SIMILAR PATTERNS OF AMINO ACIDS FOR 2PYM_A_1UNA1001_3

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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		3 ASP A 201
ASN A 188
THR A 219
 None
 0.68A 2pymB-1attA:
0.0		 2pymB-1attA:
12.92
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.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)

(Clostridium
pasteurianum) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		3 ASP A  25
ASN A  26
THR A  74
 None
 0.53A 2pymB-1fehA:
0.0		 2pymB-1fehA:
11.05
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.
1fo0 PROTEIN (BM3.3 T
CELL RECEPTOR
BETA-CHAIN)

(Mus musculus) 		PF07686
(V-set) 		3 ASP B  97
ASN B 103
THR B  93
 None
 0.72A 2pymB-1fo0B:
0.0		 2pymB-1fo0B:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		3 ASP A 125
ASN A 258
THR A  87
 None
 0.69A 2pymB-1gy9A:
0.0		 2pymB-1gy9A:
17.20
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ASP A 403
ASN A 401
THR A 372
 None
 0.66A 2pymB-1h17A:
0.0		 2pymB-1h17A:
10.01
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.
1h75 GLUTAREDOXIN-LIKE
PROTEIN NRDH

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		3 ASP A  34
ASN A  32
THR A   4
 None
 0.70A 2pymB-1h75A:
undetectable		 2pymB-1h75A:
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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 ASP A 555
ASN A 557
THR A 529
 None
 0.65A 2pymB-1n76A:
0.0		 2pymB-1n76A:
10.03
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		3 ASP A 223
ASN A 222
THR A 213
 None
 0.74A 2pymB-1q47A:
0.0		 2pymB-1q47A:
13.40
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		3 ASP A1403
ASN A1401
THR A1372
 None
 0.63A 2pymB-1qhmA:
0.0		 2pymB-1qhmA:
12.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 ASP A 179
ASN A 176
THR A 189
 None
 0.72A 2pymB-1qhoA:
undetectable		 2pymB-1qhoA:
10.00
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 ASP A 156
ASN A 247
THR A 255
 None
 0.70A 2pymB-1ry2A:
undetectable		 2pymB-1ry2A:
10.38
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		3 ASP A 153
ASN A 182
THR A 214
 None
 0.72A 2pymB-1t9hA:
undetectable		 2pymB-1t9hA:
15.36
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.
1txu RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo sapiens) 		PF02204
(VPS9) 		3 ASP A 260
ASN A 258
THR A 318
 ASP  A 260 ( 0.5A)
ASN  A 258 ( 0.6A)
THR  A 318 ( 0.8A)
 0.70A 2pymB-1txuA:
undetectable		 2pymB-1txuA:
18.08
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.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		3 ASP A   3
ASN A   4
THR A  17
 None
 0.63A 2pymB-1uunA:
undetectable		 2pymB-1uunA:
17.49
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		3 ASP A 330
ASN A 331
THR A 222
 None
 0.70A 2pymB-1wb0A:
undetectable		 2pymB-1wb0A:
12.41
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.
1yk4 RUBREDOXIN

(Pyrococcus
abyssi) 		PF00301
(Rubredoxin) 		3 ASP A  21
ASN A  22
THR A  28
 None
 0.76A 2pymB-1yk4A:
undetectable		 2pymB-1yk4A:
17.02
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.
1z2k NATURAL KILLER CELL
RECEPTOR 2B4

(Mus musculus) 		PF11465
(Receptor_2B4) 		3 ASP A  52
ASN A  51
THR A  92
 None
 0.66A 2pymB-1z2kA:
undetectable		 2pymB-1z2kA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 ASP A1484
ASN A1482
THR A1268
 None
 0.73A 2pymB-2b39A:
undetectable		 2pymB-2b39A:
4.75
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.
2ew1 RAS-RELATED PROTEIN
RAB-30

