB-3wquA:
undetectable
4acaC-3wquA:
undetectable		 4acaB-3wquA:
24.41
4acaC-3wquA:
24.41
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 ILE A 354
GLY A 353
THR A  33
GLN A  35
GLY A  34
 None
 1.26A 4acaB-3wt0A:
undetectable
4acaC-3wt0A:
undetectable		 4acaB-3wt0A:
25.00
4acaC-3wt0A:
25.00
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ASP A 500
ILE A 539
GLY A 540
PHE A 543
GLY A 415
 None
 1.30A 4acaB-4a01A:
undetectable
4acaC-4a01A:
undetectable		 4acaB-4a01A:
20.90
4acaC-4a01A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aca TRANSLATION
ELONGATION FACTOR
SELB

(Methanococcus
maripaludis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		6 GLY A  50
PHE A  51
VAL A 202
THR A 204
GLN A 233
GLY A 249
 None
 0.79A 4acaB-4acaA:
53.7
4acaC-4acaA:
51.8		 4acaB-4acaA:
100.00
4acaC-4acaA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amg SNOGD

(Streptomyces
nogalater) 		PF06722
(DUF1205) 		5 GLY A 109
VAL A 122
THR A 134
GLN A 128
GLY A 131
 None
 1.42A 4acaB-4amgA:
6.7
4acaC-4amgA:
2.5		 4acaB-4amgA:
22.66
4acaC-4amgA:
22.66
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.
4c0t LIKELY PROTEIN
KINASE

(Candida
albicans) 		PF00069
(Pkinase) 		5 ILE A 437
GLY A 435
PHE A 434
GLY A 345
ARG A 298
 None
 0.94A 4acaB-4c0tA:
undetectable
4acaC-4c0tA:
undetectable		 4acaB-4c0tA:
21.23
4acaC-4c0tA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		5 ASP A 104
ILE A 125
GLY A 105
PHE A 109
THR A 123
 None
 1.41A 4acaB-4ckkA:
undetectable
4acaC-4ckkA:
undetectable		 4acaB-4ckkA:
24.28
4acaC-4ckkA:
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.
4cn8 PROXIMAL THREAD
MATRIX PROTEIN 1

(Mytilus
galloprovincialis) 		PF00092
(VWA) 		5 ASP A 130
GLY A 127
PHE A 113
VAL A  57
GLY A 101
 None
 1.37A 4acaB-4cn8A:
5.3
4acaC-4cn8A:
5.6		 4acaB-4cn8A:
23.33
4acaC-4cn8A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cn8 PROXIMAL THREAD
MATRIX PROTEIN 1

(Mytilus
galloprovincialis) 		PF00092
(VWA) 		5 ILE A 128
GLY A 127
PHE A 113
VAL A  57
GLY A 101
 None
 1.32A 4acaB-4cn8A:
5.3
4acaC-4cn8A:
5.6		 4acaB-4cn8A:
23.33
4acaC-4cn8A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		5 ILE A 127
GLY A 125
PHE A 124
THR A 390
GLY A 389
 None
 0.91A 4acaB-4czbA:
undetectable
4acaC-4czbA:
undetectable		 4acaB-4czbA:
25.05
4acaC-4czbA:
25.05
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 103
ILE A 104
GLY A  36
THR A  30
GLY A  33
 None
 1.22A 4acaB-4e4uA:
2.2
4acaC-4e4uA:
undetectable		 4acaB-4e4uA:
22.24
4acaC-4e4uA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 ASP B  50
ILE B  49
GLY B  45
VAL B 145
GLY B  75
 None
None
ATP  B 301 (-3.5A)
None
None
 1.39A 4acaB-4f6tB:
2.4
4acaC-4f6tB:
2.7		 4acaB-4f6tB:
19.91
4acaC-4f6tB:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 ASP A 291
ILE A 290
GLY A 289
GLY A  32
ARG A 410
 None
 1.22A 4acaB-4fqdA:
undetectable
4acaC-4fqdA:
undetectable		 4acaB-4fqdA:
21.01
4acaC-4fqdA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ftd UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		PF15416
(DUF4623) 		5 ASP A 286
GLY A 285
PHE A 292
VAL A 339
THR A 321
 None
 1.28A 4acaB-4ftdA:
undetectable
4acaC-4ftdA:
undetectable		 4acaB-4ftdA:
24.05
4acaC-4ftdA:
24.05
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.
4g6v ADHESIN/HEMOLYSIN

(Burkholderia
pseudomallei) 		no annotation 5 ASP A 284
ILE A 283
GLY A 287
THR A 193
GLN A 189
 None
 1.22A 4acaB-4g6vA:
undetectable
4acaC-4g6vA:
undetectable		 4acaB-4g6vA:
19.02
4acaC-4g6vA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gak ACYL-ACP
THIOESTERASE

