SIMILAR PATTERNS OF AMINO ACIDS FOR 2HDN_F_TACF3888

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.
1dot DUCK OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		4 SER A 114
SER A 159
VAL A 161
LEU A 331
 None
 0.91A 2hdnE-1dotA:
0.0
2hdnF-1dotA:
undetectable
2hdnH-1dotA:
undetectable		 2hdnE-1dotA:
5.06
2hdnF-1dotA:
19.74
2hdnH-1dotA:
19.74
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		4 SER A 187
ASP A 405
VAL A  43
LEU A 597
 CA  A2000 ( 4.7A)
CA  A2000 (-3.6A)
None
None
 0.96A 2hdnE-1fbwA:
0.0
2hdnF-1fbwA:
undetectable
2hdnH-1fbwA:
undetectable		 2hdnE-1fbwA:
4.95
2hdnF-1fbwA:
20.13
2hdnH-1fbwA:
20.13
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		4 SER A 116
SER A 156
VAL A 158
LEU A 330
 None
 1.02A 2hdnE-1h76A:
0.0
2hdnF-1h76A:
undetectable
2hdnH-1h76A:
undetectable		 2hdnE-1h76A:
5.63
2hdnF-1h76A:
19.15
2hdnH-1h76A:
19.15
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.
1i8k EPIDERMAL GROWTH
FACTOR RECEPTOR
ANTIBODY MR1SCFV
HEAVY CHAIN
EPIDERMAL GROWTH
FACTOR RECEPTOR
ANTIBODY MR1SCFV
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 SER B 350
SER B 335
VAL B 337
LEU A   4
 None
 1.05A 2hdnE-1i8kB:
undetectable
2hdnF-1i8kB:
undetectable
2hdnH-1i8kB:
undetectable		 2hdnE-1i8kB:
15.32
2hdnF-1i8kB:
15.52
2hdnH-1i8kB:
15.52
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.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		4 SER A 117
SER A 157
VAL A 159
LEU A 326
 None
 0.93A 2hdnE-1jnfA:
undetectable
2hdnF-1jnfA:
undetectable
2hdnH-1jnfA:
undetectable		 2hdnE-1jnfA:
4.55
2hdnF-1jnfA:
19.36
2hdnH-1jnfA:
19.36
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 SER A 172
ASP A 174
SER A 149
LEU A  13
 None
 0.99A 2hdnE-1m66A:
0.0
2hdnF-1m66A:
undetectable
2hdnH-1m66A:
2.4		 2hdnE-1m66A:
10.09
2hdnF-1m66A:
20.57
2hdnH-1m66A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		4 SER A 114
SER A 156
VAL A 158
LEU A 331
 None
 1.04A 2hdnE-1n76A:
0.0
2hdnF-1n76A:
undetectable
2hdnH-1n76A:
undetectable		 2hdnE-1n76A:
5.60
2hdnF-1n76A:
19.19
2hdnH-1n76A:
19.19
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.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		4 ASP A 251
SER A 386
VAL A 384
LEU A 373
 None
 1.05A 2hdnE-1obhA:
0.4
2hdnF-1obhA:
2.1
2hdnH-1obhA:
undetectable		 2hdnE-1obhA:
9.09
2hdnF-1obhA:
17.73
2hdnH-1obhA:
17.73
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.
1pp0 VOLVATOXIN A2

(Volvariella
volvacea) 		PF01338
(Bac_thur_toxin) 		4 SER A 139
ASP A  11
SER A 152
VAL A 154
 None
 0.53A 2hdnE-1pp0A:
undetectable
2hdnF-1pp0A:
undetectable
2hdnH-1pp0A:
undetectable		 2hdnE-1pp0A:
13.16
2hdnF-1pp0A:
19.40
2hdnH-1pp0A:
19.40
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 THR 1  42
SER 3 116
ASP 3  50
SER 3 164
VAL 3 166
 None
 1.14A 2hdnE-1r1a1:
undetectable
2hdnF-1r1a1:
undetectable
2hdnH-1r1a1:
undetectable		 2hdnE-1r1a1:
8.64
2hdnF-1r1a1:
21.14
2hdnH-1r1a1:
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 470
SER A 483
VAL A 485
LEU A 380
 None
 0.96A 2hdnE-1rrhA:
undetectable
2hdnF-1rrhA:
undetectable
2hdnH-1rrhA:
undetectable		 2hdnE-1rrhA:
3.83
2hdnF-1rrhA:
17.46
2hdnH-1rrhA:
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 THR A 420
ASP A 417
VAL A 374
LEU A 483
 None
 1.04A 2hdnE-1vcnA:
undetectable
2hdnF-1vcnA:
3.1
2hdnH-1vcnA:
3.6		 2hdnE-1vcnA:
6.20
2hdnF-1vcnA:
22.22
2hdnH-1vcnA:
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.
1x42 HYPOTHETICAL PROTEIN
PH0459

