SIMILAR PATTERNS OF AMINO ACIDS FOR 3TWP_A_SALA404

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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)

(Bacillus
megaterium) 		PF00258
(Flavodoxin_1) 		4 ASN F 543
ALA F 544
PRO F 541
ALA F 493
 None
None
None
FMN  F1002 (-3.4A)
 1.09A 3twpA-1bvyF:
undetectable		 3twpA-1bvyF:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A  36
PRO A 398
TYR A 402
ARG A 400
ALA A 347
 None
 1.37A 3twpA-1cg2A:
undetectable		 3twpA-1cg2A:
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASN A 292
ALA A 326
PRO A 325
ALA A 367
 None
 1.10A 3twpA-1cg2A:
undetectable		 3twpA-1cg2A:
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.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		4 ASN A 417
ALA A 316
ARG A 421
ARG A 426
 None
 1.07A 3twpA-1hg4A:
undetectable		 3twpA-1hg4A:
21.63
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ALA A 386
PRO A 387
TYR A 298
ALA A 407
 None
 1.10A 3twpA-1j0nA:
2.1		 3twpA-1j0nA:
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.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		4 ALA A 621
ARG A 648
ALA A 652
ARG A 655
 None
 0.95A 3twpA-1jj7A:
undetectable		 3twpA-1jj7A:
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.
1lss TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02254
(TrkA_N) 		4 ASN A  79
ALA A  96
TYR A  69
ALA A   6
 None
 1.16A 3twpA-1lssA:
4.3		 3twpA-1lssA:
17.07
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.
1okc ADP, ATP CARRIER
PROTEIN HEART
ISOFORM T1

(Bos taurus) 		PF00153
(Mito_carr) 		4 ASN A  76
ALA A  75
ARG A 139
ALA A 141
 None
 1.01A 3twpA-1okcA:
undetectable		 3twpA-1okcA:
21.22
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ASN A 270
ALA A 273
PRO A 272
ALA A  64
 None
 1.08A 3twpA-1u08A:
undetectable		 3twpA-1u08A:
23.58
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ALA A 113
TYR A 109
ARG A  76
ALA A  71
 None
 1.04A 3twpA-1w93A:
undetectable		 3twpA-1w93A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 ASN 1   4
ALA 1  30
PRO 1  29
TYR 1  27
 None
 0.80A 3twpA-1y791:
2.7		 3twpA-1y791:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ASN A 109
ALA A 150
ARG A 158
ALA A 161
 None
 0.71A 3twpA-2elcA:
46.4		 3twpA-2elcA:
39.95
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.
2f8q ALKALINE
THERMOSTABLE
ENDOXYLANASE

(Bacillus sp.
NG-27) 		PF00331
(Glyco_hydro_10) 		4 ALA A 335
TYR A 265
ARG A 323
ALA A 324
 None
 1.08A 3twpA-2f8qA:
undetectable		 3twpA-2f8qA:
21.76
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 344
PRO A 343
ARG A 451
ARG A 324
 None
None
NAD  A5555 (-4.1A)
None
 1.11A 3twpA-2fknA:
3.0		 3twpA-2fknA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2foi ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 ASN A 218
ALA A 219
ALA A 322
ARG A 318
 NAD  A 450 (-4.1A)
JPA  A 500 (-4.0A)
None
None
 1.07A 3twpA-2foiA:
undetectable		 3twpA-2foiA:
18.13
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.
2hq8 COELENTERAZINE-BINDI
NG PROTEIN CA-BOUND
APO FORM

(Renilla
muelleri) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 ALA A  40
ARG A  63
ALA A  65
ARG A  33
 None
 1.00A 3twpA-2hq8A:
undetectable		 3twpA-2hq8A:
17.43
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ALA A 385
TYR A 595
ARG A 382
ARG A 436
 None
 1.10A 3twpA-2hz7A:
2.3		 3twpA-2hz7A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iiz MELANIN BIOSYNTHESIS
PROTEIN TYRA,
PUTATIVE

(Shewanella
oneidensis) 		PF04261
(Dyp_perox) 		4 ASN A  68
ALA A  67
PRO A  84
ALA A  97
 None
 0.85A 3twpA-2iizA:
undetectable		 3twpA-2iizA:
20.58
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		4 ALA A 383
ARG A 389
ALA A 343
ARG A 341
 None
 1.11A 3twpA-2ijzA:
undetectable		 3twpA-2ijzA:
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.
2kbf ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		4 ASN A 388
ALA A 338
PRO A 408
ALA A 411
 None
 0.91A 3twpA-2kbfA:
2.0		 3twpA-2kbfA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ALA A 558
TYR A 560
ARG A 616
ALA A 619
 None
 1.16A 3twpA-2p2mA:
undetectable		 3twpA-2p2mA:
20.88
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.
2pfc HYPOTHETICAL PROTEIN
RV0098/MT0107

