SIMILAR PATTERNS OF AMINO ACIDS FOR 4TWD_G_377G401

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 GLU A 134
TYR A 157
LEU A 159
PHE A 153
 None
 1.39A 4twdF-1a44A:
0.0
4twdG-1a44A:
undetectable		 4twdF-1a44A:
18.97
4twdG-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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 GLU A 377
TYR A 265
LEU A 266
PHE A 380
 None
 1.38A 4twdF-1cs1A:
0.0
4twdG-1cs1A:
0.0		 4twdF-1cs1A:
21.66
4twdG-1cs1A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fht U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A

(Homo sapiens) 		PF00076
(RRM_1) 		4 ARG A  46
GLU A  24
TYR A  77
LEU A  16
 None
 1.09A 4twdF-1fhtA:
undetectable
4twdG-1fhtA:
undetectable		 4twdF-1fhtA:
16.61
4twdG-1fhtA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2

(Homo sapiens) 		PF00145
(DNA_methylase) 		4 TYR A 144
TYR A 163
LEU A 118
PHE A 124
 None
 1.35A 4twdF-1g55A:
0.0
4twdG-1g55A:
0.0		 4twdF-1g55A:
21.29
4twdG-1g55A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy7 NUCLEAR TRANSPORT
FACTOR 2

(Saccharomyces
cerevisiae) 		PF02136
(NTF2) 		4 TYR A 123
GLU A  40
LEU A  88
PHE A 119
 None
 1.32A 4twdF-1gy7A:
undetectable
4twdG-1gy7A:
0.0		 4twdF-1gy7A:
18.49
4twdG-1gy7A:
18.49
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 TYR A 141
GLU A 338
LEU A 121
PHE A 334
 None
 1.28A 4twdF-1ituA:
0.0
4twdG-1ituA:
0.0		 4twdF-1ituA:
21.91
4twdG-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.
1lm7 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		4 TYR A2316
GLU A2324
TYR A2275
LEU A2292
 None
 1.12A 4twdF-1lm7A:
0.0
4twdG-1lm7A:
undetectable		 4twdF-1lm7A:
22.09
4twdG-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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		4 TYR A 342
GLU A 230
LEU A 364
PHE A 231
 None
 1.29A 4twdF-1ocmA:
0.0
4twdG-1ocmA:
0.0		 4twdF-1ocmA:
22.14
4twdG-1ocmA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 4twdF-1od5A:
0.0
4twdG-1od5A:
0.0		 4twdF-1od5A:
19.68
4twdG-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.
1r6e TYPEIII-SECRETED
PROTEIN EFFECTOR:
INVASION-ASSOCIATED
PROTEIN

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		4 GLU A 143
TYR A 235
LEU A 130
PHE A 140
 None
 1.34A 4twdF-1r6eA:
undetectable
4twdG-1r6eA:
undetectable		 4twdF-1r6eA:
18.63
4twdG-1r6eA:
18.63
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.
1rty YVQK PROTEIN

(Bacillus
subtilis) 		PF01923
(Cob_adeno_trans) 		4 TYR A 159
GLU A  66
TYR A 152
LEU A 153
 None
 1.39A 4twdF-1rtyA:
undetectable
4twdG-1rtyA:
undetectable		 4twdF-1rtyA:
22.79
4twdG-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.
1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF14519
(Macro_2) 		4 GLU A 240
TYR A 233
LEU A 261
PHE A 243
 None
 1.33A 4twdF-1txzA:
undetectable
4twdG-1txzA:
undetectable		 4twdF-1txzA:
19.37
4twdG-1txzA:
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.
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
 1.37A 4twdF-2ah6A:
undetectable
4twdG-2ah6A:
undetectable		 4twdF-2ah6A:
22.68
4twdG-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.
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
 1.20A 4twdF-2f2aB:
undetectable
4twdG-2f2aB:
undetectable		 4twdF-2f2aB:
20.13
4twdG-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
 1.00A 4twdF-2fv0A:
undetectable
4twdG-2fv0A:
undetectable		 4twdF-2fv0A:
20.34
4twdG-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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 GLU A  30
TYR A  94
LEU A  98
PHE A  29
 None
 1.08A 4twdF-2jb1A:
undetectable
4twdG-2jb1A:
undetectable		 4twdF-2jb1A:
22.04
4twdG-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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 TYR A 114
ARG A 150
GLU A 334
LEU A 177
 TYR  A 114 ( 1.3A)
ARG  A 150 ( 0.6A)
GLU  A 334 ( 0.6A)
LEU  A 177 ( 0.6A)
 1.37A 4twdF-2nvvA:
undetectable
4twdG-2nvvA:
undetectable		 4twdF-2nvvA:
21.66
4twdG-2nvvA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5z TYPE VI SECRETION
SYSTEM COMPONENT