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		4 THR A 195
ASP A 213
VAL A 216
LEU A 112
 None
 1.02A 2hdnE-1x42A:
undetectable
2hdnF-1x42A:
undetectable
2hdnH-1x42A:
undetectable		 2hdnE-1x42A:
11.17
2hdnF-1x42A:
21.39
2hdnH-1x42A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 100
SER A  44
VAL A  42
LEU A 121
 None
 1.05A 2hdnE-2b7nA:
undetectable
2hdnF-2b7nA:
2.6
2hdnH-2b7nA:
3.0		 2hdnE-2b7nA:
13.37
2hdnF-2b7nA:
21.84
2hdnH-2b7nA:
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		4 SER A  59
PRO A  61
SER A  57
LEU A 275
 None
 1.00A 2hdnE-2bkwA:
undetectable
2hdnF-2bkwA:
undetectable
2hdnH-2bkwA:
2.6		 2hdnE-2bkwA:
7.59
2hdnF-2bkwA:
22.11
2hdnH-2bkwA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2grm PRGX

(Enterococcus
faecalis) 		PF01381
(HTH_3) 		4 THR A 247
ASP A 248
SER A 253
LEU A 198
 None
 1.05A 2hdnE-2grmA:
undetectable
2hdnF-2grmA:
undetectable
2hdnH-2grmA:
undetectable		 2hdnE-2grmA:
12.02
2hdnF-2grmA:
19.61
2hdnH-2grmA:
19.61
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 THR A  66
SER A  52
SER A  51
LEU A  38
 None
 0.97A 2hdnE-2inrA:
undetectable
2hdnF-2inrA:
undetectable
2hdnH-2inrA:
undetectable		 2hdnE-2inrA:
7.81
2hdnF-2inrA:
20.62
2hdnH-2inrA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 SER A 477
SER A 490
VAL A 492
LEU A 386
 None
 1.06A 2hdnE-2iukA:
undetectable
2hdnF-2iukA:
undetectable
2hdnH-2iukA:
undetectable		 2hdnE-2iukA:
3.64
2hdnF-2iukA:
16.88
2hdnH-2iukA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o16 ACETOIN UTILIZATION
PROTEIN ACUB,
PUTATIVE

(Vibrio cholerae) 		PF00571
(CBS) 		4 THR A  28
SER A 143
ASP A 144
LEU A  46
 None
PO4  A   1 (-2.8A)
None
None
 1.01A 2hdnE-2o16A:
undetectable
2hdnF-2o16A:
undetectable
2hdnH-2o16A:
undetectable		 2hdnE-2o16A:
14.93
2hdnF-2o16A:
19.40
2hdnH-2o16A:
19.40
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 SER A 183
SER A 167
VAL A 165
LEU A 237
 None
 0.95A 2hdnE-2oaaA:
undetectable
2hdnF-2oaaA:
undetectable
2hdnH-2oaaA:
undetectable		 2hdnE-2oaaA:
11.00
2hdnF-2oaaA:
21.57
2hdnH-2oaaA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2olw RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE E

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		4 SER A  82
ASP A  81
VAL A 111
LEU A 131
 None
None
None
ACY  A1004 (-3.8A)
 1.03A 2hdnE-2olwA:
undetectable
2hdnF-2olwA:
undetectable
2hdnH-2olwA:
undetectable		 2hdnE-2olwA:
11.83
2hdnF-2olwA:
21.11
2hdnH-2olwA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrc TRIPHENYLMETHANE
REDUCTASE

