SIMILAR PATTERNS OF AMINO ACIDS FOR 2AVD_B_SAMB601_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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 GLY A 167
PHE A 194
VAL A 174
ASP A 166
ALA A 163
 None
 1.38A 2avdB-1g6oA:
3.8		 2avdB-1g6oA:
20.06
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 144
ALA A 250
ASP A 147
ALA A 143
ARG A 150
 None
None
None
NAD  A1306 ( 4.7A)
None
 1.31A 2avdB-1gv0A:
4.7		 2avdB-1gv0A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 372
ALA A 368
ALA A 182
TYR A 183
ARG A 187
 None
 1.29A 2avdB-1hjoA:
0.1		 2avdB-1hjoA:
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 VAL A 340
ASP A 279
ALA A 276
TYR A 277
ARG A 283
 None
 1.42A 2avdB-1lqaA:
0.0		 2avdB-1lqaA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 SER A 368
GLY A 648
VAL A 665
ALA A 658
ALA A 662
 None
 1.26A 2avdB-1mhsA:
0.6		 2avdB-1mhsA:
14.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 GLY A  26
PHE A  25
TYR A 358
ALA A 199
ALA A 223
 CYS  A2002 (-4.8A)
None
None
PLP  A2001 (-3.4A)
None
 1.06A 2avdB-1n31A:
3.8		 2avdB-1n31A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 GLY A  27
PHE A  25
TYR A 358
ALA A 199
ALA A 223
 CYS  A2002 (-3.3A)
None
None
PLP  A2001 (-3.4A)
None
 1.40A 2avdB-1n31A:
3.8		 2avdB-1n31A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 SER A 403
GLY A  22
TYR A  53
ALA A  27
ARG A  51
 FAD  A 652 ( 4.1A)
FAD  A 652 (-3.4A)
None
None
FAD  A 652 (-3.7A)
 1.38A 2avdB-1o5wA:
2.3		 2avdB-1o5wA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLY A 342
PHE A 305
VAL A 358
ALA A 334
ALA A 343
 None
 1.32A 2avdB-1pieA:
0.0		 2avdB-1pieA:
18.18
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.
1qgc PROTEIN (GH-LOOP
FROM VIRUS CAPSID
PROTEIN VP1)
PROTEIN
(IMMUNOGLOBULIN
HEAVY CHAIN)

(Foot-and-mouth
disease virus;
Mus musculus) 		no annotation
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY 5 142
TYR A  60
ALA 5 140
ASP 5 143
ARG A  99
 None
 1.39A 2avdB-1qgc5:
undetectable		 2avdB-1qgc5:
9.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLY A  87
TYR A  92
ALA A 140
ASP A 163
ALA A 164
TYR A 172
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
CA  A 305 (-2.5A)
SAH  A 301 ( 3.7A)
None
 0.61A 2avdB-1susA:
29.9		 2avdB-1susA:
34.96
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 GLY A  56
VAL A  11
ALA A  44
ASP A  57
ALA A  42
 None
None
None
EDO  A1219 ( 4.8A)
None
 1.40A 2avdB-1u60A:
undetectable		 2avdB-1u60A:
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.
1vkd CONSERVED
HYPOTHETICAL PROTEIN
TM1225

(Thermotoga
maritima) 		PF04041
(Glyco_hydro_130) 		5 GLY A 301
TYR A 105
ALA A 308
ALA A 302
TYR A 272
 None
 1.32A 2avdB-1vkdA:
undetectable		 2avdB-1vkdA:
19.42
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 GLY B 391
VAL B 382
ALA B 306
ASP B 299
ALA B 302
 None
 1.26A 2avdB-1vraB:
undetectable		 2avdB-1vraB:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1whs SERINE
CARBOXYPEPTIDASE II

