SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_E_377E401

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.
1a44 PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN

(Bos taurus) 		PF01161
(PBP) 		4 ASN A  90
GLU A 134
TYR A 157
PHE A 153
 None
 0.95A 4twdD-1a44A:
undetectable
4twdE-1a44A:
0.0		 4twdD-1a44A:
18.97
4twdE-1a44A:
18.97
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 TYR A 118
ASN A 409
GLU A 214
LEU A 123
 None
 1.14A 4twdD-1c7jA:
0.0
4twdE-1c7jA:
0.0		 4twdD-1c7jA:
20.00
4twdE-1c7jA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 TYR A  40
GLU A 696
TYR A  70
LEU A  66
 None
 1.30A 4twdD-1ileA:
3.5
4twdE-1ileA:
3.7		 4twdD-1ileA:
16.67
4twdE-1ileA:
16.67
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 TYR A 141
GLU A 338
LEU A 121
PHE A 334
 None
 1.30A 4twdD-1ituA:
0.0
4twdE-1ituA:
0.0		 4twdD-1ituA:
21.91
4twdE-1ituA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kn3 PHOSPHATIDYLETHANOLA
MINE BINDING
PROTEIN-2

(Mus musculus) 		PF01161
(PBP) 		4 ASN A  91
GLU A 135
TYR A 158
PHE A 154
 None
 1.06A 4twdD-1kn3A:
undetectable
4twdE-1kn3A:
0.0		 4twdD-1kn3A:
16.88
4twdE-1kn3A:
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.
1lm7 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		4 TYR A2316
GLU A2324
TYR A2275
LEU A2292
 None
 1.30A 4twdD-1lm7A:
undetectable
4twdE-1lm7A:
undetectable		 4twdD-1lm7A:
22.09
4twdE-1lm7A:
22.09
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 355
GLU A 361
TYR A 415
PHE A 381
 None
 0.75A 4twdD-1nylA:
0.0
4twdE-1nylA:
undetectable		 4twdD-1nylA:
19.37
4twdE-1nylA:
19.37
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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		4 TYR A 131
GLU A 172
TYR A 164
LEU A  59
 CO3  A 496 (-4.4A)
None
None
None
 1.11A 4twdD-1od5A:
0.0
4twdE-1od5A:
undetectable		 4twdD-1od5A:
19.68
4twdE-1od5A:
19.68
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.
1op9 HL6 CAMEL VHH
FRAGMENT

(Camelus
dromedarius) 		PF07686
(V-set) 		4 ASN A  74
GLU A  97
TYR A 110
LEU A   4
 None
 1.16A 4twdD-1op9A:
2.3
4twdE-1op9A:
1.2		 4twdD-1op9A:
15.64
4twdE-1op9A:
15.64
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.
1rty YVQK PROTEIN

(Bacillus
subtilis) 		PF01923
(Cob_adeno_trans) 		4 TYR A 159
GLU A  66
TYR A 152
LEU A 153
 None
 1.28A 4twdD-1rtyA:
4.1
4twdE-1rtyA:
4.2		 4twdD-1rtyA:
22.79
4twdE-1rtyA:
22.79
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 330
TYR A 115
LEU A 120
PHE A 170
 None
 1.19A 4twdD-1rxtA:
undetectable
4twdE-1rxtA:
undetectable		 4twdD-1rxtA:
20.48
4twdE-1rxtA:
20.48
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.
1sqh HYPOTHETICAL PROTEIN
CG14615-PA

(Drosophila
melanogaster) 		PF08445
(FR47) 		4 ASN A 229
GLU A 264
TYR A  40
LEU A  37
 None
 1.14A 4twdD-1sqhA:
undetectable
4twdE-1sqhA:
undetectable		 4twdD-1sqhA:
22.67
4twdE-1sqhA:
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.
1wyz PUTATIVE
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A  24
GLU A   2
TYR A   6
LEU A   8
 None
 1.17A 4twdD-1wyzA:
undetectable
4twdE-1wyzA:
undetectable		 4twdD-1wyzA:
20.49
4twdE-1wyzA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 903
ASN A 906
GLU A 922
TYR A1197
 None
 1.23A 4twdD-1yguA:
undetectable
4twdE-1yguA:
undetectable		 4twdD-1yguA:
20.03
4twdE-1yguA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ah6 BH1595, UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF01923
(Cob_adeno_trans) 		4 TYR A 160
GLU A  65
TYR A 153
LEU A 154
 None
 1.25A 4twdD-2ah6A:
3.6
4twdE-2ah6A:
4.3		 4twdD-2ah6A:
22.68
4twdE-2ah6A:
22.68
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		4 ASN A 245
GLU A 316
TYR A 352
PHE A 252
 None
ZN  A 500 ( 2.7A)
None
ZN  A 501 ( 4.8A)
 1.27A 4twdD-2ayiA:
undetectable
4twdE-2ayiA:
undetectable		 4twdD-2ayiA:
20.36
4twdE-2ayiA:
20.36
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.
2cq4 RNA BINDING MOTIF
PROTEIN 23