(Citrobacter sp.
MY-5) 		PF05368
(NmrA) 		4 THR A 163
SER A 155
VAL A 221
LEU A 277
 None
 0.98A 2hdnE-2vrcA:
undetectable
2hdnF-2vrcA:
6.5
2hdnH-2vrcA:
6.5		 2hdnE-2vrcA:
9.96
2hdnF-2vrcA:
22.73
2hdnH-2vrcA:
22.73
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 THR A  43
SER A 531
SER A 495
VAL A 497
 None
 0.74A 2hdnE-2wyoA:
undetectable
2hdnF-2wyoA:
undetectable
2hdnH-2wyoA:
undetectable		 2hdnE-2wyoA:
4.86
2hdnF-2wyoA:
19.82
2hdnH-2wyoA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 THR A 189
ASP A 157
VAL A 148
LEU A 127
 None
 1.03A 2hdnE-2wyxA:
undetectable
2hdnF-2wyxA:
undetectable
2hdnH-2wyxA:
undetectable		 2hdnE-2wyxA:
11.30
2hdnF-2wyxA:
20.65
2hdnH-2wyxA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 SER A 195
ASP A 209
VAL A 192
LEU A 586
 None
 0.97A 2hdnE-2xr1A:
undetectable
2hdnF-2xr1A:
undetectable
2hdnH-2xr1A:
undetectable		 2hdnE-2xr1A:
6.81
2hdnF-2xr1A:
20.68
2hdnH-2xr1A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 SER A 194
ASP A 208
VAL A 191
LEU A 585
 None
 0.92A 2hdnE-2ycbA:
undetectable
2hdnF-2ycbA:
undetectable
2hdnH-2ycbA:
undetectable		 2hdnE-2ycbA:
6.49
2hdnF-2ycbA:
19.88
2hdnH-2ycbA:
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.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 SER A 386
SER A 348
VAL A 350
LEU A 214
 None
 0.79A 2hdnE-3ab4A:
undetectable
2hdnF-3ab4A:
2.3
2hdnH-3ab4A:
undetectable		 2hdnE-3ab4A:
6.87
2hdnF-3ab4A:
22.99
2hdnH-3ab4A:
22.99
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 THR A  57
ASP A  62
VAL A 153
LEU A 107
 None
 1.03A 2hdnE-3aexA:
undetectable
2hdnF-3aexA:
2.9
2hdnH-3aexA:
2.5		 2hdnE-3aexA:
7.06
2hdnF-3aexA:
22.22
2hdnH-3aexA:
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 SER A 203
ASP A 217
VAL A 200
LEU A 600
 None
 0.97A 2hdnE-3af5A:
undetectable
2hdnF-3af5A:
2.2
2hdnH-3af5A:
undetectable		 2hdnE-3af5A:
4.77
2hdnF-3af5A:
18.50
2hdnH-3af5A:
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.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv)
no annotation 		4 THR C 225
SER C  48
SER C  49
LEU A 201
 None
 0.93A 2hdnE-3cjiC:
undetectable
2hdnF-3cjiC:
undetectable
2hdnH-3cjiC:
undetectable		 2hdnE-3cjiC:
9.26
2hdnF-3cjiC:
19.44
2hdnH-3cjiC:
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 THR C  53
SER C  18
SER C  21
LEU C 209
 None
 1.00A 2hdnE-3degC:
undetectable
2hdnF-3degC:
9.1
2hdnH-3degC:
9.1		 2hdnE-3degC:
4.64
2hdnF-3degC:
23.60
2hdnH-3degC:
23.60
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 SER A 313
ASP A 278
SER A 256
VAL A 254
 None
 0.87A 2hdnE-3dqqA:
undetectable
2hdnF-3dqqA:
2.0
2hdnH-3dqqA:
2.1		 2hdnE-3dqqA:
8.62
2hdnF-3dqqA:
21.92
2hdnH-3dqqA:
21.92
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.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		4 THR A 202
PRO A 205
SER A 173
LEU A 160
 None
 0.89A 2hdnE-3e7fA:
undetectable
2hdnF-3e7fA:
undetectable
2hdnH-3e7fA:
undetectable		 2hdnE-3e7fA:
10.37
2hdnF-3e7fA:
24.23
2hdnH-3e7fA:
24.23
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 THR A 230
SER A 159
ASP A 207
LEU A  38
 None
 0.95A 2hdnE-3fdgA:
undetectable
2hdnF-3fdgA:
2.6
2hdnH-3fdgA:
2.6		 2hdnE-3fdgA:
6.90
2hdnF-3fdgA:
21.18
2hdnH-3fdgA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 SER A 144
ASP A 124
SER A 168
LEU A 258
 None
 0.90A 2hdnE-3g0oA:
undetectable
2hdnF-3g0oA:
2.7
2hdnH-3g0oA:
undetectable		 2hdnE-3g0oA:
12.69
2hdnF-3g0oA:
21.93
2hdnH-3g0oA:
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 SER A  15
ASP A  29
VAL A  12
LEU A 386
 None
 1.03A 2hdnE-3ie1A:
undetectable
2hdnF-3ie1A:
undetectable
2hdnH-3ie1A:
undetectable		 2hdnE-3ie1A:
6.55
2hdnF-3ie1A:
22.89
2hdnH-3ie1A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
mutans) 		PF01791
(DeoC) 		4 SER A  65
ASP A  16
SER A  66
LEU A   3
 None
 1.01A 2hdnE-3iv3A:
undetectable
2hdnF-3iv3A:
2.2
2hdnH-3iv3A:
2.4		 2hdnE-3iv3A:
9.88
2hdnF-3iv3A:
24.68
2hdnH-3iv3A:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 SER A 134
ASP A 129
SER A 150
VAL A 148
 None
 1.03A 2hdnE-3kd8A:
undetectable
2hdnF-3kd8A:
undetectable
2hdnH-3kd8A:
undetectable		 2hdnE-3kd8A:
6.17
2hdnF-3kd8A:
23.09
2hdnH-3kd8A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lb9 ENDO-1,4-BETA-XYLANA
SE