(Spirosoma
linguale) 		PF01643
(Acyl-ACP_TE) 		5 ASP A  48
ILE A  44
GLY A  43
VAL A  84
GLN A 129
 None
 0.89A 4acaB-4gakA:
undetectable
4acaC-4gakA:
undetectable		 4acaB-4gakA:
19.21
4acaC-4gakA:
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.
4i0p HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DO BETA
CHAIN

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		5 ASP D 126
GLY D 125
PHE D 122
VAL D 159
THR D 157
 None
 1.39A 4acaB-4i0pD:
undetectable
4acaC-4i0pD:
undetectable		 4acaB-4i0pD:
17.44
4acaC-4i0pD:
17.44
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.
4iqz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Escherichia
coli) 		no annotation 5 ASP A  96
ILE A  47
GLY A  97
VAL A  41
GLY A  45
 None
None
None
None
IOD  A 302 ( 4.0A)
 1.28A 4acaB-4iqzA:
undetectable
4acaC-4iqzA:
undetectable		 4acaB-4iqzA:
23.16
4acaC-4iqzA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 104
ILE A 105
GLY A  37
THR A  31
GLY A  34
 None
 1.25A 4acaB-4j3zA:
undetectable
4acaC-4j3zA:
2.4		 4acaB-4j3zA:
18.25
4acaC-4j3zA:
18.25
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Legionella
drancourtii;
Homo sapiens) 		no annotation
PF00071
(Ras) 		5 ILE B  76
GLY B  45
PHE B  73
THR A 475
ARG A 460
 None
 1.32A 4acaB-4jvsB:
15.9
4acaC-4jvsB:
15.4		 4acaB-4jvsB:
18.50
4acaC-4jvsB:
18.50
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 ASP A 373
ILE A 374
GLY A 375
VAL A 342
ARG A 156
 None
 1.17A 4acaB-4kv7A:
6.0
4acaC-4kv7A:
6.0		 4acaB-4kv7A:
20.72
4acaC-4kv7A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  97
ILE A  98
GLY A  32
THR A  26
GLY A  29
 None
 1.25A 4acaB-4kwsA:
undetectable
4acaC-4kwsA:
undetectable		 4acaB-4kwsA:
22.49
4acaC-4kwsA:
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.
4m4w PRIMOSOMAL PROTEIN
DNAI

(Bacillus
subtilis) 		PF01695
(IstB_IS21)
PF07319
(DnaI_N) 		5 ILE J 231
GLY J 232
PHE J 274
VAL J 248
GLY J 246
 None
 1.40A 4acaB-4m4wJ:
undetectable
4acaC-4m4wJ:
undetectable		 4acaB-4m4wJ:
21.34
4acaC-4m4wJ:
21.34
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.
4nle ADENYLOSUCCINATE
LYASE

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 249
PHE A 248
VAL A 129
GLY A 125
ARG A 461
 None
 1.17A 4acaB-4nleA:
undetectable
4acaC-4nleA:
undetectable		 4acaB-4nleA:
23.20
4acaC-4nleA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 ILE A 144
GLY A 143
THR A 151
GLY A 117
ARG A 282
 None
None
None
BCN  A 401 (-3.2A)
BCN  A 401 ( 4.8A)
 1.21A 4acaB-4oqqA:
undetectable
4acaC-4oqqA:
undetectable		 4acaB-4oqqA:
21.34
4acaC-4oqqA:
21.34
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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 ILE A 144
GLY A 143
VAL A 149
THR A 151
ARG A 213
 None
None
None
None
BCN  A 401 ( 4.8A)
 1.23A 4acaB-4oqqA:
undetectable
4acaC-4oqqA:
undetectable		 4acaB-4oqqA:
21.34
4acaC-4oqqA:
21.34
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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 ILE A 144
GLY A 143
VAL A 149
THR A 151
ARG A 282
 None
None
None
None
BCN  A 401 ( 4.8A)
 1.06A 4acaB-4oqqA:
undetectable
4acaC-4oqqA:
undetectable		 4acaB-4oqqA:
21.34
4acaC-4oqqA:
21.34
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 ILE A 242
GLY A 240
THR A 318
GLY A 316
ARG A 459
 None
FAD  A 902 (-4.0A)
None
FAD  A 902 (-3.6A)
None
 1.07A 4acaB-4qi7A:
undetectable
4acaC-4qi7A:
undetectable		 4acaB-4qi7A:
21.29
4acaC-4qi7A:
21.29
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 ILE A 242
GLY A 241
THR A 318
GLY A 316
ARG A 459
 None
None
None
FAD  A 902 (-3.6A)
None
 1.27A 4acaB-4qi7A:
undetectable
4acaC-4qi7A:
undetectable		 4acaB-4qi7A:
21.29
4acaC-4qi7A:
21.29
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.
4r94 NON-STRUCTURAL
PROTEIN NS1