(Homo sapiens) 		PF00076
(RRM_1) 		4 ASN A 186
GLU A 228
TYR A 195
PHE A 153
 None
 1.20A 4twdD-2cq4A:
undetectable
4twdE-2cq4A:
undetectable		 4twdD-2cq4A:
16.56
4twdE-2cq4A:
16.56
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ASN A 108
GLU A 578
TYR A 541
LEU A 546
 None
 1.16A 4twdD-2eaeA:
2.8
4twdE-2eaeA:
3.1		 4twdD-2eaeA:
15.77
4twdE-2eaeA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 GLU B 328
TYR B 303
LEU B 309
PHE B 327
 None
 1.17A 4twdD-2f2aB:
undetectable
4twdE-2f2aB:
undetectable		 4twdD-2f2aB:
20.13
4twdE-2f2aB:
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 TYR A 373
GLU A 359
TYR A 228
LEU A 152
 None
 1.19A 4twdD-2fv0A:
2.4
4twdE-2fv0A:
2.4		 4twdD-2fv0A:
20.34
4twdE-2fv0A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iqx PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN
1

(Rattus
norvegicus) 		PF01161
(PBP) 		4 ASN A  91
GLU A 135
TYR A 158
PHE A 154
 None
 1.02A 4twdD-2iqxA:
undetectable
4twdE-2iqxA:
undetectable		 4twdD-2iqxA:
19.74
4twdE-2iqxA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 GLU A  30
TYR A  94
LEU A  98
PHE A  29
 None
 1.18A 4twdD-2jb1A:
undetectable
4twdE-2jb1A:
undetectable		 4twdD-2jb1A:
22.04
4twdE-2jb1A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 467
ASN A 420
GLU A 376
TYR A 387
 None
 1.27A 4twdD-2jf4A:
undetectable
4twdE-2jf4A:
undetectable		 4twdD-2jf4A:
20.00
4twdE-2jf4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 ASN A 680
TYR A 664
LEU A 674
PHE A 631
 None
 1.27A 4twdD-2okxA:
3.7
4twdE-2okxA:
3.7		 4twdD-2okxA:
16.37
4twdE-2okxA:
16.37
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.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans) 		no annotation 4 ASN A  24
GLU A  52
LEU A  31
PHE A  51
 GOL  A 232 (-3.1A)
None
None
None
 1.04A 4twdD-2p11A:
undetectable
4twdE-2p11A:
undetectable		 4twdD-2p11A:
19.81
4twdE-2p11A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		4 ASN A 273
GLU A 241
LEU A 268
PHE A 168
 None
 1.13A 4twdD-2qikA:
undetectable
4twdE-2qikA:
undetectable		 4twdD-2qikA:
19.88
4twdE-2qikA:
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.
2vza CELL FILAMENTATION
PROTEIN

(Bartonella
henselae) 		PF02661
(Fic) 		4 ASN A 145
GLU A 174
LEU A 213
PHE A 186
 None
 1.13A 4twdD-2vzaA:
undetectable
4twdE-2vzaA:
undetectable		 4twdD-2vzaA:
20.29
4twdE-2vzaA:
20.29
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.
2wqh CTPR3Y3