(Homo sapiens) 		PF00071
(Ras) 		3 ASP A 156
ASN A 157
THR A  87
 None
 0.74A 2pymB-2ew1A:
undetectable		 2pymB-2ew1A:
18.09
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		3 ASP A  46
ASN A  47
THR A   8
 None
 0.61A 2pymB-2f6kA:
undetectable		 2pymB-2f6kA:
17.45
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.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF06026
(Rib_5-P_isom_A) 		3 ASP A 176
ASN A 177
THR A 142
 None
 0.46A 2pymB-2f8mA:
undetectable		 2pymB-2f8mA:
17.84
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.
2kkd RUBREDOXIN

(Desulfovibrio
vulgaris) 		PF00301
(Rubredoxin) 		3 ASP A  21
ASN A  22
THR A  28
 None
 0.73A 2pymB-2kkdA:
undetectable		 2pymB-2kkdA:
15.69
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.
2rdg SUPERANTIGEN-LIKE
PROTEIN 11

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		3 ASP A  79
ASN A  80
THR A  45
 None
 0.74A 2pymB-2rdgA:
undetectable		 2pymB-2rdgA:
18.81
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		3 ASP A   3
ASN A   4
THR A  17
 ASP  A   3 ( 0.6A)
ASN  A   4 ( 0.6A)
THR  A  17 ( 0.8A)
 0.60A 2pymB-2v9uA:
undetectable		 2pymB-2v9uA:
21.32
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		3 ASP A 701
ASN A 700
THR A 595
 None
 0.54A 2pymB-2vsaA:
undetectable		 2pymB-2vsaA:
8.03
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.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 ASP A 117
ASN A 114
THR A 262
 None
 0.72A 2pymB-2w2iA:
undetectable		 2pymB-2w2iA:
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.
2wiu HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HIPB

(Escherichia
coli) 		PF01381
(HTH_3) 		3 ASP B  50
ASN B  51
THR B  41
 None
 0.65A 2pymB-2wiuB:
undetectable		 2pymB-2wiuB:
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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		3 ASP A 533
ASN A 582
THR A 563
 None
 0.76A 2pymB-2wmhA:
undetectable		 2pymB-2wmhA:
9.50
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.
2wrz L-ARABINOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00532
(Peripla_BP_1) 		3 ASP A  89
ASN A  90
THR A  46
 None
 0.72A 2pymB-2wrzA:
undetectable		 2pymB-2wrzA:
17.51
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		3 ASP A 427
ASN A 424
THR A 417
 None
 0.69A 2pymB-2xheA:
undetectable		 2pymB-2xheA:
9.08
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 ASP A 465
ASN A 466
THR A 686
 None
 0.75A 2pymB-2xvgA:
undetectable		 2pymB-2xvgA:
7.50
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		3 ASP A  30
ASN A  31
THR A 215
 None
 0.52A 2pymB-2y35A:
undetectable		 2pymB-2y35A:
7.35
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 3 ASP A 237
ASN A 208
THR A 216
 None
 0.74A 2pymB-2zuxA:
undetectable		 2pymB-2zuxA:
9.89
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		3 ASP B  15
ASN B  14
THR B 128
 None
 0.59A 2pymB-3a0hB:
undetectable		 2pymB-3a0hB:
12.83
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		3 ASP A 120
ASN A 118
THR A 245
 None
 0.66A 2pymB-3a3cA:
undetectable		 2pymB-3a3cA:
13.44
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		3 ASP A  27
ASN A  25
THR A 287
 None
 0.65A 2pymB-3a52A:
undetectable		 2pymB-3a52A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayn RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		3 ASP A  80
ASN A  52
THR A  60
 None
None
PLM  A1001 ( 4.6A)
 0.59A 2pymB-3aynA:
undetectable		 2pymB-3aynA:
17.86
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		3 ASP A 363
ASN A 365
THR A 358
 None
 0.75A 2pymB-3egjA:
undetectable		 2pymB-3egjA:
14.33
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		3 ASP B 162
ASN B 163
THR B 399
 None
 0.67A 2pymB-3egwB:
undetectable		 2pymB-3egwB:
12.08
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 ASP A1092
ASN A1093
THR A1083
 None
 0.68A 2pymB-3f2bA:
undetectable		 2pymB-3f2bA:
7.02
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		3 ASP A 438
ASN A 439
THR A 413
 None
 0.59A 2pymB-3foaA:
undetectable		 2pymB-3foaA:
10.87
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.
3fqd 5'-3'
EXORIBONUCLEASE 2