(Bacillus
circulans) 		PF00457
(Glyco_hydro_11) 		4 ASP A 148
SER A 165
VAL A 163
LEU A  39
 None
 1.06A 2hdnE-3lb9A:
undetectable
2hdnF-3lb9A:
undetectable
2hdnH-3lb9A:
undetectable		 2hdnE-3lb9A:
13.14
2hdnF-3lb9A:
17.46
2hdnH-3lb9A:
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		4 THR A 124
ASP A 126
SER A 182
LEU A  87
 None
 1.05A 2hdnE-3ld8A:
undetectable
2hdnF-3ld8A:
undetectable
2hdnH-3ld8A:
undetectable		 2hdnE-3ld8A:
8.94
2hdnF-3ld8A:
22.41
2hdnH-3ld8A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		4 SER A 117
SER A 152
VAL A 154
LEU A 326
 None
 0.71A 2hdnE-3mc2A:
undetectable
2hdnF-3mc2A:
undetectable
2hdnH-3mc2A:
undetectable		 2hdnE-3mc2A:
4.75
2hdnF-3mc2A:
20.87
2hdnH-3mc2A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C 219
ASP C 218
PRO C 143
SER C  72
 None
 0.95A 2hdnE-3mg0C:
undetectable
2hdnF-3mg0C:
undetectable
2hdnH-3mg0C:
undetectable		 2hdnE-3mg0C:
10.81
2hdnF-3mg0C:
20.00
2hdnH-3mg0C:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER C 219
ASP C 218
SER C  72
VAL C  74
 None
 0.78A 2hdnE-3mg0C:
undetectable
2hdnF-3mg0C:
undetectable
2hdnH-3mg0C:
undetectable		 2hdnE-3mg0C:
10.81
2hdnF-3mg0C:
20.00
2hdnH-3mg0C:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 ASP A 129
SER A 244
VAL A 246
LEU A 100
 None
 1.05A 2hdnE-3ppoA:
undetectable
2hdnF-3ppoA:
undetectable
2hdnH-3ppoA:
undetectable		 2hdnE-3ppoA:
11.76
2hdnF-3ppoA:
22.19
2hdnH-3ppoA:
22.19
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 THR A 663
PRO A 746
VAL A 735
LEU A 324
 None
 1.04A 2hdnE-3qdeA:
undetectable
2hdnF-3qdeA:
undetectable
2hdnH-3qdeA:
undetectable		 2hdnE-3qdeA:
4.57
2hdnF-3qdeA:
17.14
2hdnH-3qdeA:
17.14
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		4 SER A 299
SER A 300
VAL A 124
LEU A 271
 None
 1.03A 2hdnE-3qkiA:
undetectable
2hdnF-3qkiA:
undetectable
2hdnH-3qkiA:
3.2		 2hdnE-3qkiA:
4.58
2hdnF-3qkiA:
18.77
2hdnH-3qkiA:
18.77
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		4 THR A 168
SER A 149
SER A 148
LEU A 201
 None
FV1  A4001 (-2.6A)
FV1  A4001 (-2.6A)
ADP  A1260 (-4.1A)
 1.04A 2hdnE-3qvfA:
undetectable
2hdnF-3qvfA:
2.4
2hdnH-3qvfA:
undetectable		 2hdnE-3qvfA:
12.24
2hdnF-3qvfA:
21.49
2hdnH-3qvfA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4i CITRATE LYASE

(Paraburkholderia
xenovorans) 		PF03328
(HpcH_HpaI) 		4 THR A 114
SER A 172
SER A 221
VAL A 219
 None
 0.75A 2hdnE-3r4iA:
undetectable
2hdnF-3r4iA:
3.3
2hdnH-3r4iA:
3.2		 2hdnE-3r4iA:
8.08
2hdnF-3r4iA:
23.24
2hdnH-3r4iA:
23.24
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 THR A 699
SER A 615
SER A 667
VAL A 665
 None
 1.05A 2hdnE-3syjA:
undetectable
2hdnF-3syjA:
undetectable
2hdnH-3syjA:
undetectable		 2hdnE-3syjA:
3.57
2hdnF-3syjA:
15.04
2hdnH-3syjA:
15.04
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.
3tha TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Campylobacter
jejuni) 		PF00290
(Trp_syntA) 		4 THR A  84
ASP A  35
SER A  37
LEU A  19
 None
 1.00A 2hdnE-3thaA:
undetectable
2hdnF-3thaA:
undetectable
2hdnH-3thaA:
3.1		 2hdnE-3thaA:
13.67
2hdnF-3thaA:
23.63
2hdnH-3thaA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 THR A 189
ASP A 157
VAL A 148
LEU A 127
 None
 1.02A 2hdnE-3znyA:
undetectable
2hdnF-3znyA:
undetectable
2hdnH-3znyA:
undetectable		 2hdnE-3znyA:
10.92
2hdnF-3znyA:
20.80
2hdnH-3znyA:
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.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		4 THR A  33
SER A  67
VAL A 334
LEU A  13
 None
 1.01A 2hdnE-4ay7A:
undetectable
2hdnF-4ay7A:
undetectable
2hdnH-4ay7A:
undetectable		 2hdnE-4ay7A:
10.45
2hdnF-4ay7A:
24.18
2hdnH-4ay7A:
24.18
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 ASP B 288
PRO B 290
VAL B 231
LEU A 390
 None
 1.05A 2hdnE-4cakB:
undetectable
2hdnF-4cakB:
undetectable
2hdnH-4cakB:
undetectable		 2hdnE-4cakB:
4.54
2hdnF-4cakB:
17.29
2hdnH-4cakB:
17.29
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		4 SER A 213
ASP A 441
VAL A  71
LEU A 636
 NA  A 828 ( 4.5A)
NA  A 828 (-3.3A)
None
None
 0.90A 2hdnE-4fusA:
undetectable
2hdnF-4fusA:
undetectable
2hdnH-4fusA:
undetectable		 2hdnE-4fusA:
4.83
2hdnF-4fusA:
19.19
2hdnH-4fusA:
19.19
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		4 THR A 177
SER A  97
VAL A 139
LEU A  22
 None
 0.99A 2hdnE-4fwmA:
undetectable
2hdnF-4fwmA:
3.0
2hdnH-4fwmA:
2.9		 2hdnE-4fwmA:
9.59
2hdnF-4fwmA:
20.33
2hdnH-4fwmA:
20.33
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.
4gs5 ACYL-COA SYNTHETASE
(AMP-FORMING)/AMP-AC
ID LIGASE II-LIKE
PROTEIN