(synthetic
construct) 		PF13414
(TPR_11)
PF13432
(TPR_16) 		4 TYR A  20
ASN A  17
GLU A  78
TYR A  47
 None
 1.17A 4twdD-2wqhA:
undetectable
4twdE-2wqhA:
undetectable		 4twdD-2wqhA:
16.49
4twdE-2wqhA:
16.49
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 ASN A1046
GLU A 239
TYR A  73
LEU A 159
 None
 1.28A 4twdD-2y35A:
undetectable
4twdE-2y35A:
undetectable		 4twdD-2y35A:
14.46
4twdE-2y35A:
14.46
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ASN A2470
GLU A2243
TYR A2348
PHE A2242
 None
 1.14A 4twdD-2ypdA:
undetectable
4twdE-2ypdA:
undetectable		 4twdD-2ypdA:
21.48
4twdE-2ypdA:
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.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		4 TYR A 190
GLU A 231
TYR A 223
LEU A  62
 None
 1.24A 4twdD-3ehkA:
undetectable
4twdE-3ehkA:
undetectable		 4twdD-3ehkA:
18.86
4twdE-3ehkA:
18.86
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.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 TYR A 176
GLU A 123
TYR A 180
LEU A 179
 None
 1.21A 4twdD-3eykA:
undetectable
4twdE-3eykA:
undetectable		 4twdD-3eykA:
22.47
4twdE-3eykA:
22.47
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 176
TYR A 135
LEU A 170
PHE A 110
 None
 1.05A 4twdD-3h09A:
undetectable
4twdE-3h09A:
undetectable		 4twdD-3h09A:
13.55
4twdE-3h09A:
13.55
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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 TYR A 789
ASN A 796
TYR A 828
LEU A 824
 None
 1.11A 4twdD-3h6zA:
undetectable
4twdE-3h6zA:
undetectable		 4twdD-3h6zA:
22.59
4twdE-3h6zA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus) 		PF00329
(Complex1_30kDa)
PF00346
(Complex1_49kDa) 		4 ASN 4 377
TYR 4 246
LEU 4 239
PHE 5  48
 None
 1.17A 4twdD-3i9v4:
undetectable
4twdE-3i9v4:
2.2		 4twdD-3i9v4:
23.08
4twdE-3i9v4:
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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 TYR A  51
GLU A 207
TYR A 112
PHE A 210
 None
 1.30A 4twdD-3ibxA:
2.7
4twdE-3ibxA:
2.3		 4twdD-3ibxA:
20.50
4twdE-3ibxA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Streptomyces
mobaraensis) 		PF09017
(Transglut_prok) 		4 TYR A  88
ASN A 117
GLU A 338
LEU A 106
 None
 1.26A 4twdD-3iu0A:
undetectable
4twdE-3iu0A:
undetectable		 4twdD-3iu0A:
21.68
4twdE-3iu0A:
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		4 ASN A 160
GLU A 192
TYR A 195
LEU A 165
 None
 1.28A 4twdD-3k7yA:
undetectable
4twdE-3k7yA:
undetectable		 4twdD-3k7yA:
20.71
4twdE-3k7yA:
20.71
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A1152
ASN A1103
GLU A1246
LEU A1157
 None
 0.98A 4twdD-3k9bA:
undetectable
4twdE-3k9bA:
undetectable		 4twdD-3k9bA:
19.89
4twdE-3k9bA:
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 140
TYR A 132
LEU A 133
PHE A 102
 None
 1.02A 4twdD-3ll8A:
undetectable
4twdE-3ll8A:
undetectable		 4twdD-3ll8A:
22.55
4twdE-3ll8A:
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU A 593
TYR A 625
LEU A 604
PHE A 592
 None
 1.22A 4twdD-3m49A:
undetectable
4twdE-3m49A:
undetectable		 4twdD-3m49A:
19.07
4twdE-3m49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 401
ASN A 481
GLU A 301
LEU A 452
 None
 1.07A 4twdD-3n6rA:
undetectable
4twdE-3n6rA:
undetectable		 4twdD-3n6rA:
18.94
4twdE-3n6rA:
18.94
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.
3njn PEPTIDASE

(Shewanella
oneidensis) 		PF08985
(DP-EP) 		4 TYR A  26
ASN A  14
LEU A  49
PHE A  60
 None
 1.30A 4twdD-3njnA:
undetectable
4twdE-3njnA:
undetectable		 4twdD-3njnA:
17.49
4twdE-3njnA:
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLU A 428
TYR A 568
LEU A 572
PHE A 474
 None
 1.06A 4twdD-3odwA:
4.1
4twdE-3odwA:
4.1		 4twdD-3odwA:
20.11
4twdE-3odwA:
20.11
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.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLU A 428
TYR A 568
LEU A 572
PHE A 474
 None
 1.06A 4twdD-3odxA:
4.1
4twdE-3odxA:
4.1		 4twdD-3odxA:
20.05
4twdE-3odxA:
20.05
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.
3p0s CAPSID PROTEIN VP

