SIMILAR PATTERNS OF AMINO ACIDS FOR 4XPB_A_COCA702

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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		5 VAL A  23
GLY A  43
PHE A  35
SER A  16
GLY A  13
 None
 1.42A 4xpbA-1hxhA:
1.4		 4xpbA-1hxhA:
19.89
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.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		5 PHE A 203
ASP A 171
VAL A 188
TYR A 169
PHE A 224
 None
 1.18A 4xpbA-1nq6A:
undetectable		 4xpbA-1nq6A:
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		5 TYR A  27
GLY A 165
PHE A  19
GLY A 145
MET A 146
 None
 1.08A 4xpbA-1q56A:
undetectable		 4xpbA-1q56A:
17.54
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.
1r44 D-ALANYL-D-ALANINE
DIPEPTIDASE

(Enterococcus
faecium) 		PF01427
(Peptidase_M15) 		5 ASP A 142
VAL A  32
TYR A  35
TYR A  21
GLY A  29
 None
 1.39A 4xpbA-1r44A:
undetectable		 4xpbA-1r44A:
16.83
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.
1snn 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00926
(DHBP_synthase) 		5 ASP A  23
TYR A 210
TYR A  20
SER A  22
GLY A 213
 None
 1.44A 4xpbA-1snnA:
undetectable		 4xpbA-1snnA:
17.88
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ASP A 158
VAL A   9
TYR A 126
SER A 128
GLY A  11
 ACP  A 401 (-3.4A)
None
None
None
None
 1.50A 4xpbA-1tz6A:
0.0		 4xpbA-1tz6A:
20.90
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 PHE A 400
ASP A 335
GLY A 339
PHE A 342
SER A 238
 None
None
None
EDO  A1902 (-4.3A)
None
 1.30A 4xpbA-1ukcA:
0.0		 4xpbA-1ukcA:
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.
1v0m ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
lividans) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 225
 None
 1.21A 4xpbA-1v0mA:
0.0		 4xpbA-1v0mA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 225
 None
 1.20A 4xpbA-1v6uA:
0.0		 4xpbA-1v6uA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 224
 None
 1.22A 4xpbA-1v6yA:
undetectable		 4xpbA-1v6yA:
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.
1vr4 HYPOTHETICAL PROTEIN
APC22750

(Bacillus cereus) 		PF01906
(YbjQ_1) 		5 ASP A  81
VAL A  94
TYR A  84
SER A  97
GLY A  23
 None
 1.46A 4xpbA-1vr4A:
undetectable		 4xpbA-1vr4A:
11.09
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.
1y2i HYPOTHETICAL PROTEIN
S0862

(Shigella
flexneri) 		PF01906
(YbjQ_1) 		5 ASP A  81
TYR A  84
PHE A  62
SER A  99
GLY A  23
 None
 1.21A 4xpbA-1y2iA:
undetectable		 4xpbA-1y2iA:
12.64
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 152
VAL A 350
TYR A  46
GLY A  95
GLY A 161
 None
 1.31A 4xpbA-1yqdA:
0.0		 4xpbA-1yqdA:
21.88
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A   8
VAL A  65
TYR A  68
SER A  49
GLY A  82
 None
 1.01A 4xpbA-2a9vA:
undetectable		 4xpbA-2a9vA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		5 PHE A 198
TYR A 248
GLY A 277
SER A 197
GLY A 199
 None
 1.31A 4xpbA-2c1cA:
0.4		 4xpbA-2c1cA:
20.84
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.
2g6y GREEN FLUORESCENT
PROTEIN 2

(Pontellina
plumata) 		PF01353
(GFP) 		5 VAL A 110
TYR A 105
TYR A 103
GLY A  64
PHE A  63
 None
None
CR2  A  58 ( 4.5A)
None
None
 1.46A 4xpbA-2g6yA:
undetectable		 4xpbA-2g6yA:
18.11
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		5 VAL A  75
TYR A  89
SER A  22
GLY A  24
MET A  17
 None
None
EDO  A1005 (-2.6A)
None
None
 1.40A 4xpbA-2pvzA:
undetectable		 4xpbA-2pvzA:
22.59
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.
2vhq NTPASE P4

(Pseudomonas
phage phi12) 		PF11602
(NTPase_P4) 		5 ASP A 213
GLY A  97
SER A 216
GLY A 219
MET A 125
 None
 1.25A 4xpbA-2vhqA:
undetectable		 4xpbA-2vhqA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 VAL A 331
TYR A 380
GLY A 315
SER A 360
GLY A 363
 None
 1.43A 4xpbA-2wanA:
undetectable		 4xpbA-2wanA:
20.19
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 VAL A 372
GLY A 376
PHE A 374
SER A 334
GLY A 317
 None
GOL  A 505 ( 4.1A)
None
None
None
 1.20A 4xpbA-3cz8A:
undetectable		 4xpbA-3cz8A:
20.73
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.
3ec2 DNA REPLICATION
PROTEIN DNAC