(Escherichia
coli) 		PF05954
(Phage_GPD) 		4 GLU X  35
TYR X  43
LEU X 108
PHE X  41
 None
 1.33A 4twdF-2p5zX:
0.5
4twdG-2p5zX:
undetectable		 4twdF-2p5zX:
20.33
4twdG-2p5zX:
20.33
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.
2zt9 CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120) 		PF00032
(Cytochrom_B_C) 		4 TYR B  82
ARG B  89
GLU B  74
LEU B 149
 None
 1.15A 4twdF-2zt9B:
undetectable
4twdG-2zt9B:
undetectable		 4twdF-2zt9B:
19.22
4twdG-2zt9B:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6b GLUTARYL-COA
DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A  96
GLU A  57
TYR A  32
LEU A  63
 None
 1.31A 4twdF-3d6bA:
1.2
4twdG-3d6bA:
undetectable		 4twdF-3d6bA:
20.19
4twdG-3d6bA:
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.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		4 TYR A 190
GLU A 231
TYR A 223
LEU A  62
 None
 1.32A 4twdF-3ehkA:
undetectable
4twdG-3ehkA:
undetectable		 4twdF-3ehkA:
18.86
4twdG-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.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Listeria
innocua) 		PF00155
(Aminotran_1_2) 		4 TYR A 233
GLU A 195
TYR A 224
LEU A 226
 None
 1.35A 4twdF-3ffhA:
undetectable
4twdG-3ffhA:
undetectable		 4twdF-3ffhA:
23.29
4twdG-3ffhA:
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.
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
 1.08A 4twdF-3h09A:
undetectable
4twdG-3h09A:
undetectable		 4twdF-3h09A:
13.55
4twdG-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.
3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN

(Porcine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 TYR A 280
GLU A 105
TYR A 133
PHE A 103
 None
 1.33A 4twdF-3i1lA:
undetectable
4twdG-3i1lA:
undetectable		 4twdF-3i1lA:
20.31
4twdG-3i1lA:
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.
3i27 HEMAGGLUTININ-ESTERA
SE

(Bovine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 TYR A 272
GLU A  96
TYR A 124
PHE A  94
 None
 1.32A 4twdF-3i27A:
undetectable
4twdG-3i27A:
undetectable		 4twdF-3i27A:
20.95
4twdG-3i27A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		4 GLU A  77
TYR A 134
LEU A 254
PHE A  76
 None
 1.34A 4twdF-3i6vA:
undetectable
4twdG-3i6vA:
undetectable		 4twdF-3i6vA:
19.17
4twdG-3i6vA:
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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 TYR A  51
GLU A 207
TYR A 112
PHE A 210
 None
 1.27A 4twdF-3ibxA:
undetectable
4twdG-3ibxA:
undetectable		 4twdF-3ibxA:
20.50
4twdG-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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 TYR A 333
TYR A 428
LEU A 431
PHE A 397
 None
 1.38A 4twdF-3kjrA:
undetectable
4twdG-3kjrA:
undetectable		 4twdF-3kjrA:
21.55
4twdG-3kjrA:
21.55
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.
3kkc TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		PF00440
(TetR_N)
PF14278
(TetR_C_8) 		4 GLU A  78
TYR A 126
LEU A 122
PHE A  77
 None
 1.38A 4twdF-3kkcA:
undetectable
4twdG-3kkcA:
undetectable		 4twdF-3kkcA:
19.93
4twdG-3kkcA:
19.93
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		4 ARG A  86
GLU A 146
TYR A 114
PHE A 148
 None
 1.19A 4twdF-3l7yA:
undetectable
4twdG-3l7yA:
undetectable		 4twdF-3l7yA:
25.00
4twdG-3l7yA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4twdF-3ll8A:
undetectable
4twdG-3ll8A:
undetectable		 4twdF-3ll8A:
22.55
4twdG-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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		4 TYR A 666
GLU A 119
TYR A 595
LEU A 598
 None
 1.38A 4twdF-3lvvA:
2.1
4twdG-3lvvA:
undetectable		 4twdF-3lvvA:
18.29
4twdG-3lvvA:
18.29
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.
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
 1.08A 4twdF-3m49A:
undetectable
4twdG-3m49A:
undetectable		 4twdF-3m49A:
19.07
4twdG-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.
3ojy COMPLEMENT COMPONENT
C8 BETA CHAIN