(Dyadobacter
fermentans) 		PF00501
(AMP-binding) 		4 THR A 140
PRO A 112
VAL A 124
LEU A 161
 None
 1.01A 2hdnE-4gs5A:
undetectable
2hdnF-4gs5A:
undetectable
2hdnH-4gs5A:
undetectable		 2hdnE-4gs5A:
8.85
2hdnF-4gs5A:
20.64
2hdnH-4gs5A:
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 248
ASP A 222
SER A 268
VAL A 266
 NCN  A 301 (-2.9A)
NCN  A 301 (-3.3A)
NCN  A 301 (-3.4A)
None
 1.06A 2hdnE-4i9aA:
undetectable
2hdnF-4i9aA:
2.2
2hdnH-4i9aA:
undetectable		 2hdnE-4i9aA:
7.94
2hdnF-4i9aA:
22.42
2hdnH-4i9aA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 SER A  80
PRO A  99
SER A 193
LEU A  55
 None
 0.83A 2hdnE-4iglA:
undetectable
2hdnF-4iglA:
undetectable
2hdnH-4iglA:
undetectable		 2hdnE-4iglA:
3.86
2hdnF-4iglA:
12.74
2hdnH-4iglA:
12.74
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 SER A 182
ASP A 408
VAL A  39
LEU A 604
 CA  A 704 ( 4.8A)
CA  A 704 (-3.3A)
None
None
 0.91A 2hdnE-4jjjA:
undetectable
2hdnF-4jjjA:
undetectable
2hdnH-4jjjA:
undetectable		 2hdnE-4jjjA:
4.61
2hdnF-4jjjA:
19.44
2hdnH-4jjjA:
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.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG
PUTATIVE
PERTUSSIS-LIKE TOXIN
SUBUNIT

(Salmonella
enterica) 		PF02917
(Pertussis_S1)
PF03372
(Exo_endo_phos) 		4 ASP G  36
PRO F 242
SER G  39
LEU F 219
 None
 1.02A 2hdnE-4k6lG:
undetectable
2hdnF-4k6lG:
undetectable
2hdnH-4k6lG:
undetectable		 2hdnE-4k6lG:
11.17
2hdnF-4k6lG:
20.00
2hdnH-4k6lG:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		4 THR A 127
ASP A  62
SER A  73
LEU A 225
 None
SAH  A 301 ( 4.5A)
None
None
 0.91A 2hdnE-4kdrA:
undetectable
2hdnF-4kdrA:
2.9
2hdnH-4kdrA:
undetectable		 2hdnE-4kdrA:
10.94
2hdnF-4kdrA:
20.82
2hdnH-4kdrA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		4 THR A 419
ASP A 393
SER A 437
VAL A 439
 None
 1.03A 2hdnE-4lm8A:
undetectable
2hdnF-4lm8A:
undetectable
2hdnH-4lm8A:
undetectable		 2hdnE-4lm8A:
4.82
2hdnF-4lm8A:
19.21
2hdnH-4lm8A:
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 152
ASP A 151
VAL A 185
LEU A 261
 None
 0.97A 2hdnE-4ln1A:
undetectable
2hdnF-4ln1A:
2.8
2hdnH-4ln1A:
2.5		 2hdnE-4ln1A:
8.17
2hdnF-4ln1A:
23.66
2hdnH-4ln1A:
23.66
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		4 THR A 174
ASP A 173
VAL A 144
LEU A 189
 None
 1.06A 2hdnE-4m7gA:
undetectable
2hdnF-4m7gA:
undetectable
2hdnH-4m7gA:
undetectable		 2hdnE-4m7gA:
8.70
2hdnF-4m7gA:
22.70
2hdnH-4m7gA:
22.70
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.
4pag PERIPLASMIC BINDING
PROTEIN