(Schizosaccharomyces
pombe) 		PF03159
(XRN_N) 		3 ASP A  50
ASN A  51
THR A 245
 None
 0.55A 2pymB-3fqdA:
undetectable		 2pymB-3fqdA:
8.33
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.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		3 ASP A 115
ASN A 119
THR A  10
 None
 0.68A 2pymB-3gk3A:
undetectable		 2pymB-3gk3A:
15.56
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		3 ASP A  43
ASN A  46
THR A 286
 None
 0.73A 2pymB-3in1A:
undetectable		 2pymB-3in1A:
13.58
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		3 ASP U 438
ASN U 439
THR U 413
 None
 0.59A 2pymB-3j2nU:
undetectable		 2pymB-3j2nU:
9.26
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		3 ASP A 236
ASN A 237
THR A 180
 None
 0.58A 2pymB-3jbhA:
undetectable		 2pymB-3jbhA:
3.75
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		3 ASP A 407
ASN A  51
THR A 105
 None
 0.75A 2pymB-3jtyA:
undetectable		 2pymB-3jtyA:
15.73
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		3 ASP A  31
ASN A  29
THR A 191
 None
 0.70A 2pymB-3m1tA:
undetectable		 2pymB-3m1tA:
14.91
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.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 ASP A 452
ASN A 453
THR A 319
 None
 0.69A 2pymB-3ng0A:
undetectable		 2pymB-3ng0A:
11.88
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.
3oam 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Vibrio cholerae) 		PF02348
(CTP_transf_3) 		3 ASP A 165
ASN A 166
THR A 159
 None
 0.63A 2pymB-3oamA:
undetectable		 2pymB-3oamA:
18.37
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		3 ASP A  30
ASN A  31
THR A 216
 None
 0.63A 2pymB-3pieA:
undetectable		 2pymB-3pieA:
6.18
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.
3suk CERATO-PLATANIN-LIKE
PROTEIN

(Moniliophthora
perniciosa) 		PF07249
(Cerato-platanin) 		3 ASP A  28
ASN A  29
THR A  36
 None
 0.71A 2pymB-3sukA:
2.1		 2pymB-3sukA:
17.60
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		3 ASP A 165
ASN A 119
THR A 114
 None
 0.75A 2pymB-3td9A:
undetectable		 2pymB-3td9A:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
ASN A  30
THR A  80
 None
 0.49A 2pymB-3uhlA:
16.3		 2pymB-3uhlA:
78.79
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.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		3 ASP A 118
ASN A 120
THR A 278
 None
None
0GV  A 602 ( 4.3A)
 0.68A 2pymB-3v8dA:
undetectable		 2pymB-3v8dA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 3 ASP A 276
ASN A 277
THR A  96
 None
 0.68A 2pymB-3wdyA:
undetectable		 2pymB-3wdyA:
15.81
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ASP A 172
ASN A 170
THR A 167
 None
None
NAG  A 609 (-3.4A)
 0.74A 2pymB-3wheA:
undetectable		 2pymB-3wheA:
12.20
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD3

(Schizosaccharomyces
pombe) 		PF08311
(Mad3_BUB1_I) 		3 ASP C  84
ASN C  85
THR C  91
 None
 0.58A 2pymB-4aezC:
undetectable		 2pymB-4aezC:
17.24
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.
4ar6 RUBREDOXIN