(Rodent
protoparvovirus
1) 		PF12433
(PV_NSP1) 		5 ILE A 132
GLY A 133
PHE A 137
VAL A 101
GLN A 141
 None
 1.40A 4acaB-4r94A:
undetectable
4acaC-4r94A:
undetectable		 4acaB-4r94A:
18.80
4acaC-4r94A:
18.80
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.
4rt6 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 ILE A 601
GLY A 631
VAL A 594
GLY A 628
ARG A 531
 None
 1.31A 4acaB-4rt6A:
undetectable
4acaC-4rt6A:
undetectable		 4acaB-4rt6A:
21.09
4acaC-4rt6A:
21.09
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 ASP A  96
ILE A 100
GLY A  99
VAL A 114
GLY A 123
 None
 1.14A 4acaB-4rweA:
4.6
4acaC-4rweA:
4.1		 4acaB-4rweA:
22.40
4acaC-4rweA:
22.40
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.
4wji PUTATIVE
CYCLOHEXADIENYL
DEHYDROGENASE AND
ADH PREPHENATE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02153
(PDH) 		5 ILE A 106
GLY A 103
VAL A 120
THR A 149
GLY A 122
 None
 1.33A 4acaB-4wjiA:
3.8
4acaC-4wjiA:
4.0		 4acaB-4wjiA:
22.09
4acaC-4wjiA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhy FLAVIN REDUCTASE
DOMAIN PROTEIN,
FMN-BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01613
(Flavin_Reduct) 		5 ILE A 126
PHE A 111
THR A  43
GLN A 110
GLY A  52
 None
 0.96A 4acaB-4xhyA:
2.8
4acaC-4xhyA:
2.8		 4acaB-4xhyA:
17.61
4acaC-4xhyA:
17.61
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.
4xhy FLAVIN REDUCTASE
DOMAIN PROTEIN,
FMN-BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01613
(Flavin_Reduct) 		5 PHE A 111
VAL A  41
THR A  43
GLN A 110
GLY A  52
 None
 1.16A 4acaB-4xhyA:
2.8
4acaC-4xhyA:
2.8		 4acaB-4xhyA:
17.61
4acaC-4xhyA:
17.61
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 ILE A 140
GLY A 145
VAL A  73
THR A 149
ARG A  66
 None
 1.38A 4acaB-4yfmA:
undetectable
4acaC-4yfmA:
undetectable		 4acaB-4yfmA:
21.14
4acaC-4yfmA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ASP A 364
ILE A 367
GLY A 363
VAL A 205
GLY A 326
 SO4  A 506 (-4.8A)
None
SO4  A 506 (-3.5A)
None
None
 1.40A 4acaB-4yrpA:
undetectable
4acaC-4yrpA:
undetectable		 4acaB-4yrpA:
23.97
4acaC-4yrpA:
23.97
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.
4zgc KELCH PROTEIN

(Plasmodium
falciparum) 		PF01344
(Kelch_1)
PF02214
(BTB_2)
PF13418
(Kelch_4) 		5 ILE A 684
GLY A 674
PHE A 673
VAL A 650
GLY A 638
 None
 1.33A 4acaB-4zgcA:
undetectable
4acaC-4zgcA:
undetectable		 4acaB-4zgcA:
20.40
4acaC-4zgcA:
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 393
GLY A 423
PHE A  53
THR A  83
GLY A  84
 None
 1.06A 4acaB-5ahkA:
2.1
4acaC-5ahkA:
3.2		 4acaB-5ahkA:
25.41
4acaC-5ahkA:
25.41
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		5 ILE A 262
GLY A 260
VAL A 224
THR A 265
GLY A 267
 None
 1.36A 4acaB-5dh2A:
4.9
4acaC-5dh2A:
4.7		 4acaB-5dh2A:
21.06
4acaC-5dh2A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ifz RIBOSE 5-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF02502
(LacAB_rpiB) 		5 ILE A  82
GLY A  83
VAL A 123
THR A  80
GLY A 120
 None
 1.34A 4acaB-5ifzA:
3.5
4acaC-5ifzA:
4.3		 4acaB-5ifzA:
17.46
4acaC-5ifzA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ILE A 131
GLY A 190
PHE A 189
THR A 115
GLY A 112
 FMN  A 301 (-3.7A)
None
FMN  A 301 ( 4.8A)
None
None
 0.94A 4acaB-5j62A:
undetectable
4acaC-5j62A:
undetectable		 4acaB-5j62A:
19.71
4acaC-5j62A:
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ILE A 191
GLY A 190
PHE A 189
THR A 115
ARG A 204
 None
None
FMN  A 301 ( 4.8A)
None
FMN  A 301 (-3.8A)
 1.38A 4acaB-5j62A:
undetectable
4acaC-5j62A:
undetectable		 4acaB-5j62A:
19.71
4acaC-5j62A:
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ILE A 191
GLY A 190
PHE A 189
THR A 115
GLY A 112
 None
None
FMN  A 301 ( 4.8A)
None
None
 1.32A 4acaB-5j62A:
undetectable
4acaC-5j62A:
undetectable		 4acaB-5j62A:
19.71
4acaC-5j62A:
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.
5jos CYCLOHEXADIENYL
DEHYDRATASE