(Sulfurospirillum
deleyianum) 		PF01497
(Peripla_BP_2) 		4 ASP A  69
PRO A 288
SER A  63
LEU A 117
 None
 1.05A 2hdnE-4pagA:
undetectable
2hdnF-4pagA:
2.4
2hdnH-4pagA:
2.4		 2hdnE-4pagA:
8.68
2hdnF-4pagA:
22.55
2hdnH-4pagA:
22.55
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		4 THR X 299
SER X 257
SER X  33
VAL X  31
 None
 0.95A 2hdnE-4pkaX:
undetectable
2hdnF-4pkaX:
undetectable
2hdnH-4pkaX:
undetectable		 2hdnE-4pkaX:
8.52
2hdnF-4pkaX:
22.72
2hdnH-4pkaX:
22.72
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.
4pl7 ACTIN,THYMOSIN
BETA-4

(Homo sapiens;
Komagataella
phaffii) 		PF00022
(Actin)
PF01290
(Thymosin) 		4 THR A 409
PRO A  27
SER A 344
LEU A  96
 None
 1.06A 2hdnE-4pl7A:
undetectable
2hdnF-4pl7A:
2.9
2hdnH-4pl7A:
2.7		 2hdnE-4pl7A:
7.18
2hdnF-4pl7A:
21.51
2hdnH-4pl7A:
21.51
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		4 THR A 132
SER A 187
ASP A 136
SER A 215
 None
 1.03A 2hdnE-4pz2A:
undetectable
2hdnF-4pz2A:
undetectable
2hdnH-4pz2A:
undetectable		 2hdnE-4pz2A:
5.72
2hdnF-4pz2A:
23.28
2hdnH-4pz2A:
23.28
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.
4r5o QUINONPROTEIN
ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF16819
(DUF5074)
PF16820
(PKD_3) 		4 SER A 114
ASP A  97
SER A  48
VAL A  50
 7PE  A 502 ( 3.7A)
7PE  A 502 (-3.5A)
7PE  A 502 ( 4.5A)
None
 0.99A 2hdnE-4r5oA:
undetectable
2hdnF-4r5oA:
undetectable
2hdnH-4r5oA:
undetectable		 2hdnE-4r5oA:
8.04
2hdnF-4r5oA:
22.39
2hdnH-4r5oA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		4 THR A 103
PRO A 129
SER A 137
LEU A 256
 None
 0.98A 2hdnE-4rdcA:
undetectable
2hdnF-4rdcA:
2.7
2hdnH-4rdcA:
2.9		 2hdnE-4rdcA:
7.94
2hdnF-4rdcA:
21.48
2hdnH-4rdcA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xd0 TDP-3-AMINOQUINOVOSE
-N-FORMYLTRANSFERASE

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N)
PF12796
(Ank_2) 		4 SER A 243
PRO A 245
SER A 241
LEU A 267
 None
K  A 404 ( 4.8A)
K  A 404 (-4.9A)
None
 1.06A 2hdnE-4xd0A:
undetectable
2hdnF-4xd0A:
undetectable
2hdnH-4xd0A:
undetectable		 2hdnE-4xd0A:
8.49
2hdnF-4xd0A:
21.01
2hdnH-4xd0A:
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 SER A 180
ASP A 397
VAL A  38
LEU A 597
 None
 0.86A 2hdnE-4xwlA:
undetectable
2hdnF-4xwlA:
undetectable
2hdnH-4xwlA:
undetectable		 2hdnE-4xwlA:
6.14
2hdnF-4xwlA:
19.17
2hdnH-4xwlA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 SER A 269
ASP A 272
PRO A 211
LEU A  98
 None
 1.01A 2hdnE-4z8zA:
undetectable
2hdnF-4z8zA:
3.3
2hdnH-4z8zA:
3.2		 2hdnE-4z8zA:
7.69
2hdnF-4z8zA:
19.79
2hdnH-4z8zA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A  26
SER A  66
ASP A  81
PRO A  83
 MG  A 502 ( 3.1A)
None
MG  A 502 (-3.7A)
MG  A 502 ( 4.1A)
 0.56A 2hdnE-4zv4A:
undetectable
2hdnF-4zv4A:
41.6
2hdnH-4zv4A:
41.7		 2hdnE-4zv4A:
64.44
2hdnF-4zv4A:
84.41
2hdnH-4zv4A:
84.41
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN
SRX DOMAIN

