SIMILAR PATTERNS OF AMINO ACIDS FOR 2ADM_B_SAMB500_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.
1dxe 2-DEHYDRO-3-DEOXY-GA
LACTARATE ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ALA A 235
PRO A 177
ILE A  21
ALA A 223
ASP A  42
 None
PO4  A 301 (-3.9A)
None
None
None
 1.21A 2admB-1dxeA:
undetectable		 2admB-1dxeA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 THR A 191
ALA A  93
ILE A  65
ALA A  99
ASP A  61
 None
 1.34A 2admB-1e4yA:
undetectable		 2admB-1e4yA:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		11 VAL A  21
THR A  23
GLU A  45
ALA A  47
PRO A  52
GLU A  71
ILE A  72
ALA A  76
ASP A  89
PRO A 107
PHE A 146
 NEA  A 500 ( 4.8A)
None
None
NEA  A 500 (-3.1A)
None
NEA  A 500 (-2.8A)
NEA  A 500 (-3.8A)
NEA  A 500 ( 3.7A)
NEA  A 500 (-3.4A)
NEA  A 500 (-3.8A)
None
 0.61A 2admB-1g38A:
54.5		 2admB-1g38A:
99.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 VAL A 184
ALA A 130
ILE A 108
ALA A 145
ASP A 112
 None
POP  A2003 (-3.5A)
None
None
MG  A2007 ( 2.6A)
 1.08A 2admB-1g67A:
undetectable		 2admB-1g67A:
18.91
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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 158
GLU A 249
ALA A 248
ALA A 243
PHE A 305
 None
 1.35A 2admB-1gngA:
undetectable		 2admB-1gngA:
22.96
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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 VAL A 298
GLU A  32
ALA A  30
ASP A 318
PHE A 290
 None
 1.16A 2admB-1jdpA:
3.1		 2admB-1jdpA:
25.25
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLU A 276
ALA A 277
PRO A 249
ALA A 280
PHE A 233
 None
 1.21A 2admB-1loxA:
undetectable		 2admB-1loxA:
20.77
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 VAL A 316
GLU A 276
ALA A 277
PRO A 249
PHE A 233
 None
 1.34A 2admB-1loxA:
undetectable		 2admB-1loxA:
20.77
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 VAL A 160
ALA A 215
ILE A  75
ALA A  70
ASP A  79
 None
 1.26A 2admB-1m22A:
undetectable		 2admB-1m22A:
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		6 VAL A  87
GLU A  66
ALA A  67
ALA A  72
PRO A  48
PHE A  56
 None
 1.36A 2admB-1m33A:
undetectable		 2admB-1m33A:
21.20
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 THR A  29
ILE A  79
ALA A  83
ASP A 100
PHE A 128
 None
 0.83A 2admB-1ne2A:
6.6		 2admB-1ne2A:
17.41
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.
1oy3 TRANSCRIPTION FACTOR
INHIBITOR
I-KAPPA-B-BETA

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 VAL D 120
THR D 129
ALA D 143
PRO D 210
ALA D 229
 None
 1.29A 2admB-1oy3D:
undetectable		 2admB-1oy3D:
22.33
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 THR A  42
ALA A 200
PRO A  53
ALA A 197
PHE A 322
 None
 1.34A 2admB-1s6rA:
undetectable		 2admB-1s6rA:
22.35
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.
1tlh 10 KDA ANTI-SIGMA
FACTOR