(Mycobacterium
tuberculosis) 		PF10862
(FcoT) 		4 ALA A  93
PRO A  92
TYR A 110
ARG A  28
 None
 0.94A 3twpA-2pfcA:
undetectable		 3twpA-2pfcA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qsv UNCHARACTERIZED
PROTEIN

(Porphyromonas
gingivalis) 		PF07610
(DUF1573) 		4 ALA A 161
PRO A 160
ARG A 158
ALA A 198
 None
None
None
SO4  A 221 ( 3.6A)
 1.15A 3twpA-2qsvA:
undetectable		 3twpA-2qsvA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		4 ALA A 283
TYR A 281
ARG A 250
ALA A 253
 None
 1.15A 3twpA-2v26A:
undetectable		 3twpA-2v26A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 348
PRO A 347
ARG A 455
ARG A 328
 None
None
NAD  A3001 (-4.0A)
None
 1.14A 3twpA-2v7gA:
undetectable		 3twpA-2v7gA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vyi SGTA PROTEIN

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8) 		4 ALA A 157
PRO A 156
TYR A 158
ALA A 125
 None
 1.12A 3twpA-2vyiA:
undetectable		 3twpA-2vyiA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwx GLCNAC-BINDING
PROTEIN A

(Vibrio cholerae) 		PF03067
(LPMO_10) 		4 ASN A 258
ALA A 257
PRO A 219
ARG A 100
 None
 0.97A 3twpA-2xwxA:
undetectable		 3twpA-2xwxA:
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 ALA A 416
PRO A 417
ARG A 381
ALA A 198
 None
 1.15A 3twpA-2xymA:
undetectable		 3twpA-2xymA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		4 ASN A  52
PRO A 289
TYR A 292
ARG A  81
 AMP  A 501 (-3.3A)
None
None
None
 1.12A 3twpA-3b1rA:
5.8		 3twpA-3b1rA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		4 ASN A 277
ALA A 267
ARG A 303
ALA A 300
 None
 1.15A 3twpA-3b40A:
undetectable		 3twpA-3b40A:
23.04
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.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		4 ALA A 130
PRO A 131
ARG A 371
ALA A 361
 None
 0.79A 3twpA-3eleA:
2.0		 3twpA-3eleA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Mus musculus;
Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		4 ALA A3396
TYR A3400
ARG A3362
ALA A3354
 None
 1.12A 3twpA-3errA:
undetectable		 3twpA-3errA:
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.
3gg4 GLYCEROL KINASE

(Yersinia
pseudotuberculosis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASN A 122
ALA A 118
ARG A 388
ALA A 392
 None
 0.93A 3twpA-3gg4A:
undetectable		 3twpA-3gg4A:
22.71
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		4 ASN A 251
ALA A 250
ARG A  62
ALA A 272
 None
 1.14A 3twpA-3go7A:
7.0		 3twpA-3go7A:
27.53
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ALA A  63
TYR A  58
ALA A 103
ARG A 136
 None
 1.10A 3twpA-3gwjA:
undetectable		 3twpA-3gwjA:
17.77
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 ASN A 122
ALA A 121
ALA A  91
ARG A  93
 None
None
NDP  A 326 ( 4.9A)
None
 0.89A 3twpA-3ingA:
4.1		 3twpA-3ingA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		4 ASN A 227
ALA A 232
ARG A 269
ALA A 265
 None
 0.98A 3twpA-3ivuA:
undetectable		 3twpA-3ivuA:
23.88
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.
3j1u CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1, SERYL
T-RNA SYNTHETASE
CHIMERA

(Mus musculus) 		PF12777
(MT) 		4 ALA A3396
TYR A3400
ARG A3362
ALA A3354
 None
 1.13A 3twpA-3j1uA:
undetectable		 3twpA-3j1uA:
15.61
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 ASN A 271
PRO A 335
TYR A 332
ARG A 185
ALA A 239
 None
 1.30A 3twpA-3jzdA:
undetectable		 3twpA-3jzdA:
26.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A 327
ALA A 325
TYR A 316
ALA A  79
 None
 1.00A 3twpA-3k5pA:
2.7		 3twpA-3k5pA:
23.49
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		4 ASN A 195
ALA A 155
ALA A 112
ARG A 116
 None
 1.08A 3twpA-3ktcA:
undetectable		 3twpA-3ktcA:
23.61
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.
3lmf UNCHARACTERIZED
PROTEIN