(Lepidopteran
iteradensovirus
1) 		PF01057
(Parvo_NS1) 		4 TYR A 351
ASN A 270
GLU A 129
LEU A 273
 None
 1.30A 4twdD-3p0sA:
undetectable
4twdE-3p0sA:
undetectable		 4twdD-3p0sA:
19.55
4twdE-3p0sA:
19.55
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.
3qfg UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF16729
(DUF5067) 		4 ASN A 172
TYR A 161
LEU A 127
PHE A  91
 None
 1.22A 4twdD-3qfgA:
undetectable
4twdE-3qfgA:
undetectable		 4twdD-3qfgA:
19.08
4twdE-3qfgA:
19.08
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TYR A 383
GLU A 540
TYR A 445
PHE A 543
 None
 1.05A 4twdD-3rm5A:
3.6
4twdE-3rm5A:
3.3		 4twdD-3rm5A:
16.91
4twdE-3rm5A:
16.91
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.
3sol TYPE II SECRETION
PATHWAY RELATED
PROTEIN

(Escherichia
coli) 		PF09691
(T2SS_PulS_OutS) 		4 ASN A  37
GLU A  86
TYR A  31
LEU A  32
 CL  A 200 (-4.3A)
None
None
None
 1.11A 4twdD-3solA:
undetectable
4twdE-3solA:
undetectable		 4twdD-3solA:
14.29
4twdE-3solA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 TYR A   9
TYR A 150
LEU A  37
PHE A 153
 None
 1.11A 4twdD-3sr3A:
undetectable
4twdE-3sr3A:
undetectable		 4twdD-3sr3A:
20.51
4twdE-3sr3A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 GLU A 152
TYR A 121
LEU A 146
PHE A 107
 None
 0.91A 4twdD-3syjA:
undetectable
4twdE-3syjA:
undetectable		 4twdD-3syjA:
14.96
4twdE-3syjA:
14.96
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 387
ASN A 466
GLU A 287
LEU A 437
 None
 1.29A 4twdD-3u9sA:
undetectable
4twdE-3u9sA:
undetectable		 4twdD-3u9sA:
18.56
4twdE-3u9sA:
18.56
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 TYR A 708
ASN A 706
LEU A 624
PHE A 673
 None
AP2  A 806 (-3.7A)
None
None
 0.96A 4twdD-3vthA:
undetectable
4twdE-3vthA:
undetectable		 4twdD-3vthA:
17.11
4twdE-3vthA:
17.11
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.
3vw5 CELLOBIOSE
2-EPIMERASE

(Ruminococcus
albus) 		PF07221
(GlcNAc_2-epim) 		4 TYR A 110
ASN A 111
GLU A 187
TYR A 373
 None
 1.26A 4twdD-3vw5A:
2.5
4twdE-3vw5A:
2.5		 4twdD-3vw5A:
22.06
4twdE-3vw5A:
22.06
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.
4a56 PULLULANASE
SECRETION PROTEIN
PULS

(Klebsiella
oxytoca) 		PF09691
(T2SS_PulS_OutS) 		4 ASN A  54
GLU A 103
TYR A  48
LEU A  49
 MRD  A1123 (-4.3A)
None
None
None
 1.15A 4twdD-4a56A:
undetectable
4twdE-4a56A:
undetectable		 4twdD-4a56A:
15.73
4twdE-4a56A:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASN A 599
GLU A 591
TYR A 623
PHE A 590
 None
 1.30A 4twdD-4c7vA:
undetectable
4twdE-4c7vA:
undetectable		 4twdD-4c7vA:
17.60
4twdE-4c7vA:
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.
4dap SUGAR FERMENTATION
STIMULATION PROTEIN
A

(Escherichia
coli) 		PF03749
(SfsA) 		4 ASN A  95
GLU A 100
TYR A 215
LEU A 226
 None
 0.75A 4twdD-4dapA:
undetectable
4twdE-4dapA:
undetectable		 4twdD-4dapA:
23.72
4twdE-4dapA:
23.72
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		4 ASN A 250
GLU A 335
TYR A 337
LEU A 224
 None
 1.27A 4twdD-4dcmA:
undetectable
4twdE-4dcmA:
undetectable		 4twdD-4dcmA:
21.12
4twdE-4dcmA:
21.12
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.
4fxq PUTATIVE
ADP-RIBOSYLTRANSFERA
SE CERTHRAX