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		5 SER A 156
GLY A 144
PHE A 172
TYR A 141
ALA A 148
 None
 1.34A 2avdB-1whsA:
undetectable		 2avdB-1whsA:
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 GLY A 354
VAL A 495
ASP A 351
ALA A 350
TYR A 345
 None
 1.16A 2avdB-1woyA:
undetectable		 2avdB-1woyA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 GLY A 110
PHE A 112
ALA A 163
ALA A 186
TYR A 194
ARG A 212
 SAM  A 501 (-3.4A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.5A)
SAM  A 501 (-3.7A)
None
SAM  A 501 (-4.0A)
 1.27A 2avdB-2avdA:
39.2		 2avdB-2avdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		11 SER A  84
MET A  85
MET A  86
GLY A 110
PHE A 112
TYR A 115
VAL A 135
ALA A 163
ASP A 185
ALA A 186
TYR A 194
 None
SAM  A 501 (-4.6A)
SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.7A)
None
SAM  A 501 (-4.3A)
SAM  A 501 (-3.5A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.7A)
None
 0.66A 2avdB-2avdA:
39.2		 2avdB-2avdA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 PHE A 210
ALA A 237
ASP A 213
ALA A 214
TYR A 419
 IND  A 503 ( 4.4A)
None
None
IND  A 503 ( 3.9A)
None
 1.41A 2avdB-2b24A:
undetectable		 2avdB-2b24A:
20.09
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 MET A 143
PHE A 189
VAL A 166
ALA A 163
ARG A 160
 None
 1.32A 2avdB-2d4eA:
3.6		 2avdB-2d4eA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 GLY A  78
PHE A   5
VAL A  80
ALA A 105
TYR A  42
 None
 1.30A 2avdB-2fewA:
undetectable		 2avdB-2fewA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		8 GLY A  68
PHE A  70
TYR A  73
VAL A  93
ALA A 121
ASP A 154
ALA A 155
TYR A 163
 SAH  A2001 (-3.3A)
SAH  A2001 (-4.4A)
None
SAH  A2001 (-4.1A)
SAH  A2001 (-3.3A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
None
 0.57A 2avdB-2hnkA:
29.9		 2avdB-2hnkA:
35.42
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.
2iou MAJOR TROPISM
DETERMINANT P1

(Bordetella
virus BPP1) 		no annotation 5 SER A 288
GLY A 155
PHE A 293
ALA A 152
ALA A 154
 None
 1.09A 2avdB-2iouA:
undetectable		 2avdB-2iouA:
19.28
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.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  62
VAL A  18
ALA A  52
ASP A 128
ALA A 125
 None
 1.41A 2avdB-2og9A:
undetectable		 2avdB-2og9A:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A   8
VAL A 184
ALA A 230
ASP A  92
ALA A  89
 None
 1.37A 2avdB-2vz9A:
undetectable		 2avdB-2vz9A:
7.03
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.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		5 SER A 395
GLY A 348
VAL A 381
ALA A 371
TYR A 350
 None
 1.19A 2avdB-2w5sA:
undetectable		 2avdB-2w5sA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		5 GLY A 344
VAL A 341
ALA A 364
ALA A 347
ARG A 328
 None
 1.41A 2avdB-2weuA:
undetectable		 2avdB-2weuA:
18.62
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		5 SER A 182
GLY A  75
PHE A 130
ALA A 108
ALA A  77
 None
 1.36A 2avdB-2zdsA:
undetectable		 2avdB-2zdsA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		5 GLY A 177
VAL A 128
ALA A 140
ASP A 133
ALA A 136
 None
 1.37A 2avdB-3bxzA:
2.2		 2avdB-3bxzA:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		7 GLY A  78
PHE A  80
TYR A  83
ALA A 131
ASP A 154
ALA A 155
TYR A 163
 SAH  A 464 (-3.7A)
SAH  A 464 (-4.9A)
None
SAH  A 464 (-3.5A)
CA  A 238 ( 2.2A)
SAH  A 464 (-3.7A)
None
 0.57A 2avdB-3c3yA:
32.2		 2avdB-3c3yA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		7 GLY A  68
PHE A  70
TYR A  73
ALA A 121
ASP A 143
ALA A 144
TYR A 152
 SAH  A 301 (-3.7A)
SAH  A 301 (-4.8A)
None
SAH  A 301 (-3.4A)
MG  A 401 ( 2.7A)
SAH  A 301 (-3.4A)
None
 0.66A 2avdB-3cbgA:
31.1		 2avdB-3cbgA:
39.32
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 SER A 163
GLY A 121
PHE A 125
VAL A 201
ALA A 118
 None
 1.21A 2avdB-3clqA:
undetectable		 2avdB-3clqA:
20.14
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
ALA A 119
ASP A 140
TYR A 149
 None
 0.90A 2avdB-3dulA:
23.6		 2avdB-3dulA:
28.69
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
ASP A 140
ALA A 141
TYR A 149
 None
 1.03A 2avdB-3dulA:
23.6		 2avdB-3dulA:
28.69
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 MET A 382
GLY A 155
ALA A 182
ALA A 158
ARG A 160
 None
 1.39A 2avdB-3e1hA:
undetectable		 2avdB-3e1hA:
20.39
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.
3e4d ESTERASE D

