SIMILAR PATTERNS OF AMINO ACIDS FOR 3LN1_D_CELD682_1

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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 152
VAL A  68
GLY A  70
ALA A  69
LEU A  90
 1BH  A 300 ( 3.7A)
None
None
None
None
 1.03A 3ln1D-1bh6A:
undetectable		 3ln1D-1bh6A:
17.38
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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ALA A 152
VAL A  68
GLY A  70
ALA A  69
LEU A  90
 XE  A 281 ( 3.9A)
None
None
None
None
 1.03A 3ln1D-1c3lA:
undetectable		 3ln1D-1c3lA:
18.38
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.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 HIS A  57
VAL A  91
LEU A  95
GLY A  49
LEU A  78
 None
None
None
NAP  A 386 (-3.2A)
None
 1.06A 3ln1D-1civA:
0.0		 3ln1D-1civA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 HIS A 429
TYR A 430
LEU A  37
GLY A 278
LEU A 237
 None
 1.08A 3ln1D-1dj2A:
0.0		 3ln1D-1dj2A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 HIS A  90
GLN A 192
VAL A 349
SER A 353
TYR A 355
LEU A 359
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 None
None
SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.30A 3ln1D-1ebvA:
30.7		 3ln1D-1ebvA:
64.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg7 FORMYLTETRAHYDROFOLA
TE SYNTHETASE

(Moorella
thermoacetica) 		PF01268
(FTHFS) 		5 SER A1078
LEU A1096
ALA A1380
GLY A1415
ALA A1117
 None
 1.09A 3ln1D-1eg7A:
0.0		 3ln1D-1eg7A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 VAL A  59
LEU A  28
GLY A  39
ALA A  40
LEU A  36
 None
 1.08A 3ln1D-1i8dA:
0.0		 3ln1D-1i8dA:
15.01
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 182
ALA A 167
VAL A 235
GLY A  10
ALA A  82
 None
 0.95A 3ln1D-1j3nA:
0.0		 3ln1D-1j3nA:
20.07
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 237
LEU A 182
ALA A 167
ALA A  79
LEU A  83
 None
 1.00A 3ln1D-1j3nA:
0.0		 3ln1D-1j3nA:
20.07
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.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 VAL A 152
ALA A 126
VAL A 363
GLY A 361
LEU A 356
 None
None
None
None
HEM  A 410 ( 4.4A)
 1.01A 3ln1D-1jioA:
0.0		 3ln1D-1jioA:
20.43
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C  21
ALA C  46
GLY C  33
ALA C  32
LEU C  54
 None
None
FAD  C3932 (-3.4A)
FAD  C3932 (-3.5A)
None
 1.01A 3ln1D-1n61C:
undetectable		 3ln1D-1n61C:
18.75
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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 VAL A 226
TYR A 134
LEU A 238
VAL A 194
LEU A 220
 None
 0.93A 3ln1D-1nvtA:
undetectable		 3ln1D-1nvtA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p0n ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Bacillus
subtilis) 		PF01070
(FMN_dh) 		5 VAL A 183
LEU A 148
ALA A 132
GLY A 202
ALA A 201
 None
 1.02A 3ln1D-1p0nA:
undetectable		 3ln1D-1p0nA:
20.17
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.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 HIS A 125
LEU A 278
ALA A  56
ALA A  82
LEU A  50
 NAP  A 500 ( 4.8A)
NAP  A 500 (-4.0A)
None
None
None
 1.06A 3ln1D-1pz1A:
undetectable		 3ln1D-1pz1A:
19.86
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.
1q77 HYPOTHETICAL PROTEIN
AQ_178