(Bacillus cereus) 		PF03496
(ADPrib_exo_Tox)
PF07737
(ATLF) 		4 GLU A 129
TYR A 220
LEU A 217
PHE A 135
 None
 1.06A 4twdD-4fxqA:
undetectable
4twdE-4fxqA:
undetectable		 4twdD-4fxqA:
21.35
4twdE-4fxqA:
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 TYR A 473
TYR A 465
LEU A 466
PHE A 435
 None
 1.12A 4twdD-4il1A:
undetectable
4twdE-4il1A:
undetectable		 4twdD-4il1A:
17.22
4twdE-4il1A:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		4 GLU A 581
TYR A 507
LEU A 718
PHE A 634
 None
 1.27A 4twdD-4ioxA:
undetectable
4twdE-4ioxA:
undetectable		 4twdD-4ioxA:
23.34
4twdE-4ioxA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		4 TYR A 229
ASN A 232
TYR A 201
PHE A 283
 None
None
FMT  A 501 (-3.3A)
FMT  A 501 (-3.1A)
 1.20A 4twdD-4kv7A:
undetectable
4twdE-4kv7A:
undetectable		 4twdD-4kv7A:
21.68
4twdE-4kv7A:
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.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 ASN A 421
GLU A 414
TYR A 441
LEU A 442
 None
 1.25A 4twdD-4kwgA:
undetectable
4twdE-4kwgA:
undetectable		 4twdD-4kwgA:
21.78
4twdE-4kwgA:
21.78
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		4 TYR A 267
TYR A 254
LEU A 260
PHE A 228
 None
 1.29A 4twdD-4meaA:
undetectable
4twdE-4meaA:
undetectable		 4twdD-4meaA:
23.53
4twdE-4meaA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 TYR A 149
TYR A 141
LEU A 142
PHE A 111
 None
 1.00A 4twdD-4oraA:
undetectable
4twdE-4oraA:
undetectable		 4twdD-4oraA:
18.93
4twdE-4oraA:
18.93
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		4 TYR A 140
TYR A 132
LEU A 133
PHE A 102
 None
 1.03A 4twdD-4orbA:
undetectable
4twdE-4orbA:
undetectable		 4twdD-4orbA:
20.46
4twdE-4orbA:
20.46
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.
4p1l TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Chromohalobacter
salexigens) 		PF03480
(DctP) 		4 TYR A  46
GLU A 244
LEU A  52
PHE A 151
 None
BDP  A 401 (-3.0A)
None
None
 1.29A 4twdD-4p1lA:
undetectable
4twdE-4p1lA:
undetectable		 4twdD-4p1lA:
23.29
4twdE-4p1lA:
23.29
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 368
GLU A 374
TYR A 428
PHE A 394
 None
 0.69A 4twdD-4p2bA:
undetectable
4twdE-4p2bA:
undetectable		 4twdD-4p2bA:
17.79
4twdE-4p2bA:
17.79
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 TYR A 431
GLU A 480
TYR A 425
LEU A 426
 GOL  A 602 (-4.5A)
GOL  A 602 (-4.9A)
None
None
 1.12A 4twdD-4pysA:
undetectable
4twdE-4pysA:
undetectable		 4twdD-4pysA:
19.85
4twdE-4pysA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLU A 663
TYR A 592
LEU A 596
PHE A 666
 None
 1.26A 4twdD-4tweA:
undetectable
4twdE-4tweA:
undetectable		 4twdD-4tweA:
16.85
4twdE-4tweA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		4 TYR A 199
ASN A 196
LEU A 298
PHE A 187
 None
PEG  A 502 (-2.7A)
None
None
 1.20A 4twdD-4uacA:
undetectable
4twdE-4uacA:
undetectable		 4twdD-4uacA:
21.78
4twdE-4uacA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		4 GLU A 131
TYR A 175
LEU A 178
PHE A 188
 None
 0.60A 4twdD-4yeuA:
29.5
4twdE-4yeuA:
29.6		 4twdD-4yeuA:
71.25
4twdE-4yeuA:
71.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASN A 249
GLU A 260
TYR A 216
LEU A 215
 None
 1.20A 4twdD-4zo6A:
2.8
4twdE-4zo6A:
2.9		 4twdD-4zo6A:
17.45
4twdE-4zo6A:
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 TYR A 158
TYR A 150
LEU A 151
PHE A 120
 None
 1.01A 4twdD-5b8iA:
undetectable
4twdE-5b8iA:
undetectable		 4twdD-5b8iA:
22.66
4twdE-5b8iA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ASN A 357
GLU A 364
TYR A 417
PHE A 383
 None
 0.76A 4twdD-5bnzA:
undetectable
4twdE-5bnzA:
undetectable		 4twdD-5bnzA:
21.68
4twdE-5bnzA:
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.
5c2w HYPOTHETICAL (DI
HEME) PROTEIN