(Agrobacterium
fabrum) 		PF00756
(Esterase) 		5 GLY A 229
PHE A 225
ALA A 175
ASP A 180
ALA A 179
 None
 1.19A 2avdB-3e4dA:
undetectable		 2avdB-3e4dA:
20.83
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 GLY A 610
TYR A 436
VAL A 511
ALA A 616
ASP A 611
 None
FAD  A 750 (-4.3A)
None
None
None
 1.15A 2avdB-3fjoA:
3.1		 2avdB-3fjoA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 SER A  67
MET A  66
GLY A  31
ALA A 358
ALA A  30
 None
 0.97A 2avdB-3foaA:
undetectable		 2avdB-3foaA:
17.16
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 SER A 522
MET A 524
VAL A  99
ALA A  34
ALA A  30
 None
 1.32A 2avdB-3j1cA:
undetectable		 2avdB-3j1cA:
20.35
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 SER U  67
MET U  66
GLY U  31
ALA U 358
ALA U  30
 None
 0.97A 2avdB-3j2nU:
undetectable		 2avdB-3j2nU:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4j TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 GLY A 111
VAL A 250
ALA A 307
ASP A 126
ALA A 112
 None
 1.35A 2avdB-3j4jA:
undetectable		 2avdB-3j4jA:
18.55
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01593
(Amino_oxidase) 		5 GLY A  13
PHE A  11
VAL A 396
ALA A  16
ARG A  18
 None
 1.21A 2avdB-3k7tA:
undetectable		 2avdB-3k7tA:
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 5 GLY A  57
VAL A  92
ALA A  87
ASP A  59
ALA A  60
 None
None
None
GOL  A 233 (-3.3A)
None
 1.36A 2avdB-3m33A:
11.4		 2avdB-3m33A:
25.49
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.
3m9i LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 GLY A  96
PHE A  18
VAL A  67
ALA A 186
ALA A  97
 None
 1.31A 2avdB-3m9iA:
undetectable		 2avdB-3m9iA:
24.02
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 SER A 431
GLY A 476
VAL A 352
ALA A 398
ALA A 408
 None
 1.34A 2avdB-3nlcA:
undetectable		 2avdB-3nlcA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		5 GLY A 173
VAL A 202
ALA A 177
ASP A 168
ALA A 167
 None
 1.17A 2avdB-3qk7A:
2.2		 2avdB-3qk7A:
22.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		6 GLY A  68
TYR A  73
ALA A 121
ASP A 143
ALA A 144
TYR A 152
 None
 0.76A 2avdB-3r3hA:
30.1		 2avdB-3r3hA:
40.24
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.
3rr5 DNA LIGASE