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		4 TYR B  30
ARG B 269
TYR B 279
LEU B 282
 None
 1.27A 4twdF-3ojyB:
undetectable
4twdG-3ojyB:
undetectable		 4twdF-3ojyB:
18.95
4twdG-3ojyB:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A 354
TYR A 501
LEU A 360
PHE A  14
 None
 1.36A 4twdF-3owaA:
undetectable
4twdG-3owaA:
0.9		 4twdF-3owaA:
18.12
4twdG-3owaA:
18.12
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 TYR A 105
TYR A 112
LEU A 111
PHE A 409
 None
 1.38A 4twdF-3pihA:
undetectable
4twdG-3pihA:
undetectable		 4twdF-3pihA:
17.03
4twdG-3pihA:
17.03
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 412
GLU A 406
TYR A 141
LEU A 139
 None
 1.35A 4twdF-3qfvA:
undetectable
4twdG-3qfvA:
0.5		 4twdF-3qfvA:
20.82
4twdG-3qfvA:
20.82
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.
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
 1.00A 4twdF-3rm5A:
1.4
4twdG-3rm5A:
0.7		 4twdF-3rm5A:
16.91
4twdG-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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 TYR A 413
ARG A 539
GLU A 530
LEU A 453
 None
 1.39A 4twdF-3s5kA:
undetectable
4twdG-3s5kA:
undetectable		 4twdF-3s5kA:
14.43
4twdG-3s5kA:
14.43
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 TYR A   9
TYR A 150
LEU A  37
PHE A 153
 None
 1.06A 4twdF-3sr3A:
undetectable
4twdG-3sr3A:
undetectable		 4twdF-3sr3A:
20.51
4twdG-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
 0.99A 4twdF-3syjA:
undetectable
4twdG-3syjA:
undetectable		 4twdF-3syjA:
14.96
4twdG-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 129
ARG A  63
GLU A 383
LEU A 355
 None
 1.28A 4twdF-3u9sA:
undetectable
4twdG-3u9sA:
undetectable		 4twdF-3u9sA:
18.56
4twdG-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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		4 TYR B 289
TYR B 321
LEU B 292
PHE B 308
 None
 1.35A 4twdF-4cakB:
undetectable
4twdG-4cakB:
undetectable		 4twdF-4cakB:
18.10
4twdG-4cakB:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		4 ARG A 148
TYR A 152
LEU A 155
PHE A 130
 None
 1.16A 4twdF-4ct3A:
undetectable
4twdG-4ct3A:
undetectable		 4twdF-4ct3A:
18.24
4twdG-4ct3A:
18.24
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.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		4 TYR A  53
GLU A 220
TYR A 231
LEU A 217
 None
 1.22A 4twdF-4embA:
undetectable
4twdG-4embA:
undetectable		 4twdF-4embA:
21.45
4twdG-4embA:
21.45
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ARG A 481
GLU A 415
TYR A 503
LEU A 432
 None
 1.39A 4twdF-4fnqA:
undetectable
4twdG-4fnqA:
undetectable		 4twdF-4fnqA:
19.48
4twdG-4fnqA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		4 TYR A  94
TYR A 181
LEU A 184
PHE A 150
 None
 1.39A 4twdF-4fogA:
undetectable
4twdG-4fogA:
undetectable		 4twdF-4fogA:
19.33
4twdG-4fogA:
19.33
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.
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
 1.10A 4twdF-4fxqA:
undetectable
4twdG-4fxqA:
undetectable		 4twdF-4fxqA:
21.35
4twdG-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.
4i97 DELTA CLASS 1
GLUTATHIONE
S-TRANSFERASE