(Chaetomium
thermophilum) 		PF04086
(SRP-alpha_N)
PF09439
(SRPRB) 		4 SER B 107
SER A  12
VAL A  14
LEU B 115
 GTP  B 402 ( 2.3A)
None
None
None
 0.80A 2hdnE-5ck3B:
undetectable
2hdnF-5ck3B:
6.4
2hdnH-5ck3B:
6.6		 2hdnE-5ck3B:
9.31
2hdnF-5ck3B:
20.98
2hdnH-5ck3B:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fhi GLUTATHIONE
S-TRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 THR A 200
ASP A  12
SER A 165
LEU A 153
 None
 1.06A 2hdnE-5fhiA:
undetectable
2hdnF-5fhiA:
undetectable
2hdnH-5fhiA:
undetectable		 2hdnE-5fhiA:
8.97
2hdnF-5fhiA:
20.96
2hdnH-5fhiA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hop LMO0182 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 THR A 136
ASP A  84
SER A  76
LEU A 171
 None
 0.96A 2hdnE-5hopA:
undetectable
2hdnF-5hopA:
undetectable
2hdnH-5hopA:
undetectable		 2hdnE-5hopA:
14.47
2hdnF-5hopA:
21.49
2hdnH-5hopA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ASP A1068
PRO A1067
SER A1050
LEU A1086
 None
 1.04A 2hdnE-5i6hA:
undetectable
2hdnF-5i6hA:
3.3
2hdnH-5i6hA:
3.3		 2hdnE-5i6hA:
2.97
2hdnF-5i6hA:
13.01
2hdnH-5i6hA:
13.01
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.
5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF12436
(USP7_ICP0_bdg) 		4 THR A 247
SER A 255
ASP A 250
LEU A 238
 None
 0.98A 2hdnE-5j7tA:
undetectable
2hdnF-5j7tA:
undetectable
2hdnH-5j7tA:
undetectable		 2hdnE-5j7tA:
5.17
2hdnF-5j7tA:
19.91
2hdnH-5j7tA:
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.
5ldn ANTIBODY

(Mus musculus) 		no annotation 5 THR H 120
SER H 205
PRO H 122
VAL H 153
LEU H 173
 None
 1.49A 2hdnE-5ldnH:
undetectable
2hdnF-5ldnH:
undetectable
2hdnH-5ldnH:
undetectable		 2hdnE-5ldnH:
9.64
2hdnF-5ldnH:
19.02
2hdnH-5ldnH:
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 THR A  54
SER A 779
SER A 775
VAL A 773
 None
 1.00A 2hdnE-5m2nA:
undetectable
2hdnF-5m2nA:
undetectable
2hdnH-5m2nA:
undetectable		 2hdnE-5m2nA:
4.78
2hdnF-5m2nA:
18.83
2hdnH-5m2nA:
18.83
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 SER A 703
SER A 741
VAL A 743
LEU A 713
 None
 1.01A 2hdnE-5m60A:
undetectable
2hdnF-5m60A:
undetectable
2hdnH-5m60A:
undetectable		 2hdnE-5m60A:
4.17
2hdnF-5m60A:
17.96
2hdnH-5m60A:
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.
5mxf PHOTORHABDUS
ASYMBIOTICA LECTIN
PHL

(Photorhabdus
asymbiotica) 		PF03984
(DUF346) 		4 SER A  39
ASP A  40
VAL A  36
LEU A  74
 None
NA  A 405 (-2.8A)
None
None
 1.03A 2hdnE-5mxfA:
undetectable
2hdnF-5mxfA:
undetectable
2hdnH-5mxfA:
undetectable		 2hdnE-5mxfA:
7.05
2hdnF-5mxfA:
19.90
2hdnH-5mxfA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 THR A 567
SER A 683
SER A 680
LEU A 510
 None
 1.04A 2hdnE-5n2gA:
undetectable
2hdnF-5n2gA:
5.4
2hdnH-5n2gA:
5.4		 2hdnE-5n2gA:
16.18
2hdnF-5n2gA:
12.13
2hdnH-5n2gA:
12.13
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 4 THR B 151
SER B 170
VAL B 172
LEU B 428
 None
 0.91A 2hdnE-5n5nB:
undetectable
2hdnF-5n5nB:
2.4
2hdnH-5n5nB:
2.5		 2hdnE-5n5nB:
6.10
2hdnF-5n5nB:
23.21
2hdnH-5n5nB:
23.21
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 4 ASP A 101
SER A 216
VAL A 218
LEU A  72
 None
 1.01A 2hdnE-5nxyA:
undetectable
2hdnF-5nxyA:
undetectable
2hdnH-5nxyA:
undetectable		 2hdnE-5nxyA:
21.05
2hdnF-5nxyA:
11.68
2hdnH-5nxyA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		4 SER A 234
ASP A 248
SER A 222
VAL A 220
 None
 0.78A 2hdnE-5o8oA:
undetectable
2hdnF-5o8oA:
undetectable
2hdnH-5o8oA:
undetectable		 2hdnE-5o8oA:
10.64
2hdnF-5o8oA:
21.39
2hdnH-5o8oA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 4 ASP A  60
PRO A  79
SER A  87
LEU A 310
 None
FAD  A 602 (-4.3A)
FAD  A 602 (-2.8A)
None
 1.01A 2hdnE-5oc1A:
undetectable
2hdnF-5oc1A:
undetectable
2hdnH-5oc1A:
undetectable		 2hdnE-5oc1A:
6.14
2hdnF-5oc1A:
19.52
2hdnH-5oc1A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 SER A 451
SER A 464
VAL A 466
LEU A 362
 None
 1.06A 2hdnE-5tr0A:
undetectable
2hdnF-5tr0A:
undetectable
2hdnH-5tr0A:
undetectable		 2hdnE-5tr0A:
4.81
2hdnF-5tr0A:
18.29
2hdnH-5tr0A:
18.29
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.
5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE

(Homo sapiens) 		no annotation 4 THR A 347
ASP A 345
VAL A 381
LEU A  32
 None
 1.00A 2hdnE-5txfA:
undetectable
2hdnF-5txfA:
2.3
2hdnH-5txfA:
undetectable		 2hdnE-5txfA:
7.47
2hdnF-5txfA:
23.64
2hdnH-5txfA:
23.64
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.
5ufl PROTEIN CIP2A

(Homo sapiens) 		no annotation 4 ASP A 246
SER A 201
VAL A 204
LEU A 118
 None
 1.04A 2hdnE-5uflA:
undetectable
2hdnF-5uflA:
undetectable
2hdnH-5uflA:
undetectable		 2hdnE-5uflA:
5.78
2hdnF-5uflA:
20.50
2hdnH-5uflA:
20.50
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		4 SER A 533
SER A 516
VAL A 518
LEU A 386
 None
 0.79A 2hdnE-5uy7A:
undetectable
2hdnF-5uy7A:
undetectable
2hdnH-5uy7A:
undetectable		 2hdnE-5uy7A:
5.83
2hdnF-5uy7A:
21.23
2hdnH-5uy7A:
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 4 ASP A 250
PRO A 248
SER A 162
LEU A 228
 None
 0.98A 2hdnE-5x3hA:
undetectable
2hdnF-5x3hA:
undetectable
2hdnH-5x3hA:
undetectable		 2hdnE-5x3hA:
13.42
2hdnF-5x3hA:
21.83
2hdnH-5x3hA:
21.83
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 SER A1364
PRO A1077
VAL A1366
LEU A1107
 None
 1.04A 2hdnE-5xogA:
undetectable
2hdnF-5xogA:
2.2
2hdnH-5xogA:
2.2		 2hdnE-5xogA:
2.50
2hdnF-5xogA:
12.56
2hdnH-5xogA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		4 THR A2160
ASP A2162
PRO A1624
LEU A2182
 None
 1.04A 2hdnE-5y4dA:
undetectable
2hdnF-5y4dA:
undetectable
2hdnH-5y4dA:
undetectable		 2hdnE-5y4dA:
6.50
2hdnF-5y4dA:
20.03
2hdnH-5y4dA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6am0 KLLA0A01474P
KLLA0F23980P

(Kluyveromyces
lactis) 		no annotation 4 THR C 363
ASP A  33
PRO A  31
SER A  35
 None
 1.01A 2hdnE-6am0C:
undetectable
2hdnF-6am0C:
undetectable
2hdnH-6am0C:
undetectable		 2hdnE-6am0C:
25.00
2hdnF-6am0C:
8.23
2hdnH-6am0C:
8.23
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.
6bk1 UDP-GLYCOSYLTRANSFER
ASE 79

(Oryza sativa) 		no annotation 4 ASP A 385
SER A 390
VAL A 393
LEU A 350
 None
 0.97A 2hdnE-6bk1A:
undetectable
2hdnF-6bk1A:
2.5
2hdnH-6bk1A:
3.1		 2hdnE-6bk1A:
19.23
2hdnF-6bk1A:
11.93
2hdnH-6bk1A:
11.93
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 THR A 189
ASP A 157
VAL A 148
LEU A 127
 None
 1.04A 2hdnE-6bu3A:
undetectable
2hdnF-6bu3A:
undetectable
2hdnH-6bu3A:
undetectable		 2hdnE-6bu3A:
20.37
2hdnF-6bu3A:
12.50
2hdnH-6bu3A:
12.50
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 4 SER A1830
ASP A2081
SER A1829
LEU A1791
 None
 0.92A 2hdnE-6fayA:
undetectable
2hdnF-6fayA:
undetectable
2hdnH-6fayA:
undetectable		 2hdnE-6fayA:
18.99
2hdnF-6fayA:
13.43
2hdnH-6fayA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus) 		no annotation 4 SER H 109
SER H 110
VAL H 113
LEU H 285
 None
 0.99A 2hdnE-6g72H:
undetectable
2hdnF-6g72H:
undetectable
2hdnH-6g72H:
undetectable		 2hdnE-6g72H:
16.44
2hdnF-6g72H:
12.54
2hdnH-6g72H:
12.54