(Escherichia
virus T4) 		PF09010
(AsiA) 		5 VAL A   8
THR A   7
ALA A  15
ILE A  19
PHE A  33
 None
 1.23A 2admB-1tlhA:
undetectable		 2admB-1tlhA:
13.06
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLU A 200
ALA A 198
PRO A 201
ALA A 270
ASP A 235
 None
 1.29A 2admB-1ve1A:
2.0		 2admB-1ve1A:
24.65
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.
1w98 G1/S-SPECIFIC CYCLIN
E1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 VAL B 140
GLU B 189
ALA B 185
ILE B 183
ALA B 154
 None
 1.27A 2admB-1w98B:
undetectable		 2admB-1w98B:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLU A  79
ALA A  84
ASP A 105
PRO A 121
PHE A 133
 SAH  A1001 (-2.8A)
SAH  A1001 ( 4.8A)
SAH  A1001 (-3.2A)
None
SAH  A1001 (-4.7A)
 0.82A 2admB-1wy7A:
6.9		 2admB-1wy7A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A 657
GLU A 140
ALA A 343
PRO A 170
PHE A 129
 None
CU  A1741 (-2.7A)
None
None
None
 1.25A 2admB-2c11A:
undetectable		 2admB-2c11A:
21.91
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.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		5 GLU A  94
ALA A 279
GLU A 280
ALA A 121
PRO A 103
 None
 1.23A 2admB-2cwlA:
undetectable		 2admB-2cwlA:
21.99
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 GLU A 249
ALA A 252
ILE A 262
ALA B 420
ASP A 266
 None
 1.32A 2admB-2e0xA:
undetectable		 2admB-2e0xA:
23.39
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 THR A  98
ALA A 126
ASP A 180
PRO A 198
PHE A 226
 SAM  A 400 (-3.8A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
SAM  A 400 (-4.9A)
 1.07A 2admB-2f8lA:
20.0		 2admB-2f8lA:
21.87
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 339
PRO A 369
GLU A 355
PRO A 229
PHE A 230
 None
 1.30A 2admB-2gp6A:
undetectable		 2admB-2gp6A:
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 VAL A 560
ALA A 326
PRO A 341
GLU A 551
ASP A 333
 None
 1.30A 2admB-2grvA:
undetectable		 2admB-2grvA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 THR A 515
ALA A 488
ILE A 585
ALA A 523
ASP A 555
 None
 1.27A 2admB-2j42A:
undetectable		 2admB-2j42A:
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.
2kyf PARVALBUMIN, THYMIC
CPV3

(Gallus gallus) 		PF13499
(EF-hand_7) 		5 GLU A 100
ALA A  99
ILE A  58
ALA A  89
ASP A  51
 None
None
None
None
CA  A 109 (-3.1A)
 1.32A 2admB-2kyfA:
undetectable		 2admB-2kyfA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mx9 MINOR AMPULLATE
SPIDROIN

(Araneus
ventricosus) 		PF16763
(Spidroin_N) 		5 THR A 105
ALA A 111
GLU A 115
ALA A  71
PRO A   7
 None
 1.18A 2admB-2mx9A:
undetectable		 2admB-2mx9A:
14.29
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 THR A 154
ALA A 178
ASP A 243
PRO A 261
PHE A 288
 SAM  A 500 (-3.6A)
SAM  A 500 (-3.4A)
SAM  A 500 (-3.3A)
SAM  A 500 (-4.1A)
SAM  A 500 (-4.8A)
 1.00A 2admB-2okcA:
20.8		 2admB-2okcA:
23.01
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 158
GLU A 153
ALA A 152
ILE A 181
ALA A 139
 None
 1.33A 2admB-2oqhA:
undetectable		 2admB-2oqhA:
24.62
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 THR A 656
GLU A 139
ALA A 342
PRO A 169
PHE A 128
 None
 1.26A 2admB-2pncA:
undetectable		 2admB-2pncA:
20.24
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.
2pwq UBIQUITIN
CONJUGATING ENZYME