(Nitrosospira
multiformis) 		no annotation 4 ALA A  83
ARG A 102
ALA A 105
ARG A 109
 None
 1.15A 3twpA-3lmfA:
undetectable		 3twpA-3lmfA:
15.12
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.
3nh9 ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
6, MITOCHONDRIAL

(Homo sapiens) 		PF00005
(ABC_tran) 		4 TYR A 716
ARG A 717
ALA A 681
ARG A 685
 None
 1.13A 3twpA-3nh9A:
undetectable		 3twpA-3nh9A:
21.85
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.
3njp EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ASN A  86
ALA A  62
ARG A 231
ALA A 265
 None
 0.96A 3twpA-3njpA:
undetectable		 3twpA-3njpA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ouu BIOTIN CARBOXYLASE

(Campylobacter
jejuni) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ALA A  46
TYR A  42
ARG A  20
ALA A  15
 None
 1.02A 3twpA-3ouuA:
2.6		 3twpA-3ouuA:
22.60
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 4 ASN A 585
ALA A 531
PRO A 530
ALA A 444
 None
 1.04A 3twpA-3phfA:
undetectable		 3twpA-3phfA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		4 ASN A 255
PRO A 232
ARG A 234
ALA A 237
 None
 1.04A 3twpA-3sg1A:
undetectable		 3twpA-3sg1A:
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 ALA A 194
PRO A  94
TYR A  96
ARG A 234
 None
 1.09A 3twpA-3vvdA:
undetectable		 3twpA-3vvdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		4 ASN A 145
ALA A 147
ARG A  85
ALA A  54
 None
 1.02A 3twpA-3x43A:
undetectable		 3twpA-3x43A:
24.59
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 ASN A 255
PRO A 232
ARG A 234
ALA A 237
 None
 0.90A 3twpA-3zh4A:
undetectable		 3twpA-3zh4A:
22.93
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		4 ALA A 283
TYR A 281
ARG A 250
ALA A 253
 None
 1.16A 3twpA-4anjA:
undetectable		 3twpA-4anjA:
16.22
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ALA A 151
ARG A 174
ALA A 178
ARG A 182
 None
 1.10A 3twpA-4c2tA:
undetectable		 3twpA-4c2tA:
20.78
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.
4c9g ADP, ATP CARRIER
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00153
(Mito_carr) 		4 ASN A  93
ALA A  92
ARG A 154
ALA A 156
 ASN  A  93 ( 0.6A)
ALA  A  92 ( 0.0A)
ARG  A 154 ( 0.6A)
ALA  A 156 ( 0.0A)
 0.91A 3twpA-4c9gA:
undetectable		 3twpA-4c9gA:
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		4 PRO A  19
TYR A  45
ALA A  27
ARG A  31
 None
 1.00A 3twpA-4ffcA:
undetectable		 3twpA-4ffcA:
26.11
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 4 ALA A 296
PRO A 297
ARG A 284
ALA A 279
 None
None
HEM  A 501 ( 4.6A)
None
 0.98A 3twpA-4g2cA:
undetectable		 3twpA-4g2cA:
24.17
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 ALA A 152
TYR A 311
ARG A 176
ALA A 179
 None
None
None
AI9  A 402 ( 4.7A)
 0.95A 3twpA-4g3mA:
undetectable		 3twpA-4g3mA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 ASN A 249
ALA A 237
ALA A  97
ARG A 101
 ASN  A 249 ( 0.6A)
ALA  A 237 ( 0.0A)
ALA  A  97 ( 0.0A)
ARG  A 101 ( 0.6A)
 0.80A 3twpA-4hneA:
undetectable		 3twpA-4hneA:
21.20
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.
4hs4 CHROMATE REDUCTASE