(Thermococcus
sp. 1519) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLY A 309
TYR A 278
ALA A 385
TYR A 261
ARG A 280
 None
None
None
None
MG  A 601 ( 4.4A)
 1.35A 2avdB-3rr5A:
undetectable		 2avdB-3rr5A:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		6 GLY A  69
TYR A  74
ALA A 122
ASP A 141
ALA A 142
TYR A 150
 None
 0.67A 2avdB-3tfwA:
27.0		 2avdB-3tfwA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		8 GLY A  69
PHE A  71
TYR A  74
VAL A  94
ALA A 122
ASP A 144
ALA A 145
TYR A 153
 SAH  A 224 (-3.9A)
SAH  A 224 (-4.8A)
None
SAH  A 224 (-4.7A)
SAH  A 224 (-3.8A)
NI  A 223 ( 2.5A)
SAH  A 224 (-3.5A)
None
 0.45A 2avdB-3tr6A:
32.9		 2avdB-3tr6A:
46.72
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		5 GLY A 388
TYR A 404
VAL A 362
ALA A 229
ALA A  18
 None
 1.13A 2avdB-3vqrA:
2.9		 2avdB-3vqrA:
20.09
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 MET A 279
TYR A 290
VAL A 217
ASP A 329
ARG A 278
 None
None
None
None
ATP  A 701 (-4.3A)
 1.33A 2avdB-3w1gA:
undetectable		 2avdB-3w1gA:
16.26
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 GLY A  29
PHE A  46
VAL A 113
ALA A  42
ALA A 137
 None
 1.31A 2avdB-4am3A:
undetectable		 2avdB-4am3A:
16.90
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.
4b1l LEVANASE

(Bacillus
subtilis) 		PF06439
(DUF1080) 		5 GLY A 573
VAL A 622
ALA A 668
ASP A 665
ALA A 666
 None
 1.19A 2avdB-4b1lA:
undetectable		 2avdB-4b1lA:
17.98
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		5 GLY A 133
TYR A 333
VAL A 137
ALA A 208
ASP A 318
 None
 1.42A 2avdB-4be3A:
undetectable		 2avdB-4be3A:
17.13
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 SER A 694
GLY A 796
VAL A 765
ALA A 797
ARG A 699
 None
None
None
None
NAG  A1974 (-3.8A)
 1.35A 2avdB-4cvuA:
undetectable		 2avdB-4cvuA:
12.66
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 GLY A 733
VAL A 789
ASP A 732
ALA A 736
ARG A 731
 None
 1.31A 2avdB-4fgvA:
undetectable		 2avdB-4fgvA:
12.72
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  45
VAL A   6
ALA A  35
ASP A 116
ALA A 113
 None
 1.42A 2avdB-4h19A:
undetectable		 2avdB-4h19A:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 PHE A 257
VAL A 252
ALA A 355
ASP A 332
ALA A 330
 None
 1.33A 2avdB-4iv6A:
undetectable		 2avdB-4iv6A:
21.66
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A  10
VAL A 187
ALA A 238
ASP A  88
ALA A  85
 None
 1.38A 2avdB-4jb6A:
undetectable		 2avdB-4jb6A:
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 GLY B 217
TYR B 211
ALA B 145
ALA B 220
TYR B 224
 None
 1.38A 2avdB-4l37B:
undetectable		 2avdB-4l37B:
14.76
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 SER A 118
MET A 117
ASP A 108
ALA A 113
ARG A 154
 None
 1.41A 2avdB-4m1zA:
undetectable		 2avdB-4m1zA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 GLY A 585
VAL A 645
ALA A 661
ASP A 596
ALA A 595
 None
 1.41A 2avdB-4m9pA:
undetectable		 2avdB-4m9pA:
20.20
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 GLY A 174
ALA A 179
ASP A 201
ALA A 175
TYR A 205
 None
 1.34A 2avdB-4msoA:
2.8		 2avdB-4msoA:
20.09
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.
4o1i TRANSCRIPTIONAL
REGULATORY PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  57
VAL A  85
ALA A  75
ASP A  53
ALA A  50
 None
 1.39A 2avdB-4o1iA:
3.0		 2avdB-4o1iA:
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
ALA A 117
ASP A 136
ALA A 137
TYR A 145
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
MN  A 303 ( 2.7A)
SAM  A 301 ( 3.9A)
None
 0.44A 2avdB-4pclA:
28.0		 2avdB-4pclA:
24.69
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 MET A  94
VAL A 176
ALA A  81
ALA A  85
ARG A  93
 None
 1.36A 2avdB-4pz2A:
4.8		 2avdB-4pz2A:
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.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 SER A 283
PHE A 149
VAL A 134
ALA A 303
ASP A 276
 None
None
None
VOR  A 590 ( 4.4A)
None
 1.25A 2avdB-4uymA:
undetectable		 2avdB-4uymA:
19.26
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 MET A 249
GLY A 268
VAL A 239
ALA A 166
TYR A 289
 None
 1.35A 2avdB-4wzzA:
undetectable		 2avdB-4wzzA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 MET A 431
GLY A 336
ALA A 372
ALA A 338
ARG A 430
 None
None
None
None
TMP  A 503 (-3.2A)
 1.37A 2avdB-4xr9A:
4.7		 2avdB-4xr9A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		7 MET A  48
GLY A  73
TYR A  78
ALA A 127
ASP A 144
ALA A 145
TYR A 153
 SAM  A1001 (-4.8A)
SAM  A1001 (-3.3A)
None
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
None
 0.83A 2avdB-4ymgA:
24.6		 2avdB-4ymgA:
27.86
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 PHE A 305
VAL A 291
ALA A 336
ASP A 339
ALA A 338
 None
 1.39A 2avdB-4yyfA:
undetectable		 2avdB-4yyfA:
21.73
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 307
GLY A 145
PHE A 305
ALA A 177
TYR A 196
 None
 1.27A 2avdB-4zasA:
undetectable		 2avdB-4zasA:
21.89
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.
4zow MULTIDRUG
TRANSPORTER MDFA