(Plasmodium
yoelii) 		PF00179
(UQ_con) 		5 ALA A 140
ILE A  74
ALA A 148
PRO A  45
PHE A 136
 None
 1.25A 2admB-2pwqA:
undetectable		 2admB-2pwqA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 588
ALA A 643
PRO A 600
ALA A 982
PHE A 651
 None
 0.98A 2admB-2qf7A:
2.8		 2admB-2qf7A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vws YFAU, 2-KETO-3-DEOXY
SUGAR ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ALA A 235
PRO A 177
ILE A  20
ALA A 223
ASP A  41
 None
 1.34A 2admB-2vwsA:
undetectable		 2admB-2vwsA:
21.20
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 338
PRO A 368
GLU A 354
PRO A 229
PHE A 230
 None
None
NA  A1426 (-3.2A)
None
None
 1.32A 2admB-2wgeA:
undetectable		 2admB-2wgeA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wj9 INTERGENIC-REGION
PROTEIN

(Escherichia
coli) 		PF03230
(Antirestrict) 		5 VAL A  94
THR A  92
GLU A 148
ALA A 151
ALA A 114
 None
 1.27A 2admB-2wj9A:
undetectable		 2admB-2wj9A:
14.62
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 210
ALA A 204
ALA A 136
ASP A  76
PRO A  28
 None
 1.04A 2admB-2wtzA:
undetectable		 2admB-2wtzA:
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.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		5 GLU A 340
ALA A 341
ILE A 223
ALA A 216
ASP A 285
 None
 1.32A 2admB-2x4lA:
undetectable		 2admB-2x4lA:
22.53
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 THR B 151
ALA B 175
GLU B 216
PRO B 268
PHE B 292
 None
 0.91A 2admB-2y7cB:
19.2		 2admB-2y7cB:
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.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		5 VAL A 235
ALA A 165
ALA A 178
ASP A 160
PRO A 241
 None
None
None
CO  A 307 (-3.8A)
None
 1.33A 2admB-2z06A:
undetectable		 2admB-2z06A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 THR A 347
ALA A 255
GLU A 258
PRO A 354
PHE A 358
 None
 1.26A 2admB-3afeA:
undetectable		 2admB-3afeA:
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.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		5 VAL A  36
THR A  38
ILE A 319
ALA A 314
PRO A 288
 None
 1.18A 2admB-3blwA:
undetectable		 2admB-3blwA:
24.44
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 GLU A  66
ILE A  67
ALA A  71
ASP A  86
PRO A 110
 None
SO4  A 201 ( 4.9A)
None
SO4  A 201 (-4.4A)
None
 0.91A 2admB-3c85A:
5.3		 2admB-3c85A:
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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		5 VAL A 315
GLU A 275
ALA A 276
PRO A 248
PHE A 232
 None
 1.28A 2admB-3d3lA:
undetectable		 2admB-3d3lA:
21.20
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.
3dad FH1/FH2
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 VAL A 278
THR A 279
ALA A 333
ASP A 338
PHE A 294
 None
 1.21A 2admB-3dadA:
undetectable		 2admB-3dadA:
22.43
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 GLU A 297
ALA A 296
ILE A 237
ALA A 303
ASP A 261
 None
 1.11A 2admB-3dwzA:
undetectable		 2admB-3dwzA:
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 ALA A 223
GLU A 197
ILE A 245
ALA A 196
ASP A 244
 None
 1.11A 2admB-3e96A:
undetectable		 2admB-3e96A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efe THIJ/PFPI FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01965
(DJ-1_PfpI) 		5 THR A 113
GLU A  18
ALA A 166
ALA A 171
PRO A 152
 None
 1.28A 2admB-3efeA:
undetectable		 2admB-3efeA:
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLU A  36
GLU A  59
ILE A  60
ASP A  84
PRO A 103
 None
 0.52A 2admB-3fydA:
13.2		 2admB-3fydA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLU A  29
ILE A  30
ALA A  34
ASP A  51
PRO A  78
 None
 0.74A 2admB-3g7uA:
9.2		 2admB-3g7uA:
23.04
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLU A  36
GLU A  59
ILE A  60
ASP A  84
PRO A 103
 SAM  A 300 (-4.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.8A)
 0.41A 2admB-3gryA:
14.6		 2admB-3gryA:
24.53
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.
3jxa CONTACTIN 4