(Aquifex
aeolicus) 		PF00582
(Usp) 		5 VAL A 102
LEU A   4
VAL A 123
GLY A 126
LEU A 129
 None
 0.98A 3ln1D-1q77A:
undetectable		 3ln1D-1q77A:
13.22
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.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 VAL A  46
ALA A  38
VAL A  14
GLY A  17
LEU A 219
 VAL  A  46 ( 0.6A)
ALA  A  38 ( 0.0A)
VAL  A  14 ( 0.6A)
GLY  A  17 ( 0.0A)
LEU  A 219 ( 0.6A)
 0.95A 3ln1D-1rrvA:
undetectable		 3ln1D-1rrvA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 VAL A 332
VAL A 173
GLY A 175
ALA A 174
LEU A 369
 None
None
OMN  A 601 (-3.6A)
None
OMN  A 601 (-3.7A)
 1.05A 3ln1D-1sezA:
undetectable		 3ln1D-1sezA:
21.51
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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 VAL A 337
SER A 335
LEU A 409
ALA A 438
GLY A 370
 None
None
None
FAD  A 600 (-3.7A)
OMN  A 601 (-3.5A)
 0.98A 3ln1D-1sezA:
undetectable		 3ln1D-1sezA:
21.51
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		6 SER A 714
LEU A 638
ALA A 679
VAL A 743
GLY A 740
ALA A 739
 None
 1.24A 3ln1D-1sj8A:
undetectable		 3ln1D-1sj8A:
19.28
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 LEU A  91
ALA A 218
GLY A 355
ALA A 357
LEU A 459
 None
 1.08A 3ln1D-1thgA:
1.2		 3ln1D-1thgA:
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  31
ALA A  59
GLY A 241
ALA A  22
LEU A 273
 None
 1.04A 3ln1D-1uaaA:
undetectable		 3ln1D-1uaaA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 VAL A 132
LEU A 175
ALA A 224
GLY A 115
ALA A 116
 None
 1.01A 3ln1D-1ufoA:
undetectable		 3ln1D-1ufoA:
17.18
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A  73
ALA A  62
GLY A  92
ALA A  91
LEU A 107
 None
None
SO4  A 319 (-3.6A)
None
None
 1.09A 3ln1D-1vhnA:
undetectable		 3ln1D-1vhnA:
19.58
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.
2aiz OUTER MEMBRANE
PROTEIN P6

(Haemophilus
influenzae) 		PF00691
(OmpA) 		5 VAL P  90
LEU P  49
GLY P  68
ALA P 130
LEU P 132
 None
 1.04A 3ln1D-2aizP:
undetectable		 3ln1D-2aizP:
11.36
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 VAL B  41
SER B  94
LEU A  19
GLY B 100
ALA B  99
 None
 1.06A 3ln1D-2bv8B:
undetectable		 3ln1D-2bv8B:
14.66
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 174
TRP A 223
ALA A  71
ALA A  87
LEU A  88
 None
 1.01A 3ln1D-2cb1A:
undetectable		 3ln1D-2cb1A:
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 196
LEU A 189
ALA A  90
GLY A 213
ALA A 214
 None
 0.96A 3ln1D-2cb1A:
undetectable		 3ln1D-2cb1A:
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
 None
 1.02A 3ln1D-2d0oA:
undetectable		 3ln1D-2d0oA:
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  97
ALA A 117
VAL A 163
GLY A   7
ALA A  61
 None
 1.08A 3ln1D-2ebdA:
0.3		 3ln1D-2ebdA:
17.91
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.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 SER A 160
LEU A 350
GLY A 190
ALA A 191
LEU A 364
 None
 1.03A 3ln1D-2fncA:
undetectable		 3ln1D-2fncA:
19.77
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 LEU A 297
ALA A  40
VAL A 234
GLY A 236
ALA A 235
 None
 1.08A 3ln1D-2ftpA:
undetectable		 3ln1D-2ftpA:
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A 165
VAL A  75
GLY A  77
ALA A  76
LEU A  98
 PMS  A 601 ( 3.8A)
None
None
None
None
 0.94A 3ln1D-2gkoA:
0.7		 3ln1D-2gkoA:
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.
2hfs MEVALONATE KINASE,
PUTATIVE