(Scaptomyza
nigrita) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  14
GLU A 168
TYR A 184
LEU A 161
 None
 1.39A 4twdF-4i97A:
undetectable
4twdG-4i97A:
undetectable		 4twdF-4i97A:
20.72
4twdG-4i97A:
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.
4ij3 SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 GLU A  64
TYR A  36
LEU A  44
PHE A  66
 None
 1.35A 4twdF-4ij3A:
undetectable
4twdG-4ij3A:
undetectable		 4twdF-4ij3A:
19.94
4twdG-4ij3A:
19.94
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.
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
 1.20A 4twdF-4il1A:
undetectable
4twdG-4il1A:
undetectable		 4twdF-4il1A:
17.22
4twdG-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
 1.26A 4twdF-4ioxA:
undetectable
4twdG-4ioxA:
undetectable		 4twdF-4ioxA:
23.34
4twdG-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.
4j8s CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16417
(CNOT1_TTP_bind) 		4 GLU A 888
TYR A 895
LEU A 900
PHE A 892
 None
 1.35A 4twdF-4j8sA:
undetectable
4twdG-4j8sA:
undetectable		 4twdF-4j8sA:
21.70
4twdG-4j8sA:
21.70
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.
4jwx GLUN2A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A 245
GLU A  16
TYR A 214
LEU A 219
 None
1N4  A 301 ( 4.4A)
1N4  A 301 (-4.2A)
None
 1.34A 4twdF-4jwxA:
undetectable
4twdG-4jwxA:
undetectable		 4twdF-4jwxA:
21.21
4twdG-4jwxA:
21.21
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.
4llf CAPSID PROTEIN

(Cucumber
necrosis virus) 		PF00729
(Viral_coat) 		4 GLU A 100
TYR A 250
LEU A 152
PHE A 134
 None
 1.39A 4twdF-4llfA:
undetectable
4twdG-4llfA:
undetectable		 4twdF-4llfA:
23.20
4twdG-4llfA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		4 TYR A 267
TYR A 254
LEU A 260
PHE A 228
 None
 1.39A 4twdF-4meaA:
undetectable
4twdG-4meaA:
undetectable		 4twdF-4meaA:
23.53
4twdG-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.
4mn0 BEROVIN

(Beroe
abyssicola) 		PF10591
(SPARC_Ca_bdg) 		4 ARG A 119
GLU A 122
TYR A  15
LEU A  16
 None
 1.38A 4twdF-4mn0A:
undetectable
4twdG-4mn0A:
undetectable		 4twdF-4mn0A:
19.56
4twdG-4mn0A:
19.56
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.
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
 1.08A 4twdF-4oraA:
undetectable
4twdG-4oraA:
undetectable		 4twdF-4oraA:
18.93
4twdG-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
 1.10A 4twdF-4orbA:
undetectable
4twdG-4orbA:
undetectable		 4twdF-4orbA:
20.46
4twdG-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
 1.18A 4twdF-4p1lA:
undetectable
4twdG-4p1lA:
undetectable		 4twdF-4p1lA:
23.29
4twdG-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.
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
 1.23A 4twdF-4pysA:
undetectable
4twdG-4pysA:
undetectable		 4twdF-4pysA:
19.85
4twdG-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.
4qmg STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase) 		4 ARG A  87
TYR A 216
LEU A 211
PHE A  80
 None
 1.27A 4twdF-4qmgA:
undetectable
4twdG-4qmgA:
undetectable		 4twdF-4qmgA:
24.72
4twdG-4qmgA:
24.72
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.
4r16 418AA LONG
HYPOTHETICAL
UDP-N-ACETYL-D-MANNO
SAMINURONIC ACID
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 350
GLU A 376
TYR A 347
PHE A 377
 None
 1.40A 4twdF-4r16A:
undetectable
4twdG-4r16A:
undetectable		 4twdF-4r16A:
20.66
4twdG-4r16A:
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.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		4 TYR A 322
GLU A 284
TYR A 360
LEU A 314
 None
 1.29A 4twdF-4tv7A:
undetectable
4twdG-4tv7A:
undetectable		 4twdF-4tv7A:
21.03
4twdG-4tv7A:
21.03
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.
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
 1.32A 4twdF-4tweA:
0.9
4twdG-4tweA:
undetectable		 4twdF-4tweA:
16.85
4twdG-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.
4w9r UNCHARACTERIZED
PROTEIN

(Capnocytophaga
ochracea) 		PF00756
(Esterase) 		4 TYR A 127
GLU A  24
TYR A 122
LEU A 119
 None
 1.38A 4twdF-4w9rA:
undetectable
4twdG-4w9rA:
undetectable		 4twdF-4w9rA:
20.73
4twdG-4w9rA:
20.73
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
 0.52A 4twdF-4yeuA:
29.6
4twdG-4yeuA:
29.6		 4twdF-4yeuA:
71.25
4twdG-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.
5aa4 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3)
PF01464
(SLT) 		4 GLU B  67
TYR B 126
LEU B 258
PHE B  66
 None
 1.28A 4twdF-5aa4B:
undetectable
4twdG-5aa4B:
undetectable		 4twdF-5aa4B:
20.29
4twdG-5aa4B:
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.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 TYR A 158
TYR A 150
LEU A 151
PHE A 120
 None
 1.06A 4twdF-5b8iA:
undetectable
4twdG-5b8iA:
undetectable		 4twdF-5b8iA:
22.66
4twdG-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.
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
 1.26A 4twdF-5c2wC:
undetectable
4twdG-5c2wC:
undetectable		 4twdF-5c2wC:
23.75
4twdG-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.
5c7i GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC

(Mus musculus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 TYR O 243
GLU O 439
TYR O 197
LEU O 432
 None
 1.36A 4twdF-5c7iO:
undetectable
4twdG-5c7iO:
undetectable		 4twdF-5c7iO:
20.29
4twdG-5c7iO:
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.
5e4s CONTACTIN-4

(Mus musculus) 		PF00041
(fn3) 		4 TYR A 670
ARG A 693
GLU A 726
PHE A 638
 None
 1.37A 4twdF-5e4sA:
undetectable
4twdG-5e4sA:
undetectable		 4twdF-5e4sA:
20.66
4twdG-5e4sA:
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.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 TYR A  68
TYR A 203
LEU A 200
PHE A 189
 None
 1.29A 4twdF-5e9uA:
undetectable
4twdG-5e9uA:
undetectable		 4twdF-5e9uA:
20.66
4twdG-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
 1.16A 4twdF-5fwjA:
undetectable
4twdG-5fwjA:
1.2		 4twdF-5fwjA:
20.09
4twdG-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.
5h1q INNEXIN-6

(Caenorhabditis
elegans) 		PF00876
(Innexin) 		4 TYR A 219
GLU A 274
LEU A 213
PHE A 277
 None
 1.31A 4twdF-5h1qA:
2.7
4twdG-5h1qA:
undetectable		 4twdF-5h1qA:
23.13
4twdG-5h1qA:
23.13
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.
5h1q INNEXIN-6

(Caenorhabditis
elegans) 		PF00876
(Innexin) 		4 TYR A 219
GLU A 274
TYR A 104
LEU A 213
 None
 1.18A 4twdF-5h1qA:
2.7
4twdG-5h1qA:
undetectable		 4twdF-5h1qA:
23.13
4twdG-5h1qA:
23.13
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
UBIQUITIN VARIANT
NL.1

(Homo sapiens) 		PF00240
(ubiquitin)
PF00632
(HECT) 		4 GLU A 654
TYR A 660
LEU B  73
PHE A 608
 None
 1.15A 4twdF-5hpkA:
undetectable
4twdG-5hpkA:
undetectable		 4twdF-5hpkA:
21.95
4twdG-5hpkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4a ARGONAUTE PROTEIN

(Marinitoga
piezophila) 		no annotation 4 TYR A 442
TYR A 500
LEU A 470
PHE A 504
 None
 1.23A 4twdF-5i4aA:
undetectable
4twdG-5i4aA:
undetectable		 4twdF-5i4aA:
16.49
4twdG-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.
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
 1.30A 4twdF-5kdjB:
undetectable
4twdG-5kdjB:
undetectable		 4twdF-5kdjB:
17.31
4twdG-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
 1.30A 4twdF-5kdsA:
undetectable
4twdG-5kdsA:
undetectable		 4twdF-5kdsA:
18.58
4twdG-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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		4 GLU A 370
TYR A 322
LEU A 325
PHE A 303
 None
 1.35A 4twdF-5kjaA:
undetectable
4twdG-5kjaA:
undetectable		 4twdF-5kjaA:
20.24
4twdG-5kjaA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kx6 GALACTOSIDE
2-ALPHA-L-FUCOSYLTRA
NSFERASE

(Arabidopsis
thaliana) 		PF03254
(XG_FTase) 		4 GLU A 140
TYR A 334
LEU A 335
PHE A 219
 None
 1.33A 4twdF-5kx6A:
undetectable
4twdG-5kx6A:
undetectable		 4twdF-5kx6A:
19.18
4twdG-5kx6A:
19.18
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.
5l75 FIG000906: PREDICTED
PERMEASE
LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF03739
(YjgP_YjgQ)
PF12399
(BCA_ABC_TP_C) 		4 GLU G  88
TYR G  10
LEU G   7
PHE A  90
 None
 1.25A 4twdF-5l75G:
undetectable
4twdG-5l75G:
2.0		 4twdF-5l75G:
22.49
4twdG-5l75G:
22.49
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.
5mx2 PHOTOSYSTEM II 12
KDA EXTRINSIC
PROTEIN