(Komagataeibacter
hansenii) 		PF03358
(FMN_red) 		4 ALA A  33
PRO A  34
ALA A 181
ARG A 185
 None
 1.01A 3twpA-4hs4A:
2.2		 3twpA-4hs4A:
23.82
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ALA B  62
TYR B  57
ALA B 102
ARG B 135
 None
 1.10A 3twpA-4l37B:
2.2		 3twpA-4l37B:
17.97
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ALA A  59
TYR A  54
ALA A  99
ARG A 132
 None
 1.16A 3twpA-4l37A:
undetectable		 3twpA-4l37A:
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		4 ASN X 146
ALA X 148
ARG X  84
ALA X  53
 None
 1.06A 3twpA-4li3X:
undetectable		 3twpA-4li3X:
24.05
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ASN A 218
ALA A  66
ALA A  61
ARG A  29
 None
 1.03A 3twpA-4lihA:
3.3		 3twpA-4lihA:
24.81
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		4 ASN A 672
ALA A 674
TYR A 654
ARG A 682
 None
 1.13A 3twpA-4n3nA:
undetectable		 3twpA-4n3nA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 ALA A 222
PRO A 223
ARG A 310
ALA A 312
 None
 0.74A 3twpA-4oe5A:
2.8		 3twpA-4oe5A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pue ENDO-1,4-BETA-XYLANA
SE

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		4 ALA A 358
TYR A 271
ARG A 328
ALA A 329
 None
None
XYP  A 401 (-3.3A)
None
 0.99A 3twpA-4pueA:
undetectable		 3twpA-4pueA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ALA A 579
ARG A 511
ALA A 620
ARG A 624
 None
None
None
SO4  A2003 (-4.8A)
 1.12A 3twpA-4q73A:
3.5		 3twpA-4q73A:
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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		4 ASN A 295
PRO A 292
TYR A 223
ALA A 226
 None
None
SO4  A 416 (-4.7A)
None
 0.92A 3twpA-4qb7A:
undetectable		 3twpA-4qb7A:
18.05
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.
4r0s PROTEIN TYROSINE
PHOSPHATASE TPBA

(Pseudomonas
aeruginosa) 		PF03162
(Y_phosphatase2) 		4 ALA A 144
TYR A 179
ARG A 181
ALA A 183
 None
 1.15A 3twpA-4r0sA:
undetectable		 3twpA-4r0sA:
23.78
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 ASN A  92
ALA A  94
ALA A 135
ARG A 139
 None
 1.16A 3twpA-4wd1A:
undetectable		 3twpA-4wd1A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wny UNIVERSAL STRESS
PROTEIN

(Burkholderia
pseudomallei) 		PF00582
(Usp) 		4 ALA A   8
ARG A  85
ALA A 103
ARG A  99
 None
 1.03A 3twpA-4wnyA:
2.5		 3twpA-4wnyA:
20.21
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		4 ALA A 332
PRO A 333
ARG A 299
ALA A 318
 None
 1.11A 3twpA-4x1zA:
undetectable		 3twpA-4x1zA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ALA A 144
TYR A 152
ARG A 193
ALA A 156
 None
 1.10A 3twpA-4xkmA:
undetectable		 3twpA-4xkmA:
22.37
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 4 ASN A 598
ALA A 603
PRO A 605
ARG A 571
 None
 1.08A 3twpA-4y9vA:
undetectable		 3twpA-4y9vA:
21.31
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 ALA A 202
ARG A 243
ALA A 246
ARG A 250
 None
 0.93A 3twpA-5b1uA:
undetectable		 3twpA-5b1uA:
23.21
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.
5c3l NUCLEOPORIN NUP58

(Xenopus laevis) 		PF15967
(Nucleoporin_FG2) 		4 ASN B 373
ALA B 375
PRO B 376
ALA B 359
 None
 0.96A 3twpA-5c3lB:
undetectable		 3twpA-5c3lB:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d76 PUTATIVE PHAGE LYSIN

(Streptococcus
phage phi7917) 		PF05257
(CHAP)
PF08460
(SH3_5) 		4 ASN A  74
ALA A  73
ALA A  47
ARG A  35
 None
 1.14A 3twpA-5d76A:
undetectable		 3twpA-5d76A:
20.37
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ASN A 597
ALA A 551
TYR A 569
ALA A 579
 None
 0.95A 3twpA-5e9aA:
undetectable		 3twpA-5e9aA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		4 ASN A 113
ALA A  99
ARG A 109
ALA A  87
 None
 1.05A 3twpA-5egnA:
undetectable		 3twpA-5egnA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ev7 CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 ASN A 399
PRO A 402
ALA A 411
ARG A 416
 None
 1.14A 3twpA-5ev7A:
undetectable		 3twpA-5ev7A:
18.91
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.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		4 ALA A 542
PRO A 541
TYR A 540
ARG A 538
 None
 0.98A 3twpA-5fbuA:
2.3		 3twpA-5fbuA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		4 ASN A 167
ALA A 169
ARG A 155
ARG A 164
 None
 1.12A 3twpA-5jbwA:
undetectable		 3twpA-5jbwA:
25.95
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.
5jjo UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08238
(Sel1) 		4 ASN A 128
ALA A 123
TYR A 120
ALA A 154
 None
 0.98A 3twpA-5jjoA:
undetectable		 3twpA-5jjoA:
22.85
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.
5jjp NONRIBOSOMAL PEPTIDE
SYNTHASE