(Leishmania
major) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 242
ALA A 289
VAL A  19
ALA A  36
LEU A 164
 None
 0.98A 3ln1D-2hfsA:
undetectable		 3ln1D-2hfsA:
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.
2k4k GENERAL STRESS
PROTEIN 13

(Bacillus
subtilis) 		PF00575
(S1) 		5 ALA A  78
VAL A  35
GLY A  22
ALA A  23
LEU A  18
 None
 0.95A 3ln1D-2k4kA:
undetectable		 3ln1D-2k4kA:
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		5 ALA A 257
VAL A  16
GLY A  18
ALA A  19
LEU A  65
 None
 1.06A 3ln1D-2o5rA:
undetectable		 3ln1D-2o5rA:
22.51
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.
2qwt TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Mycolicibacterium
vanbaalenii) 		PF00440
(TetR_N) 		5 VAL A  47
LEU A  57
ALA A  10
GLY A  41
ALA A  40
 None
 0.91A 3ln1D-2qwtA:
undetectable		 3ln1D-2qwtA:
15.53
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.
2ru4 ARMADILLO REPEAT
PROTEIN, C-TERMINAL
FRAGMENT, MAII
ARMADILLO REPEAT
PROTEIN, N-TERMINAL
FRAGMENT, YIIM2

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 SER A 110
VAL B 123
GLY B 127
ALA B 128
LEU B 132
 None
 1.02A 3ln1D-2ru4A:
undetectable		 3ln1D-2ru4A:
11.87
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 659
ALA A 299
VAL A 437
GLY A 653
ALA A 654
 None
 0.91A 3ln1D-2wjvA:
undetectable		 3ln1D-2wjvA:
21.58
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 SER A 421
TRP A 579
GLY A 412
ALA A 413
LEU A 409
 None
 0.86A 3ln1D-2wskA:
undetectable		 3ln1D-2wskA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		5 LEU A  79
ALA A 148
VAL A  70
GLY A  72
ALA A  75
 None
 1.05A 3ln1D-2wsxA:
undetectable		 3ln1D-2wsxA:
22.89
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A 223
VAL A 235
GLY A 238
ALA A 241
LEU A 244
 None
 1.05A 3ln1D-2xgtA:
undetectable		 3ln1D-2xgtA:
21.61
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 ALA A 236
VAL A 214
GLY A 211
ALA A 210
LEU A 206
 None
 0.91A 3ln1D-2yr5A:
undetectable		 3ln1D-2yr5A:
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.
3bhq TRANSCRIPTIONAL
REGULATOR

(Mesorhizobium
japonicum) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 VAL A  48
LEU A  58
ALA A  10
GLY A  42
ALA A  41
 None
 1.04A 3ln1D-3bhqA:
undetectable		 3ln1D-3bhqA:
16.11
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A 166
VAL A  75
GLY A  77
ALA A  76
LEU A  99
 None
 1.03A 3ln1D-3d43A:
undetectable		 3ln1D-3d43A:
19.24
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.
3dhn NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacteroides
thetaiotaomicron) 		PF13460
(NAD_binding_10) 		5 VAL A  31
LEU A  25
VAL A  35
GLY A  11
ALA A  12
 None
 1.03A 3ln1D-3dhnA:
undetectable		 3ln1D-3dhnA:
15.37
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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		5 VAL A 236
LEU A 225
ALA A 110
GLY A 205
ALA A 206
 None
 1.03A 3ln1D-3f7wA:
undetectable		 3ln1D-3f7wA:
20.54
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.92A 3ln1D-3gdnA:
undetectable		 3ln1D-3gdnA:
21.42
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.
3i83 2-DEHYDROPANTOATE
2-REDUCTASE