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 GLU A 228
ALA A 249
ILE A 257
ALA A 306
PRO A 225
 None
 1.20A 2admB-3jxaA:
undetectable		 2admB-3jxaA:
22.20
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.
3pr4 DNA POLYMERASE IV

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 VAL A  32
GLU A  16
ALA A  12
ILE A 104
ASP A 105
 None
None
ATP  A 342 (-3.1A)
None
ATP  A 342 ( 3.0A)
 1.05A 2admB-3pr4A:
undetectable		 2admB-3pr4A:
24.89
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 THR A 124
ALA A 160
PRO A 155
ILE A 205
ASP A 204
 None
 0.97A 2admB-3q9cA:
undetectable		 2admB-3q9cA:
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.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 PRO A 220
GLU A 228
ILE A  22
ALA A 230
PRO A 283
 None
 0.93A 2admB-3rcmA:
undetectable		 2admB-3rcmA:
22.86
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 VAL A 316
GLU A 276
ALA A 277
PRO A 249
PHE A 233
 None
 1.28A 2admB-3rdeA:
undetectable		 2admB-3rdeA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ALA A 329
ILE A 356
ASP A 388
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-4.0A)
None
 0.92A 2admB-3s1sA:
19.8		 2admB-3s1sA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 VAL A 407
ALA A 441
ALA A 265
ASP A 445
PRO A 254
 None
 1.27A 2admB-3tbkA:
2.1		 2admB-3tbkA:
23.39
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 VAL A  78
ALA A  51
PRO A  31
ALA A  69
PHE A 107
 None
 1.30A 2admB-3tp9A:
undetectable		 2admB-3tp9A:
24.35
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.
3tw5 TRANSGLUTAMINASE
ELICITOR

(Phytophthora
sojae) 		PF16683
(TGase_elicitor) 		5 VAL A 517
ALA A 321
PRO A 303
ILE A 289
ALA A 296
 None
 1.19A 2admB-3tw5A:
undetectable		 2admB-3tw5A:
19.16
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.
3ty6 ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Bacillus
anthracis) 		PF00227
(Proteasome) 		5 VAL A  12
ALA A 136
ILE A 163
ALA A 142
ASP A 166
 None
 1.22A 2admB-3ty6A:
undetectable		 2admB-3ty6A:
18.59
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.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		5 VAL A 387
THR A 388
GLU A 481
ILE A 445
ALA A 480
 None
 1.32A 2admB-3vsmA:
undetectable		 2admB-3vsmA:
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 ALA A 307
PRO A 381
GLU A 391
ILE A 393
ALA A 375
 None
 1.31A 2admB-3vxiA:
undetectable		 2admB-3vxiA:
21.15
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.
3zei O-ACETYLSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLU A 203
ALA A 201
PRO A 204
ALA A 273
ASP A 238
 None
 1.32A 2admB-3zeiA:
2.6		 2admB-3zeiA:
23.57
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 VAL A 841
THR A 839
ALA A 863
ALA A 530
ASP A 867
 None
 1.25A 2admB-4ammA:
undetectable		 2admB-4ammA:
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.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 GLU A 281
ALA A 280
ILE A 221
ALA A 287
ASP A 246
 PEG  A 295 ( 4.9A)
None
None
None
None
 1.21A 2admB-4c75A:
undetectable		 2admB-4c75A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccy CARBOXYLESTERASE
YBFK

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 VAL B  38
GLU B  34
ALA B  35
ALA B  86
ASP B  23
 None
 1.11A 2admB-4ccyB:
2.0		 2admB-4ccyB:
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.
4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA

(Escherichia
coli;
Salmonella
enterica) 		PF13416
(SBP_bac_8)
PF16583
(ZirS_C) 		5 VAL A 407
ALA A 369
ILE A 178
ALA A 338
ASP A 177
 None
 1.26A 2admB-4exkA:
undetectable		 2admB-4exkA:
22.46
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 VAL A 798
ALA A 661
PRO A 815
ILE A 691
PRO A 600
 None
 1.18A 2admB-4ft2A:
8.6		 2admB-4ft2A:
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 224
GLU A 203
ALA A 204
PRO A 222
PHE A 219
 None
 1.33A 2admB-4hpnA:
undetectable		 2admB-4hpnA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 GLU A 166
ALA A 167
ILE A 160
ALA A 109
PHE A  27
 None
 1.21A 2admB-4inlA:
undetectable		 2admB-4inlA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 THR A 588
ALA A 643
PRO A 600
ALA A 982
PHE A 651
 None
 0.98A 2admB-4jx6A:
undetectable		 2admB-4jx6A:
22.48
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 THR A  75
GLU A 111
ALA A 110
ILE A  50
ALA A 121
 None
 1.32A 2admB-4k91A:
undetectable		 2admB-4k91A:
22.84
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.
4l1y SALIVARY NITROPHORIN

(Cimex
lectularius) 		no annotation 6 VAL A 218
THR A 219
ALA A 276
ILE A 169
PRO A 216
PHE A 278
 None
 1.36A 2admB-4l1yA:
undetectable		 2admB-4l1yA:
21.13
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 GLU A  25
ALA A 283
ASP A 288
PRO A 279
PHE A 267
 None
 1.26A 2admB-4mlcA:
undetectable		 2admB-4mlcA:
23.04
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 VAL A 531
GLU A 525
ALA A 975
ILE A 982
PRO A1030
 None
 1.30A 2admB-4mt1A:
undetectable		 2admB-4mt1A:
18.64
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.
4pxb UREIDOGLYCOLATE
HYDROLASE

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20) 		5 VAL A 212
GLU A 222
ALA A 223
ALA A 230
ASP A  93
 None
 1.23A 2admB-4pxbA:
undetectable		 2admB-4pxbA:
24.90
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A  30
GLU A 323
ILE A 310
ALA A 321
PRO A  27
 None
 1.15A 2admB-4q05A:
undetectable		 2admB-4q05A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 VAL A 152
THR A 154
GLU A  96
ILE A 130
PHE A  94
 None
 1.29A 2admB-4q73A:
undetectable		 2admB-4q73A:
18.73
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.
4r8f VACUOLAR
AMINOPEPTIDASE 1

(Saccharomyces
cerevisiae) 		PF02127
(Peptidase_M18) 		5 VAL A 386
THR A 383
ILE A 429
ALA A 340
ASP A 445
 None
 1.11A 2admB-4r8fA:
undetectable		 2admB-4r8fA:
22.05
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 VAL A 553
THR A 552
ALA A 363
ILE A 360
ALA A 414
 BCR  A6008 (-3.9A)
CLA  A1124 (-3.5A)
BCR  A6008 (-3.7A)
BCR  A6007 ( 4.5A)
BCR  A6007 ( 3.8A)
 1.15A 2admB-4rkuA:
undetectable		 2admB-4rkuA:
19.22
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.
4w78 HYDRATASE CHSH2

(Mycobacterium
tuberculosis) 		no annotation 5 VAL B  21
THR B  23
ALA B  86
ALA B  40
PRO B  17
 None
 0.93A 2admB-4w78B:
undetectable		 2admB-4w78B:
14.86
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 THR A1425
GLU A1632
ALA A1129
ASP A1596
PRO A1184
 None
 1.16A 2admB-5a42A:
undetectable		 2admB-5a42A:
14.14
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 VAL A 491
THR A 489
ILE A 509
ALA A 133
PHE A 497
 None
 1.25A 2admB-5ah5A:
undetectable		 2admB-5ah5A:
20.32
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 VAL C 284
THR C 280
PRO C 130
ALA C 113
PRO C 286
 None
 1.20A 2admB-5cw2C:
undetectable		 2admB-5cw2C:
25.78
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 GLU A 254
ALA A 330
GLU A 331
ASP A 269
PHE A 328
 None
 1.19A 2admB-5egeA:
undetectable		 2admB-5egeA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jb3 30S RIBOSOMAL
PROTEIN S8E