(Escherichia
coli) 		PF07690
(MFS_1) 		5 MET A  85
GLY A 187
PHE A 185
ALA A 191
ARG A  82
 None
 1.24A 2avdB-4zowA:
undetectable		 2avdB-4zowA:
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.
5a65 THIAMINE
TRIPHOSPHATASE

(Mus musculus) 		PF01928
(CYTH) 		5 SER A 127
GLY A 156
ALA A 190
ASP A 147
ARG A 125
 None
None
None
None
PO4  A1001 (-3.0A)
 1.36A 2avdB-5a65A:
undetectable		 2avdB-5a65A:
23.55
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 GLY A 244
VAL A  25
ALA A  37
ALA A 240
TYR A  38
 None
 1.41A 2avdB-5ey9A:
undetectable		 2avdB-5ey9A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5grv HOMO-SPECIFIC
DIABODY LIGHT CHAIN
HOMO-SPECIFIC
DIABODY HEAVY CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY L 103
ALA K 158
ASP L 106
ALA L 104
TYR K 160
 None
 1.15A 2avdB-5grvL:
undetectable		 2avdB-5grvL:
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 444
VAL A 435
ASP A 346
ALA A 445
TYR A 470
 None
 1.33A 2avdB-5i1wA:
undetectable		 2avdB-5i1wA:
19.80
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 MET A 416
GLY A 400
PHE A 401
TYR A 316
VAL A 329
 None
 1.38A 2avdB-5i68A:
undetectable		 2avdB-5i68A:
16.41
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.
5idb NATTERIN-3

(Crassostrea
gigas) 		no annotation 5 GLY B  42
TYR B 100
ALA B  51
ALA B  31
TYR B  65
 None
 1.10A 2avdB-5idbB:
undetectable		 2avdB-5idbB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 GLY A 177
VAL A 128
ALA A 140
ASP A 133
ALA A 136
 None
 1.36A 2avdB-5k9tA:
undetectable		 2avdB-5k9tA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLY A 101
TYR A 106
ALA A 154
ASP A 177
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
CA  A 302 ( 2.2A)
SAM  A 301 (-3.7A)
None
 0.71A 2avdB-5kvaA:
30.8		 2avdB-5kvaA:
33.33
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.
5l0w SEC72

(Chaetomium
thermophilum) 		no annotation 5 GLY B  93
ALA B 132
ASP B  94
ALA B  95
TYR B  99
 None
 1.40A 2avdB-5l0wB:
undetectable		 2avdB-5l0wB:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l0y SEC72-SSA1
C-TERMINAL PEPTIDE
FUSION PROTEIN