(Methylococcus
capsulatus) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLN A 264
VAL A  80
GLY A  82
ALA A  83
LEU A  88
 None
 1.08A 3ln1D-3i83A:
undetectable		 3ln1D-3i83A:
19.59
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.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.04A 3ln1D-3ikfA:
undetectable		 3ln1D-3ikfA:
14.14
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 HIS A  96
TYR A 113
GLY A 266
ALA A 265
LEU A 261
 None
 1.04A 3ln1D-3iwaA:
undetectable		 3ln1D-3iwaA:
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.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A  49
SER A  51
GLY A  65
ALA A  66
LEU A  70
 None
 0.83A 3ln1D-3khnA:
undetectable		 3ln1D-3khnA:
15.21
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 155
LEU A 163
ALA A 171
GLY A 214
ALA A 215
 None
 0.90A 3ln1D-3mi9A:
undetectable		 3ln1D-3mi9A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 VAL A 310
LEU A 314
ALA A 295
GLY A 268
ALA A 269
 None
 1.05A 3ln1D-3pl2A:
0.6		 3ln1D-3pl2A:
20.99
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
 None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
 0.96A 3ln1D-3redA:
undetectable		 3ln1D-3redA:
21.14
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.
3ujp MN TRANSPORTER
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		5 VAL A 128
SER A 130
ALA A 172
VAL A  57
ALA A 104
 None
 1.08A 3ln1D-3ujpA:
undetectable		 3ln1D-3ujpA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 LEU A 232
TRP A 256
ALA A 221
VAL A 132
GLY A 244
 None
 1.08A 3ln1D-3vovA:
undetectable		 3ln1D-3vovA:
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 5 SER A 392
ALA A  59
VAL A 396
GLY A 415
LEU A 506
 HEM  A 701 ( 4.1A)
None
None
None
HEM  A 701 (-4.6A)
 1.04A 3ln1D-4b2nA:
undetectable		 3ln1D-4b2nA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4u BIFUNCTIONAL PROTEIN
FOLD

(Acinetobacter
baumannii) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 VAL A 257
ALA A 253
VAL A 227
GLY A 207
ALA A 229
 EDO  A1286 ( 4.9A)
None
None
None
None
 1.01A 3ln1D-4b4uA:
undetectable		 3ln1D-4b4uA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c8g 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF02542
(YgbB) 		5 VAL A  96
SER A  98
GLY A   6
ALA A  49
LEU A  50
 None
 1.08A 3ln1D-4c8gA:
undetectable		 3ln1D-4c8gA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		5 VAL A 258
LEU A 300
VAL A 238
GLY A 241
LEU A 288
 None
 1.06A 3ln1D-4d2jA:
undetectable		 3ln1D-4d2jA:
22.50
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 VAL A 310
LEU A 391
ALA A 399
GLY A 343
LEU A 321
 None
 1.09A 3ln1D-4egvA:
undetectable		 3ln1D-4egvA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 VAL A 165
LEU A  61
ALA A 184
GLY A 112
LEU A 118
 None
 1.09A 3ln1D-4iheA:
undetectable		 3ln1D-4iheA:
20.60
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.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL E 499
SER E 515
ALA E 512
GLY E 502
LEU E 467
 None
 1.07A 3ln1D-4iw4E:
undetectable		 3ln1D-4iw4E:
17.69
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.
4jb1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 TYR A 165
LEU A 245
ALA A 131
GLY A 276
ALA A 275
 None
None
NAP  A 402 ( 3.3A)
None
None
 1.03A 3ln1D-4jb1A:
undetectable		 3ln1D-4jb1A:
21.26
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 VAL A 253
LEU A 227
GLY A 246
ALA A 245
LEU A 241
 None
 1.07A 3ln1D-4kl0A:
undetectable		 3ln1D-4kl0A:
22.15
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.
4ky9 BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		5 GLN A  62
VAL A 267
LEU A 269
ALA A 132
LEU A 136
 None
 1.03A 3ln1D-4ky9A:
undetectable		 3ln1D-4ky9A:
18.92
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 TYR A 209
LEU A 204
ALA A 216
GLY A 234
LEU A 238
 None
MFK  A 401 (-4.6A)
None
MFK  A 401 ( 3.9A)
MFK  A 401 (-4.6A)
 0.84A 3ln1D-4mfzA:
0.9		 3ln1D-4mfzA:
20.40
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.
4nng 30S RIBOSOMAL
PROTEIN S1