(synthetic
construct) 		PF00497
(SBP_bac_3) 		5 ASP A  51
ILE A  50
THR A  29
GLY A  28
ARG A  22
 None
 1.15A 4acaB-5josA:
undetectable
4acaC-5josA:
undetectable		 4acaB-5josA:
18.54
4acaC-5josA:
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		5 ILE A  17
GLY A  19
VAL A 433
THR A 431
GLN A 727
 None
 1.34A 4acaB-5jwzA:
undetectable
4acaC-5jwzA:
undetectable		 4acaB-5jwzA:
21.95
4acaC-5jwzA:
21.95
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.
5kzs PUTATIVE CELL
SURFACE PROTEIN,
SIMILAR TO
INTERNALIN PROTEINS

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 ASP A  47
ILE A  85
GLY A  49
VAL A 106
GLY A  79
 None
 1.32A 4acaB-5kzsA:
undetectable
4acaC-5kzsA:
undetectable		 4acaB-5kzsA:
22.32
4acaC-5kzsA:
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.
5ldd MON1
RAB SMALL MONOMERIC
GTPASE-LIKE PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF03164
(Mon1)
PF00071
(Ras) 		5 ILE C  41
GLY C  42
VAL A 252
THR A 254
GLY A 250
 None
 1.18A 4acaB-5lddC:
13.8
4acaC-5lddC:
13.2		 4acaB-5lddC:
21.86
4acaC-5lddC:
21.86
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLY B 808
PHE B 588
THR B 514
GLY B 586
ARG B 424
 None
 1.34A 4acaB-5nd1B:
undetectable
4acaC-5nd1B:
undetectable		 4acaB-5nd1B:
undetectable
4acaC-5nd1B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ILE A 381
THR A 170
GLN A  32
GLY A 173
ARG A  44
 None
 1.40A 4acaB-5nvaA:
undetectable
4acaC-5nvaA:
undetectable		 4acaB-5nvaA:
undetectable
4acaC-5nvaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ASP E 123
ILE E 124
GLY E 116
VAL E 231
GLY E  45
 None
 1.37A 4acaB-5sgaE:
3.1
4acaC-5sgaE:
3.2		 4acaB-5sgaE:
18.31
4acaC-5sgaE:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wk1 CAPSID STABILIZING
PROTEIN

(Pseudoalteromonas
phage TW1) 		no annotation 5 ILE X   8
GLY X  31
THR X  70
GLN X  62
GLY X  69
 None
 1.31A 4acaB-5wk1X:
undetectable
4acaC-5wk1X:
undetectable		 4acaB-5wk1X:
undetectable
4acaC-5wk1X:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6)
PF00374
(NiFeSe_Hases) 		5 ILE D  82
GLY D  81
VAL D  31
GLY D  33
ARG C  49
 None
 1.26A 4acaB-5xfaD:
undetectable
4acaC-5xfaD:
undetectable		 4acaB-5xfaD:
22.88
4acaC-5xfaD:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 5 ILE A 255
GLY A 257
GLN A 162
GLY A 163
ARG A 172
 WCA  A 801 (-3.7A)
None
None
None
None
 1.41A 4acaB-6co0A:
undetectable
4acaC-6co0A:
undetectable		 4acaB-6co0A:
undetectable
4acaC-6co0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 5 ASP B 198
PHE B 200
VAL B 152
THR B 119
GLY B 115
 None
 1.34A 4acaB-6crjB:
undetectable
4acaC-6crjB:
3.3		 4acaB-6crjB:
undetectable
4acaC-6crjB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxh PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 5 ILE B 129
GLY B 127
THR B  90
GLN B  76
GLY B  88
 None
 1.28A 4acaB-6cxhB:
undetectable
4acaC-6cxhB:
undetectable		 4acaB-6cxhB:
undetectable
4acaC-6cxhB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
9rub RIBULOSE-1,5-BISPHOS
PHATE CARBOXYLASE

(Rhodospirillum
rubrum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 394
PHE A 397
THR A 163
GLY A 162
ARG A 152
 None
 1.35A 4acaB-9rubA:
undetectable
4acaC-9rubA:
2.1		 4acaB-9rubA:
22.18
4acaC-9rubA:
22.18