(Streptomyces
sp. MJ635-86F5) 		PF00501
(AMP-binding) 		4 ALA A 373
PRO A 372
ARG A 370
ALA A 342
 None
 1.08A 3twpA-5jjpA:
undetectable		 3twpA-5jjpA:
23.45
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ALA A 642
ARG A 545
ALA A 683
ARG A 687
 None
 0.89A 3twpA-5kf7A:
2.7		 3twpA-5kf7A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kss 5'-NUCLEOTIDASE SURE

(Xylella
fastidiosa) 		PF01975
(SurE) 		4 ASN A   7
ALA A  34
PRO A  35
ALA A 109
 None
 1.13A 3twpA-5kssA:
4.1		 3twpA-5kssA:
23.18
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		4 ASN A  11
ALA A  37
PRO A  36
TYR A  34
 None
 0.94A 3twpA-5l44A:
2.2		 3twpA-5l44A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lva NAD(P)H-FMN
OXIDOREDUCTASE

(Bacillus
subtilis) 		PF02525
(Flavodoxin_2) 		4 ASN A 120
ALA A 113
TYR A 149
ALA A 107
 None
None
None
FMN  A 201 (-3.3A)
 1.03A 3twpA-5lvaA:
undetectable		 3twpA-5lvaA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 4 ALA A 143
TYR A 151
ARG A 192
ALA A 155
 None
 1.10A 3twpA-5nhbA:
undetectable		 3twpA-5nhbA:
22.81
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.
5ntf AMINOPEPTIDASE

(Trypanosoma
cruzi) 		PF00883
(Peptidase_M17) 		4 ASN A 217
PRO A 215
TYR A 176
ALA A 167
 None
 1.02A 3twpA-5ntfA:
2.2		 3twpA-5ntfA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ALA A 352
ARG A 549
ALA A 391
ARG A 398
 None
 1.11A 3twpA-5oljA:
2.1		 3twpA-5oljA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF12010
(DUF3502) 		4 ASN A 141
ALA A 149
PRO A 151
ALA A 321
 None
 1.10A 3twpA-5suoA:
undetectable		 3twpA-5suoA:
21.56
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.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		4 ASN A 127
ALA A 126
ALA A  54
ARG A 372
 None
 0.99A 3twpA-5txeA:
undetectable		 3twpA-5txeA:
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ASN A 307
ALA A 775
PRO A 774
ALA A 738
 None
 0.97A 3twpA-5u2gA:
undetectable		 3twpA-5u2gA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ALA A 819
TYR A 684
ARG A 604
ALA A 610
 None
 1.07A 3twpA-5v9xA:
undetectable		 3twpA-5v9xA:
11.78
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.
5vf4 UNCHARACTERIZED
PROTEIN

(Thermus
aquaticus) 		PF03781
(FGE-sulfatase) 		4 ASN A 218
ALA A  56
ARG A 376
ALA A 378
 None
 1.15A 3twpA-5vf4A:
undetectable		 3twpA-5vf4A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		4 ASN A 146
ALA A 148
ARG A  86
ALA A  55
 None
 1.07A 3twpA-5xa2A:
undetectable		 3twpA-5xa2A:
25.71
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7) 		4 ASN F 157
ALA F 159
ARG F 148
ALA F 151
 U  21283 ( 3.6A)
None
U  21283 ( 4.9A)
U  21283 ( 4.2A)
 1.10A 3twpA-5xyiF:
undetectable		 3twpA-5xyiF:
19.25
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 ASN A1946
ALA A1943
ARG A1904
ALA A1934
 None
 1.13A 3twpA-5yz0A:
undetectable		 3twpA-5yz0A:
12.46
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY
CRISPR-ASSOCIATED
PROTEIN, CSE4 FAMILY

(Thermobifida
fusca) 		no annotation 4 ALA B 297
PRO B 298
ALA M   9
ARG M   7
 None
 0.98A 3twpA-6c66B:
undetectable		 3twpA-6c66B:
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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 4 ALA A 183
TYR A 187
ALA A 112
ARG A 111
 None
 1.02A 3twpA-6cauA:
3.6		 3twpA-6cauA:
14.55