(Mycobacterium
tuberculosis) 		PF00575
(S1) 		5 ALA A 365
VAL A 321
GLY A 308
ALA A 309
LEU A 304
 None
 1.04A 3ln1D-4nngA:
undetectable		 3ln1D-4nngA:
15.88
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.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 SER B 390
LEU B 351
TRP A 180
GLY B 260
ALA B 261
 None
 1.05A 3ln1D-4pelB:
undetectable		 3ln1D-4pelB:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 HIS A  90
GLN A 193
VAL A 350
SER A 354
TYR A 356
LEU A 360
TRP A 388
ALA A 517
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 None
None
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
None
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.32A 3ln1D-4ph9A:
63.8		 3ln1D-4ph9A:
99.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 VAL A1006
LEU A 524
VAL A 967
GLY A 969
ALA A 968
 None
 0.94A 3ln1D-4pj6A:
undetectable		 3ln1D-4pj6A:
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
 0.90A 3ln1D-4q38A:
undetectable		 3ln1D-4q38A:
19.76
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.
4qt8 MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		no annotation 5 VAL B  72
LEU B  81
ALA B  92
GLY B  53
ALA B  51
 None
 1.09A 3ln1D-4qt8B:
undetectable		 3ln1D-4qt8B:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1s CINNAMOYL COA
REDUCTASE

(Petunia x
hybrida) 		PF01370
(Epimerase) 		5 VAL A  33
LEU A  27
VAL A  37
GLY A  13
ALA A  14
 None
None
None
NAP  A 401 ( 3.9A)
None
 1.08A 3ln1D-4r1sA:
undetectable		 3ln1D-4r1sA:
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 GLN A 176
VAL A 169
GLY A 229
ALA A 232
LEU A 154
 None
 1.01A 3ln1D-4r86A:
undetectable		 3ln1D-4r86A:
20.27
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		5 LEU A 209
ALA A  95
VAL A  82
GLY A  80
ALA A  79
 None
 1.04A 3ln1D-4rncA:
undetectable		 3ln1D-4rncA:
17.37
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.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		5 VAL A 309
ALA A  28
VAL A  41
GLY A  74
ALA A  42
 NA  A1340 (-3.7A)
None
None
None
None
 0.93A 3ln1D-4us5A:
undetectable		 3ln1D-4us5A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  98
ALA A 122
VAL A 164
GLY A   7
ALA A  62
 None
 1.00A 3ln1D-4z19A:
undetectable		 3ln1D-4z19A:
17.80
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.
4zqb NADP-DEPENDENT
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF02826
(2-Hacid_dh_C) 		5 VAL A 176
ALA A 180
GLY A 149
ALA A 150
LEU A 154
 None
 0.74A 3ln1D-4zqbA:
undetectable		 3ln1D-4zqbA:
19.63
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		6 SER A 111
LEU A 391
ALA A 116
VAL A 138
GLY A 135
ALA A 134
 None
 1.40A 3ln1D-4zqgA:
undetectable		 3ln1D-4zqgA:
21.82
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		5 LEU A 428
ALA A 366
VAL A 332
ALA A 336
LEU A 340
 None
None
None
SRT  A1568 (-4.3A)
EDO  A1577 (-4.5A)
 1.09A 3ln1D-5a29A:
undetectable		 3ln1D-5a29A:
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 VAL A 327
ALA A 331
GLY A 308
ALA A 309
LEU A 313
 None
 1.03A 3ln1D-5a4jA:
undetectable		 3ln1D-5a4jA:
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.
5dbn ACETATE
COA-TRANSFERASE
SUBUNIT BETA