(Candidatus
Kuenenia
stuttgartiensis) 		PF00034
(Cytochrom_C) 		4 GLU C 219
TYR C 349
LEU C 350
PHE C 218
 None
None
HEC  C 405 ( 4.9A)
None
 1.19A 4twdD-5c2wC:
undetectable
4twdE-5c2wC:
undetectable		 4twdD-5c2wC:
23.75
4twdE-5c2wC:
23.75
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		4 ASN A 186
GLU A 206
LEU A 245
PHE A 213
 None
 1.03A 4twdD-5c3uA:
undetectable
4twdE-5c3uA:
undetectable		 4twdD-5c3uA:
22.02
4twdE-5c3uA:
22.02
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.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		4 ASN A 102
GLU A  17
TYR A 123
LEU A 120
 None
FE  A 203 ( 4.7A)
IMD  A 204 (-3.7A)
None
 1.30A 4twdD-5c6fA:
4.2
4twdE-5c6fA:
3.9		 4twdD-5c6fA:
17.63
4twdE-5c6fA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		4 TYR A 107
GLU A  82
TYR A  77
LEU A  78
 GLC  A 301 ( 3.2A)
GLC  A 301 (-2.1A)
GLC  A 301 (-2.9A)
None
 1.21A 4twdD-5dzeA:
undetectable
4twdE-5dzeA:
undetectable		 4twdD-5dzeA:
20.19
4twdE-5dzeA:
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.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 TYR A  68
TYR A 203
LEU A 200
PHE A 189
 None
 1.26A 4twdD-5e9uA:
undetectable
4twdE-5e9uA:
undetectable		 4twdD-5e9uA:
20.66
4twdE-5e9uA:
20.66
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 TYR A 469
TYR A 525
LEU A 476
PHE A 593
 None
 1.13A 4twdD-5fwjA:
2.9
4twdE-5fwjA:
3.1		 4twdD-5fwjA:
20.09
4twdE-5fwjA:
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.
5fzo PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ASN A2470
GLU A2243
TYR A2348
PHE A2242
 None
 1.13A 4twdD-5fzoA:
undetectable
4twdE-5fzoA:
undetectable		 4twdD-5fzoA:
22.22
4twdE-5fzoA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4a ARGONAUTE PROTEIN

(Marinitoga
piezophila) 		no annotation 4 TYR A 442
TYR A 500
LEU A 470
PHE A 504
 None
 1.16A 4twdD-5i4aA:
undetectable
4twdE-5i4aA:
undetectable		 4twdD-5i4aA:
16.49
4twdE-5i4aA:
16.49
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum) 		PF06723
(MreB_Mbl) 		4 TYR A 276
ASN A 156
GLU A 180
LEU A 268
 None
 1.27A 4twdD-5jygA:
undetectable
4twdE-5jygA:
undetectable		 4twdD-5jygA:
22.52
4twdE-5jygA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 4 TYR B 907
GLU B 956
TYR B 990
LEU B 953
 None
 1.29A 4twdD-5kdjB:
undetectable
4twdE-5kdjB:
undetectable		 4twdD-5kdjB:
17.31
4twdE-5kdjB:
17.31
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 TYR A 907
GLU A 956
TYR A 990
LEU A 953
 None
 1.29A 4twdD-5kdsA:
undetectable
4twdE-5kdsA:
undetectable		 4twdD-5kdsA:
18.58
4twdE-5kdsA:
18.58
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.
5lp8 E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		no annotation 4 ASN B4102
TYR B4078
LEU B4080
PHE B4027
 None
 1.27A 4twdD-5lp8B:
undetectable
4twdE-5lp8B:
undetectable		 4twdD-5lp8B:
22.76
4twdE-5lp8B:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III