(Saccharomyces
cerevisiae;
Chaetomium
thermophilum) 		no annotation 5 GLY A  93
ALA A 132
ASP A  94
ALA A  95
TYR A  99
 None
 1.41A 2avdB-5l0yA:
undetectable		 2avdB-5l0yA:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		7 GLY A  67
PHE A  69
TYR A  72
ALA A 120
ASP A 142
ALA A 143
TYR A 151
 SAH  A1001 (-3.5A)
None
None
SAH  A1001 (-3.4A)
MG  A1002 (-2.5A)
SAH  A1001 (-3.7A)
None
 0.56A 2avdB-5logA:
33.0		 2avdB-5logA:
41.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mt2 BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 358
TYR A  79
ALA A 360
ALA A 350
TYR A 327
 None
 1.37A 2avdB-5mt2A:
undetectable		 2avdB-5mt2A:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		7 GLY A  65
PHE A  67
TYR A  70
ALA A 118
ASP A 139
ALA A 140
TYR A 148
 SAM  A 306 (-3.2A)
SAM  A 306 (-4.2A)
None
SAM  A 306 (-3.5A)
SAM  A 306 (-2.3A)
SAM  A 306 (-3.6A)
None
 0.56A 2avdB-5n5dA:
28.0		 2avdB-5n5dA:
34.60
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.
5nnp N-TERMINAL
ACETYLTRANSFERASE-LI
KE PROTEIN

(Chaetomium
thermophilum) 		PF12569
(NARP1)
PF13432
(TPR_16) 		5 GLY A 201
ASP A 202
ALA A 198
TYR A 230
ARG A 205
 None
None
None
None
GOL  A 804 (-3.9A)
 1.36A 2avdB-5nnpA:
undetectable		 2avdB-5nnpA:
16.41
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 GLY A 360
ALA A 302
ASP A 265
ALA A 266
ARG A 311
 MG  A 403 (-4.5A)
None
None
None
None
 1.41A 2avdB-5t13A:
undetectable		 2avdB-5t13A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3y TWO-COMPONENT SYSTEM
RESPONSE REGULATOR

(Burkholderia
multivorans) 		PF00072
(Response_reg) 		5 GLY A  38
TYR A  74
ALA A  33
ASP A  40
ALA A  37
 None
 1.38A 2avdB-5t3yA:
undetectable		 2avdB-5t3yA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  66
ALA A 120
ASP A 138
ALA A 139
TYR A 147
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.5A)
None
 0.46A 2avdB-5x7fA:
27.7		 2avdB-5x7fA:
30.33
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 SER A 410
MET A 240
GLY A 405
TYR A 167
ALA A 406
 None
 1.22A 2avdB-5xbpA:
undetectable		 2avdB-5xbpA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 GLY A 375
VAL A 438
ALA A 373
ALA A 377
TYR A 204
 None
 1.23A 2avdB-5xviA:
undetectable		 2avdB-5xviA:
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 PHE A 101
VAL A 438
ALA A 373
ALA A 377
TYR A 204
 None
 1.33A 2avdB-5xviA:
undetectable		 2avdB-5xviA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 MET A  38
GLY A  62
TYR A  67
ALA A 114
ASP A 133
ALA A 134
 None
SAM  A 302 (-3.4A)
None
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.4A)
 0.94A 2avdB-5zw4A:
24.5		 2avdB-5zw4A:
28.24
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 GLY A 266
VAL A 236
ALA A 259
ALA A 268
ARG A 306
 None
 1.42A 2avdB-6aunA:
undetectable		 2avdB-6aunA:
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.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		5 GLY A 240
PHE A 262
ALA A  67
ASP A 260
ALA A 239
 None
None
SEE  A  68 ( 2.7A)
None
None
 1.16A 2avdB-6aziA:
undetectable		 2avdB-6aziA:
21.36
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 GLY A 557
PHE A 607
TYR A 570
ASP A 558
ARG A 572
 None
None
None
EDO  A 802 (-3.6A)
None
 1.38A 2avdB-6b6lA:
undetectable		 2avdB-6b6lA:
14.03
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 GLY A  88
ALA A  86
ASP A  89
ALA A  90
TYR A 499
 None
 1.11A 2avdB-6byxA:
undetectable		 2avdB-6byxA:
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.
6h25 -

(-) 		no annotation 5 GLY D  43
VAL D 118
ALA D  56
ASP D 143
ALA D 140
 None
 1.23A 2avdB-6h25D:
undetectable		 2avdB-6h25D:
undetectable