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 VAL B  21
LEU B  43
VAL B  11
ALA B  12
LEU B  35
 None
 1.06A 3ln1D-5dbnB:
undetectable		 3ln1D-5dbnB:
17.78
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 VAL A 428
SER A 209
LEU A 459
ALA A 120
GLY A 215
 None
 1.06A 3ln1D-5dj4A:
undetectable		 3ln1D-5dj4A:
20.81
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLN A 375
LEU A 290
GLY A 305
ALA A 304
LEU A 282
 None
 1.02A 3ln1D-5dotA:
undetectable		 3ln1D-5dotA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 VAL A 425
ALA A 513
GLY A 535
ALA A 742
LEU A 743
 None
 0.95A 3ln1D-5dotA:
undetectable		 3ln1D-5dotA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dus ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.93A 3ln1D-5dusA:
undetectable		 3ln1D-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ALA A 158
VAL A  72
GLY A  74
ALA A  73
LEU A  91
 None
None
5VV  A   1 ( 4.8A)
None
None
 0.93A 3ln1D-5fbzA:
0.6		 3ln1D-5fbzA:
19.26
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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ALA A 265
VAL A  76
GLY A  74
ALA A  73
LEU A  33
 None
None
5VV  A   1 ( 4.8A)
None
None
 1.08A 3ln1D-5fbzA:
0.6		 3ln1D-5fbzA:
19.26
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		5 ALA A 167
VAL A  76
GLY A  78
ALA A  77
LEU A 100
 None
 1.00A 3ln1D-5ffnA:
undetectable		 3ln1D-5ffnA:
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		5 VAL A 149
LEU A  90
ALA A 341
GLY A  76
LEU A  84
 None
 1.00A 3ln1D-5gk2A:
undetectable		 3ln1D-5gk2A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 LEU A 220
ALA A  95
GLY A 173
ALA A 174
LEU A 200
 None
 1.08A 3ln1D-5gw8A:
undetectable		 3ln1D-5gw8A:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 HIS A  90
GLN A 192
VAL A 349
SER A 353
TYR A 355
LEU A 359
TRP A 387
ALA A 516
VAL A 523
GLY A 526
ALA A 527
LEU A 531
 None
None
ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
None
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
 0.31A 3ln1D-5ikrA:
34.1		 3ln1D-5ikrA:
88.07
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		5 VAL A 313
LEU A 124
ALA A 309
VAL A 281
LEU A 147
 None
 1.08A 3ln1D-5l8vA:
undetectable		 3ln1D-5l8vA:
15.97
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.
5v41 POLYKETIDE SYNTHASE
PKS13 (TERMINATION
POLYKETIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF00975
(Thioesterase) 		5 HIS A1714
VAL A1655
LEU A1690
ALA A1718
GLY A1531
 None
 1.08A 3ln1D-5v41A:
undetectable		 3ln1D-5v41A:
19.76
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 VAL A 434
LEU A 303
VAL A 463
GLY A 476
ALA A 477
 None
 1.08A 3ln1D-5xilA:
undetectable		 3ln1D-5xilA:
8.80
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 ALA A 565
VAL A 540
GLY A 538
ALA A 537
LEU A 586
 None
 1.06A 3ln1D-5y09A:
undetectable		 3ln1D-5y09A:
23.87
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 ALA A 160
VAL A  77
GLY A  80
ALA A  81
LEU A  85
 None
 0.69A 3ln1D-5yvsA:
undetectable		 3ln1D-5yvsA:
8.72
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.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 186
LEU A 187
VAL A 239
ALA A 243
LEU A 247
 None
None
None
None
CLR  A1202 ( 4.3A)
 1.02A 3ln1D-6aqfA:
undetectable		 3ln1D-6aqfA:
9.97
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.
6fpd PROTEIN AB21

(Agaricus
bisporus) 		no annotation 5 SER A  26
ALA A  31
GLY A 133
ALA A 134
LEU A 138
 None
 0.76A 3ln1D-6fpdA:
undetectable		 3ln1D-6fpdA:
8.79