(Methanococcoides
burtonii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 TYR A 259
GLU A 247
TYR A 280
LEU A 276
 None
 1.29A 4twdD-5macA:
undetectable
4twdE-5macA:
undetectable		 4twdD-5macA:
19.54
4twdE-5macA:
19.54
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLU A 643
TYR A 675
LEU A 654
PHE A 642
 None
 1.19A 4twdD-5nd5A:
undetectable
4twdE-5nd5A:
undetectable		 4twdD-5nd5A:
15.91
4twdE-5nd5A:
15.91
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.
5oqm MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31,MEDIATOR
OF RNA POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		no annotation 4 TYR o  66
TYR o  60
LEU o  61
PHE o  32
 None
 1.00A 4twdD-5oqmo:
3.5
4twdE-5oqmo:
undetectable		 4twdD-5oqmo:
12.93
4twdE-5oqmo:
12.93
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.
5sva MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		PF05669
(Med31) 		4 TYR X  63
TYR X  57
LEU X  58
PHE X  29
 None
 0.92A 4twdD-5svaX:
undetectable
4twdE-5svaX:
undetectable		 4twdD-5svaX:
16.27
4twdE-5svaX:
16.27
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.
5u1b MTRE
PROTEIN,FERRITIN
CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 4 ASN A 102
GLU A  17
TYR A 123
LEU A 120
 None
 1.30A 4twdD-5u1bA:
3.8
4twdE-5u1bA:
3.8		 4twdD-5u1bA:
19.75
4twdE-5u1bA:
19.75
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.
5v4n ALPHA3(135-145)-HLA-
DRB1*01:01

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 GLU C 277
TYR C 296
LEU C 317
PHE C 289
 None
 1.15A 4twdD-5v4nC:
3.5
4twdE-5v4nC:
3.5		 4twdD-5v4nC:
19.46
4twdE-5v4nC:
19.46
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		4 TYR A 438
TYR A 494
LEU A 445
PHE A 562
 None
 1.20A 4twdD-5v9pA:
3.3
4twdE-5v9pA:
3.3		 4twdD-5v9pA:
16.69
4twdE-5v9pA:
16.69
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.
5xhw PUTATIVE
6-DEOXY-D-MANNOHEPTO
SE PATHWAY PROTEIN

(Yersinia
pseudotuberculosis) 		no annotation 4 GLU A 188
TYR A 170
LEU A 172
PHE A 187
 SO4  A 303 ( 4.7A)
None
None
None
 1.13A 4twdD-5xhwA:
undetectable
4twdE-5xhwA:
undetectable		 4twdD-5xhwA:
12.34
4twdE-5xhwA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 TYR A 171
GLU A 119
TYR A 175
LEU A 174
 None
 1.23A 4twdD-5xl2A:
undetectable
4twdE-5xl2A:
undetectable		 4twdD-5xl2A:
22.59
4twdE-5xl2A:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 TYR A 264
TYR A 320
LEU A 271
PHE A 388
 None
 1.10A 4twdD-5yknA:
undetectable
4twdE-5yknA:
undetectable		 4twdD-5yknA:
11.60
4twdE-5yknA:
11.60
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.
6bgz LYSINE-SPECIFIC
DEMETHYLASE 5A,
LINKED KDM5A JMJ
DOMAIN

(Homo sapiens) 		no annotation 4 TYR A 438
TYR A 494
LEU A 445
PHE A 562
 None
 1.17A 4twdD-6bgzA:
undetectable
4twdE-6bgzA:
undetectable		 4twdD-6bgzA:
13.09
4twdE-6bgzA:
13.09
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.
6ek6 LYSINE-SPECIFIC
DEMETHYLASE
5B,LYSINE-SPECIFIC
DEMETHYLASE 5B

(Homo sapiens) 		no annotation 4 TYR A 454
TYR A 510
LEU A 461
PHE A 578
 None
 1.12A 4twdD-6ek6A:
undetectable
4twdE-6ek6A:
2.8		 4twdD-6ek6A:
11.19
4twdE-6ek6A:
11.19
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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 4 ASN A 624
GLU A 533
TYR A 538
LEU A 621
 None
 1.00A 4twdD-6fcxA:
undetectable
4twdE-6fcxA:
undetectable		 4twdD-6fcxA:
12.97
4twdE-6fcxA:
12.97