(Aquifex
aeolicus) 		PF01695
(IstB_IS21) 		5 ASP A 198
TYR A 212
GLY A 151
SER A 201
GLY A 204
 None
 1.20A 4xpbA-3ec2A:
undetectable		 4xpbA-3ec2A:
15.41
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 PHE A 207
TYR A 565
GLY A 209
GLY A 568
MET A 569
 None
 1.31A 4xpbA-3eqnA:
undetectable		 4xpbA-3eqnA:
20.76
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.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 ASP A 218
VAL A 254
TYR A 251
SER A 222
GLY A 224
 None
 1.34A 4xpbA-3fysA:
undetectable		 4xpbA-3fysA:
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ASP B 364
VAL B 409
PHE B 235
SER B 352
GLY B 347
 None
 1.29A 4xpbA-3hhsB:
0.7		 4xpbA-3hhsB:
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.
3ite SIDN SIDEROPHORE
SYNTHETASE

(Epichloe
festucae) 		PF00501
(AMP-binding) 		5 PHE A 198
TYR A 174
GLY A 329
GLY A 235
MET A 237
 None
 1.19A 4xpbA-3iteA:
undetectable		 4xpbA-3iteA:
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.
3k7n K-LIKE

(Naja atra) 		PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 PHE A 527
TYR A 549
GLY A 566
SER A 526
GLY A 546
 None
 1.30A 4xpbA-3k7nA:
undetectable		 4xpbA-3k7nA:
19.89
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 ASP A 256
VAL A 316
GLY A 163
SER A 257
MET A 262
 None
None
PGE  A 698 (-4.4A)
None
LBP  A 693 (-3.6A)
 1.40A 4xpbA-3lvvA:
undetectable		 4xpbA-3lvvA:
20.67
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		5 ASP A 167
GLY A 270
SER A  36
GLY A  29
MET A  28
 None
 1.46A 4xpbA-3lwuA:
1.9		 4xpbA-3lwuA:
23.43
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.50A 4xpbA-3mpnA:
37.5		 4xpbA-3mpnA:
29.29
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ASP A  35
VAL A 252
GLY A  38
SER A 287
GLY A 248
 None
 1.37A 4xpbA-3q1yA:
undetectable		 4xpbA-3q1yA:
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.
3q64 MLL3774 PROTEIN

(Mesorhizobium
loti) 		PF08327
(AHSA1) 		5 PHE A 125
TYR A  88
TYR A  90
SER A 100
GLY A 123
 None
 1.30A 4xpbA-3q64A:
undetectable		 4xpbA-3q64A:
14.97
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 165
VAL A 135
TYR A 139
SER A 163
GLY A 126
 None
 1.32A 4xpbA-3thuA:
undetectable		 4xpbA-3thuA:
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.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		5 ASP A 312
GLY A 318
SER A 328
GLY A 374
MET A 373
 None
 1.24A 4xpbA-3u2hA:
undetectable		 4xpbA-3u2hA:
18.03
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.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		5 GLY A 318
PHE A 319
SER A 328
GLY A 374
MET A 373
 None
 1.41A 4xpbA-3u2hA:
undetectable		 4xpbA-3u2hA:
18.03
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.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 VAL A 420
GLY A 256
PHE A 259
SER A 261
GLY A 200
 None
 1.50A 4xpbA-3vxcA:
undetectable		 4xpbA-3vxcA:
22.13
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.
3wcu A2 GLOBIN CHAIN OF
GIANT V2 HEMOGLOBIN

(Lamellibrachia
satsuma) 		PF00042
(Globin) 		5 ASP B  72
VAL B 112
GLY B  20
PHE B  28
GLY B  29
 None
 1.33A 4xpbA-3wcuB:
undetectable		 4xpbA-3wcuB:
16.08
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 200
TYR A 322
TYR A 353
PHE A 328
SER A 198
 ZN  A1002 ( 2.1A)
None
None
None
None
 1.47A 4xpbA-4b56A:
undetectable		 4xpbA-4b56A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 320
TYR A 158
GLY A 297
SER A 291
GLY A 322
 None
FAD  A 501 (-4.9A)
None
None
None
 1.47A 4xpbA-4emwA:
undetectable		 4xpbA-4emwA:
20.76
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 PHE A 161
VAL A 116
GLY A 186
PHE A 157
GLY A 158
 None
 1.17A 4xpbA-4q0gA:
2.5		 4xpbA-4q0gA:
22.75
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 PHE A 369
VAL A  62
GLY A 345
SER A 183
GLY A  57
 ICS  A 602 (-4.2A)
None
ICS  A 602 (-3.7A)
None
None
 1.39A 4xpbA-4wn9A:
undetectable		 4xpbA-4wn9A:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 PHE A  43
ASP A  46
GLY A 322
PHE A 325
SER A 421
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
 0.85A 4xpbA-4xnuA:
61.8		 4xpbA-4xnuA:
99.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 PHE A  43
ASP A  46
TYR A 124
GLY A 322
SER A 421
GLY A 424
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
None
 0.93A 4xpbA-4xnuA:
61.8		 4xpbA-4xnuA:
99.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		8 PHE A  43
ASP A  46
VAL A 120
TYR A 123
TYR A 124
GLY A 322
SER A 421
GLY A 425
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.36A 4xpbA-4xnuA:
61.8		 4xpbA-4xnuA:
99.06
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.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN

(Toxoplasma
gondii) 		PF02430
(AMA-1)
PF07974
(EGF_2) 		5 ASP A 350
VAL A 452
TYR A 109
GLY A 445
GLY A 107
 None
 1.30A 4xpbA-4z81A:
undetectable		 4xpbA-4z81A:
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASP A 208
TYR A 347
TYR A 300
GLY A 601
PHE A 597
 None
 1.39A 4xpbA-4zr5A:
undetectable		 4xpbA-4zr5A:
21.50
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 PHE A 307
VAL A 405
GLY A 370
GLY A 303
MET A 302
 None
 1.41A 4xpbA-5a2rA:
0.0		 4xpbA-5a2rA:
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 147
TYR A 269
TYR A 300
PHE A 275
SER A 145
 ZN  A 902 (-1.8A)
None
None
None
None
 1.45A 4xpbA-5gz4A:
undetectable		 4xpbA-5gz4A:
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.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 ASP A 624
GLY A 656
PHE A 631
SER A 626
GLY A 629
 None
 1.03A 4xpbA-5hamA:
undetectable		 4xpbA-5hamA:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		6 ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 438
GLY A 442
 None
 0.43A 4xpbA-5i6zA:
53.1		 4xpbA-5i6zA:
53.68
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.
5iqn PROTEIN FIMG

(Escherichia
coli) 		no annotation 5 PHE A  65
VAL A  61
TYR A 143
PHE A 115
SER A  64
 None
 1.44A 4xpbA-5iqnA:
undetectable		 4xpbA-5iqnA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0k BETA-XYLANASE

(Cellulomonas
flavigena) 		no annotation 5 PHE A 203
ASP A 171
VAL A 188
TYR A 169
PHE A 222
 None
 1.18A 4xpbA-5m0kA:
undetectable		 4xpbA-5m0kA:
9.76
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASP A 364
GLY A 369
PHE A 389
SER A 399
GLY A 397
 None
 1.33A 4xpbA-5n4lA:
undetectable		 4xpbA-5n4lA:
10.98
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.
5njf METALLOPROTEASE PMBA
METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		5 VAL A 396
GLY A 392
PHE A 405
GLY B 378
MET B 377
 None
 1.38A 4xpbA-5njfA:
undetectable		 4xpbA-5njfA:
21.68
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.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL

(Homo sapiens) 		PF07147
(PDCD9) 		5 PHE 5 354
VAL 5 181
TYR 5 292
PHE 5 352
GLY 5 346
 None
 1.40A 4xpbA-5ool5:
undetectable		 4xpbA-5ool5:
21.38
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.
5ore OCTOPINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 ASP A 134
TYR A 171
GLY A 231
PHE A 230
SER A 132
 None
 1.41A 4xpbA-5oreA:
undetectable		 4xpbA-5oreA:
9.24
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 ASP A 392
VAL A  29
TYR A  24
GLY A 187
GLY A 376
 None
 1.43A 4xpbA-5tkyA:
2.2		 4xpbA-5tkyA:
21.81
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		5 PHE A 183
ASP A 134
GLY A  52
SER A 132
GLY A 179
 None
 1.37A 4xpbA-5visA:
0.9		 4xpbA-5visA:
21.72
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		5 PHE A 183
ASP A 134
TYR A 146
SER A 132
GLY A 179
 None
 1.48A 4xpbA-5visA:
0.9		 4xpbA-5visA:
21.72
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.
5wuf PUTATIVE MEMBRANE
PROTEIN

(Colwellia
psychrerythraea) 		PF03458
(UPF0126) 		5 PHE A 102
TYR A 151
GLY A  12
PHE A  16
GLY A  45
 None
 1.39A 4xpbA-5wufA:
undetectable		 4xpbA-5wufA:
19.31
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 ASP A 253
VAL A 302
GLY A 216
PHE A 227
SER A 222
 None
 1.44A 4xpbA-6bq6A:
undetectable		 4xpbA-6bq6A:
9.23
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 TYR A 471
GLY A 228
PHE A 281
SER A 310
GLY A 307
 None
 1.43A 4xpbA-6bszA:
undetectable		 4xpbA-6bszA:
11.01
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 ASP A 167
TYR A 289
TYR A 320
PHE A 295
SER A 165
 ZN  A 902 (-2.0A)
None
None
None
None
 1.41A 4xpbA-6c01A:
undetectable		 4xpbA-6c01A:
9.57
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 PHE A 734
VAL A 643
TYR A 644
GLY A 698
GLY A 733
 None
 1.15A 4xpbA-6eoqA:
undetectable		 4xpbA-6eoqA:
8.35