(Thermosynechococcus
elongatus) 		PF06514
(PsbU) 		4 TYR U  21
ARG U  97
LEU U  27
PHE U  35
 None
 1.15A 4twdF-5mx2U:
undetectable
4twdG-5mx2U:
undetectable		 4twdF-5mx2U:
16.45
4twdG-5mx2U:
16.45
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.
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
 1.06A 4twdF-5nd5A:
undetectable
4twdG-5nd5A:
undetectable		 4twdF-5nd5A:
15.91
4twdG-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.
5nmi CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		4 TYR D 115
ARG D 191
GLU D 197
TYR C  81
 None
 1.31A 4twdF-5nmiD:
undetectable
4twdG-5nmiD:
undetectable		 4twdF-5nmiD:
19.87
4twdG-5nmiD:
19.87
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.
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
 1.06A 4twdF-5oqmo:
undetectable
4twdG-5oqmo:
undetectable		 4twdF-5oqmo:
12.93
4twdG-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
 0.96A 4twdF-5svaX:
2.1
4twdG-5svaX:
undetectable		 4twdF-5svaX:
16.27
4twdG-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.
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
 1.08A 4twdF-5v4nC:
2.5
4twdG-5v4nC:
2.3		 4twdF-5v4nC:
19.46
4twdG-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
 1.22A 4twdF-5v9pA:
undetectable
4twdG-5v9pA:
0.8		 4twdF-5v9pA:
16.69
4twdG-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.
5wc8 SIAD

(Mannheimia
haemolytica) 		no annotation 4 GLU M 380
TYR M 371
LEU M 366
PHE M 376
 None
 1.30A 4twdF-5wc8M:
undetectable
4twdG-5wc8M:
undetectable		 4twdF-5wc8M:
21.90
4twdG-5wc8M:
21.90
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 GLU A 232
TYR A 192
LEU A 188
PHE A 238
 None
 1.32A 4twdF-5xblA:
2.2
4twdG-5xblA:
undetectable		 4twdF-5xblA:
11.54
4twdG-5xblA:
11.54
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.
5xi0 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aliivibrio
fischeri) 		no annotation 4 TYR A 225
GLU A 338
TYR A 287
LEU A 230
 None
 1.33A 4twdF-5xi0A:
undetectable
4twdG-5xi0A:
undetectable		 4twdF-5xi0A:
11.73
4twdG-5xi0A:
11.73
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 TYR A 264
TYR A 320
LEU A 271
PHE A 388
 None
 1.12A 4twdF-5yknA:
undetectable
4twdG-5yknA:
undetectable		 4twdF-5yknA:
11.60
4twdG-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.
5zwp GLUTATHIONE
S-TRANSFERASE 1

(Musca domestica) 		no annotation 4 ARG A  13
GLU A 167
TYR A 183
LEU A 160
 None
 1.40A 4twdF-5zwpA:
2.2
4twdG-5zwpA:
undetectable		 4twdF-5zwpA:
14.13
4twdG-5zwpA:
14.13
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.
5zzn -

(-) 		no annotation 4 TYR U  21
ARG U  97
LEU U  27
PHE U  35
 None
DMS  U 202 (-3.8A)
None
None
 1.10A 4twdF-5zznU:
undetectable
4twdG-5zznU:
undetectable		 4twdF-5zznU:
undetectable
4twdG-5zznU:
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.
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
 1.20A 4twdF-6bgzA:
undetectable
4twdG-6bgzA:
undetectable		 4twdF-6bgzA:
13.09
4twdG-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.
6d14 TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Danio rerio) 		no annotation 4 ARG A 634
GLU A 629
TYR A 528
LEU A 515
 None
 1.11A 4twdF-6d14A:
2.7
4twdG-6d14A:
1.6		 4twdF-6d14A:
15.36
4twdG-6d14A:
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.
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
 1.18A 4twdF-6ek6A:
undetectable
4twdG-6ek6A:
1.1		 4twdF-6ek6A:
11.19
4twdG-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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 ARG I  17
GLU I  50
TYR I  12
LEU I 328
 None
 1.36A 4twdF-6esqI:
undetectable
4twdG-6esqI:
undetectable		 4twdF-6esqI:
13.68
4twdG-6esqI:
13.68