(Pyrococcus
furiosus) 		PF00301
(Rubredoxin) 		3 ASP A  20
ASN A  21
THR A  27
 None
 0.70A 2pymB-4ar6A:
undetectable		 2pymB-4ar6A:
19.23
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.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 ASP A 211
ASN A 209
THR A 271
 None
 0.53A 2pymB-4beqA:
undetectable		 2pymB-4beqA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		3 ASP A 207
ASN A 178
THR A 186
 None
 0.74A 2pymB-4cagA:
undetectable		 2pymB-4cagA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egc MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HOMEOBOX PROTEIN
SIX1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		PF00046
(Homeobox)
PF13416
(SBP_bac_8)
PF16878
(SIX1_SD) 		3 ASP A 120
ASN A 118
THR A 245
 None
 0.70A 2pymB-4egcA:
undetectable		 2pymB-4egcA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 3 ASP B 163
ASN B 162
THR B  41
 None
SO4  B 402 (-3.0A)
None
 0.74A 2pymB-4fmsB:
undetectable		 2pymB-4fmsB:
13.84
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 ASP A 120
ASN A 117
THR A 265
 None
 0.74A 2pymB-4hooA:
undetectable		 2pymB-4hooA:
16.20
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		3 ASP A 113
ASN A 117
THR A   8
 None
 0.70A 2pymB-4iivA:
undetectable		 2pymB-4iivA:
17.05
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		3 ASP A 121
ASN A 119
THR A 246
 None
None
MLI  A 502 ( 4.9A)
 0.72A 2pymB-4irlA:
undetectable		 2pymB-4irlA:
12.99
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		3 ASP A 372
ASN A 354
THR A 332
 None
 0.71A 2pymB-4jcmA:
undetectable		 2pymB-4jcmA:
12.09
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.
4jtv HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ASP A  41
ASN A 300
THR A 305
 None
 0.74A 2pymB-4jtvA:
undetectable		 2pymB-4jtvA:
15.79
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.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		3 ASP A 163
ASN A 164
THR A 147
 None
 0.69A 2pymB-4k2aA:
undetectable		 2pymB-4k2aA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8q COATOMER SUBUNIT
DELTA

(Bos taurus) 		PF00928
(Adap_comp_sub) 		3 ASP A 321
ASN A 319
THR A 484
 None
 0.56A 2pymB-4o8qA:
undetectable		 2pymB-4o8qA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		3 ASP A 237
ASN A 238
THR A 149
 None
 0.65A 2pymB-4onzA:
undetectable		 2pymB-4onzA:
15.45
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		3 ASP A 330
ASN A 289
THR A 247
 TRS  A 602 (-2.7A)
None
None
 0.74A 2pymB-4rmlA:
undetectable		 2pymB-4rmlA:
14.64
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.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		3 ASP A  84
ASN A  85
THR A 236
 None
 0.29A 2pymB-4w6vA:
undetectable		 2pymB-4w6vA:
10.60
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 423
ASN A 420
THR A 448
 None
 0.56A 2pymB-4w7sA:
undetectable		 2pymB-4w7sA:
15.35
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		3 ASP A  80
ASN A  52
THR A  60
 None
None
PLM  A 402 ( 4.2A)
 0.60A 2pymB-4ww3A:
undetectable		 2pymB-4ww3A:
17.86
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		3 ASP E 103
ASN E 100
THR E  76
 None
 0.75A 2pymB-4xgcE:
undetectable		 2pymB-4xgcE:
13.69
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens) 		PF04189
(Gcd10p) 		3 ASP B  55
ASN B  56
THR B  64
 None
 0.64A 2pymB-5ccxB:
undetectable		 2pymB-5ccxB:
11.27
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ASP A 498
ASN A 499
THR A 357
 None
 0.71A 2pymB-5dgtA:
undetectable		 2pymB-5dgtA:
13.26
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		3 ASP A 319
ASN A 320
THR A 328
 None
 0.74A 2pymB-5dlkA:
undetectable		 2pymB-5dlkA:
16.72
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 140
ASN A 138
THR A 166
 None
 0.69A 2pymB-5dx5A:
undetectable		 2pymB-5dx5A:
15.50
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		3 ASP A  49
ASN A  50
THR A 244
 None
 0.48A 2pymB-5firA:
undetectable		 2pymB-5firA:
10.00
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 613
ASN A 616
THR A 621
 None
 0.60A 2pymB-5fokA:
undetectable		 2pymB-5fokA:
8.51
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.
5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Rattus
norvegicus) 		PF12796
(Ank_2)
PF16511
(FERM_f0) 		3 ASP A 160
ASN A 161
THR A 128
 None
 0.71A 2pymB-5g4xA:
undetectable		 2pymB-5g4xA:
13.37
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.
5hzv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		3 ASP A 487
ASN A 485
THR A 612
 None
 0.59A 2pymB-5hzvA:
undetectable		 2pymB-5hzvA:
9.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 ASP A 436
ASN A 437
THR A 657
 None
 0.74A 2pymB-5jouA:
undetectable		 2pymB-5jouA:
8.60
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		3 ASP A 120
ASN A 118
THR A1245
 None
 0.71A 2pymB-5k94A:
undetectable		 2pymB-5k94A:
13.08
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		3 ASP A 389
ASN A 390
THR A 384
 None
 0.57A 2pymB-5mtzA:
undetectable		 2pymB-5mtzA:
8.73
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.
5my7 ADHESIN