(Pyrococcus
abyssi) 		PF01201
(Ribosomal_S8e) 		5 VAL J  37
THR J  35
ALA J  99
PRO J 114
ALA J 122
 None
 1.26A 2admB-5jb3J:
undetectable		 2admB-5jb3J:
16.63
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 GLU A 155
ALA A 152
ILE A 640
ASP A 637
PRO A 150
 None
 1.16A 2admB-5kvuA:
undetectable		 2admB-5kvuA:
20.56
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.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		5 VAL A 197
ALA A 178
GLU A 266
ILE A 283
ASP A 156
 HEM  A 501 (-4.2A)
DMN  A 502 ( 4.4A)
DMN  A 502 (-2.9A)
DMN  A 502 ( 4.7A)
None
 1.30A 2admB-5ltiA:
undetectable		 2admB-5ltiA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 VAL A 588
THR A 593
PRO A 365
ILE A 517
ALA A 610
 None
 1.12A 2admB-5nn8A:
undetectable		 2admB-5nn8A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		5 GLU C 323
ALA C 324
ILE C 328
ALA C 348
PRO C 320
 None
 1.18A 2admB-5vhjC:
undetectable		 2admB-5vhjC:
21.46
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 PRO A 508
GLU A 524
ILE A 525
ASP A 551
PHE A 592
 None
SAH  A 705 (-2.7A)
SAH  A 705 (-3.6A)
SAH  A 705 (-3.4A)
SAH  A 705 (-4.6A)
 1.23A 2admB-5wcjA:
12.1		 2admB-5wcjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 VAL A 102
THR A 227
PRO A 239
ALA A 217
ASP A  76
 None
None
None
None
PO4  A 400 (-3.0A)
 1.28A 2admB-5wnnA:
undetectable		 2admB-5wnnA:
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 VAL A 102
THR A 227
PRO A 239
GLU A 215
ALA A 217
 None
 1.27A 2admB-5wnnA:
undetectable		 2admB-5wnnA:
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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 VAL A 459
ALA A 370
ILE A 179
ALA A 373
ASP A 178
 None
 1.27A 2admB-5wq6A:
undetectable		 2admB-5wq6A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 THR A   7
GLU A  48
ALA A 209
ILE A 211
ASP A  68
 None
 1.27A 2admB-5wslA:
2.3		 2admB-5wslA:
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 6 PRO A 196
GLU A 213
ILE A 214
ALA A 218
ASP A 243
PRO A 262
 None
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
 0.77A 2admB-5wt3A:
11.8		 2admB-5wt3A:
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.
5xnc -

(-) 		no annotation 5 ILE A 180
ALA A 122
ASP A 206
PRO A 227
PHE A 236
 MTA  A 401 (-3.6A)
None
MTA  A 401 (-3.6A)
MTA  A 401 (-3.7A)
MTA  A 401 (-4.8A)
 1.30A 2admB-5xncA:
11.6		 2admB-5xncA:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 VAL A  53
THR A  54
ALA A 436
ALA A 433
ASP A 391
 None
 1.20A 2admB-5yp3A:
undetectable		 2admB-5yp3A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 VAL A 184
ALA A 147
ALA A  37
ASP A 121
PRO A 178
 None
 1.33A 2admB-6c62A:
undetectable		 2admB-6c62A:
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.
6fq3 E3 UBIQUITIN-PROTEIN
LIGASE TRIM71

(Danio rerio) 		no annotation 5 THR A 720
ALA A 663
ILE A 670
ALA A 626
PHE A 711
 None
 1.17A 2admB-6fq3A:
undetectable		 2admB-6fq3A:
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.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 VAL A   5
ALA A  87
ILE A 107
ALA A 115
PHE A 139
 None
 1.29A 2admB-6ft1A:
undetectable		 2admB-6ft1A:
undetectable