(Neisseria
meningitidis) 		no annotation 3 ASP A  75
ASN A  73
THR A  56
 None
PEG  A 202 (-4.5A)
None
 0.74A 2pymB-5my7A:
undetectable		 2pymB-5my7A:
20.31
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 3 ASP A 118
ASN A 119
THR A 110
 None
 0.64A 2pymB-5oc1A:
undetectable		 2pymB-5oc1A:
10.00
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.
5oie -

(-) 		no annotation 3 ASP A 102
ASN A 103
THR A 110
 None
 0.72A 2pymB-5oieA:
undetectable		 2pymB-5oieA:
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.
5tv2 ELONGATION FACTOR G

(Vibrio
vulnificus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		3 ASP A 399
ASN A 397
THR A 394
 None
 0.74A 2pymB-5tv2A:
undetectable		 2pymB-5tv2A:
14.50
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.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ASP A 172
ASN A 170
THR A 167
 None
 0.71A 2pymB-5umnA:
undetectable		 2pymB-5umnA:
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.
5vbl APELIN
RECEPTOR,RUBREDOXIN,
APELIN RECEPTOR
CHIMERA

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		3 ASP B1021
ASN B1022
THR B1028
 None
 0.68A 2pymB-5vblB:
undetectable		 2pymB-5vblB:
14.48
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.
5w6t HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 ASP A  45
ASN A 296
THR A 301
 None
 0.71A 2pymB-5w6tA:
undetectable		 2pymB-5w6tA:
15.31
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 3 ASP C 545
ASN C 546
THR C 507
 None
 0.60A 2pymB-5wqlC:
undetectable		 2pymB-5wqlC:
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.
5xrt -

(-) 		no annotation 3 ASP A 172
ASN A 170
THR A 167
 None
None
NAG  A 515 ( 4.2A)
 0.72A 2pymB-5xrtA:
undetectable		 2pymB-5xrtA:
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.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		3 ASP A 108
ASN A 109
THR A  85
 None
 0.72A 2pymB-5y9qA:
undetectable		 2pymB-5y9qA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z7h LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
aureus) 		no annotation 3 ASP A 198
ASN A 199
THR A 175
 None
 0.67A 2pymB-5z7hA:
undetectable		 2pymB-5z7hA:
24.24
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.
6bbj TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 3 ASP A 259
ASN A 224
THR A 192
 None
 0.74A 2pymB-6bbjA:
undetectable		 2pymB-6bbjA:
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.
6c8g TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 3 ASP A 259
ASN A 224
THR A 192
 None
 0.75A 2pymB-6c8gA:
undetectable		 2pymB-6c8gA:
23.00