SIMILAR PATTERNS OF AMINO ACIDS FOR 4KHP_A_PARA1606_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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		3 TYR A 205
ARG A 181
SER A 180
 None
 0.93A 4khpI-1bf6A:
0.0
4khpJ-1bf6A:
0.0		 4khpI-1bf6A:
18.93
4khpJ-1bf6A:
14.12
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.
1bih HEMOLIN

(Hyalophora
cecropia) 		PF07679
(I-set)
PF13927
(Ig_3) 		3 TYR A 243
ARG A 153
SER A 268
 None
PO4  A 396 (-3.3A)
PO4  A 396 (-4.7A)
 1.11A 4khpI-1bihA:
0.0
4khpJ-1bihA:
0.0		 4khpI-1bihA:
15.87
4khpJ-1bihA:
16.34
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.
1cot CYTOCHROME C2

(Paracoccus
denitrificans) 		no annotation 3 TYR A  55
ARG A  45
SER A  49
 HEM  A 130 (-4.5A)
HEM  A 130 (-4.0A)
None
 0.79A 4khpI-1cotA:
0.0
4khpJ-1cotA:
0.0		 4khpI-1cotA:
22.14
4khpJ-1cotA:
18.32
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 TYR A 480
ARG A 456
SER A 478
 None
 1.10A 4khpI-1e43A:
0.0
4khpJ-1e43A:
0.0		 4khpI-1e43A:
15.53
4khpJ-1e43A:
10.14
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.
1f3r FV ANTIBODY FRAGMENT

(Rattus
norvegicus) 		PF07686
(V-set) 		3 TYR B  53
ARG B  50
SER B  33
 None
 1.08A 4khpI-1f3rB:
0.0
4khpJ-1f3rB:
0.6		 4khpI-1f3rB:
18.47
4khpJ-1f3rB:
15.85
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.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		3 TYR A 245
ARG A 109
SER A 243
 None
 1.02A 4khpI-1ga8A:
0.0
4khpJ-1ga8A:
0.0		 4khpI-1ga8A:
18.91
4khpJ-1ga8A:
15.41
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.
1nex CDC4 PROTEIN

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12937
(F-box-like) 		3 TYR B 548
ARG B 485
SER B 532
 None
 1.06A 4khpI-1nexB:
0.0
4khpJ-1nexB:
0.0		 4khpI-1nexB:
16.00
4khpJ-1nexB:
11.14
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.
1r0v TRNA-INTRON
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		3 TYR A 246
ARG A 244
SER A 258
 None
 1.11A 4khpI-1r0vA:
undetectable
4khpJ-1r0vA:
0.0		 4khpI-1r0vA:
18.09
4khpJ-1r0vA:
14.71
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 TYR A 128
ARG A  86
SER A 127
 None
 0.85A 4khpI-1rj6A:
0.0
4khpJ-1rj6A:
0.0		 4khpI-1rj6A:
17.25
4khpJ-1rj6A:
15.71
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		3 TYR A 194
ARG A 196
SER A 181
 None
 1.06A 4khpI-1t0bA:
undetectable
4khpJ-1t0bA:
undetectable		 4khpI-1t0bA:
19.21
4khpJ-1t0bA:
18.33
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.
1upf URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		no annotation 3 TYR D 227
ARG D 226
SER D 225
 None
 0.91A 4khpI-1upfD:
undetectable
4khpJ-1upfD:
undetectable		 4khpI-1upfD:
25.25
4khpJ-1upfD:
19.12
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		3 TYR A 382
ARG A 354
SER A 353
 TYR  A 382 ( 1.3A)
ARG  A 354 ( 0.6A)
SER  A 353 ( 0.0A)
 1.11A 4khpI-1v0fA:
undetectable
4khpJ-1v0fA:
undetectable		 4khpI-1v0fA:
11.48
4khpJ-1v0fA:
9.83
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.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		3 TYR A 384
ARG A 382
SER A 328
 None
 1.09A 4khpI-1x9yA:
undetectable
4khpJ-1x9yA:
undetectable		 4khpI-1x9yA:
14.01
4khpJ-1x9yA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xju LYSOZYME

(Escherichia
virus P1) 		PF00959
(Phage_lysozyme) 		3 TYR A 124
ARG A 129
SER A 126
 None
SO4  A 606 (-2.9A)
SO4  A 602 (-3.9A)
 1.12A 4khpI-1xjuA:
undetectable
4khpJ-1xjuA:
undetectable		 4khpI-1xjuA:
20.48
4khpJ-1xjuA:
21.69
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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 TYR A 274
ARG A 355
SER A 276
 None
 1.01A 4khpI-1y4uA:
2.1
4khpJ-1y4uA:
undetectable		 4khpI-1y4uA:
12.32
4khpJ-1y4uA:
10.77
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.
2be3 GTP
PYROPHOSPHOKINASE

(Streptococcus
pneumoniae) 		PF04607
(RelA_SpoT) 		3 TYR A 116
ARG A 143
SER A 118
 None
 1.03A 4khpI-2be3A:
undetectable
4khpJ-2be3A:
undetectable		 4khpI-2be3A:
20.45
4khpJ-2be3A:
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.
2bh5 CYTOCHROME C-550

(Paracoccus
versutus) 		no annotation 3 TYR X  55
ARG X  45
SER X  49
 HEC  X1123 (-4.5A)
HEC  X1123 (-4.0A)
None
 0.82A 4khpI-2bh5X:
undetectable
4khpJ-2bh5X:
undetectable		 4khpI-2bh5X:
22.46
4khpJ-2bh5X:
19.40
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.
2emy ZINC FINGER PROTEIN
268

(Homo sapiens) 		PF00096
(zf-C2H2) 		3 TYR A  13
ARG A  24
SER A  23
 None
 1.00A 4khpI-2emyA:
undetectable
4khpJ-2emyA:
undetectable		 4khpI-2emyA:
16.19
4khpJ-2emyA:
19.32
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.
2fin RABBITPOX ENCODED CC
CHEMOKINE INHIBITOR

(Vaccinia virus) 		PF02250
(Orthopox_35kD) 		3 TYR A  80
ARG A  89
SER A  82
 None
 0.90A 4khpI-2finA:
undetectable
4khpJ-2finA:
1.2		 4khpI-2finA:
18.42
4khpJ-2finA:
17.92
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.
2g7g RHA04620, PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF02909
(TetR_C) 		3 TYR A 115
ARG A  59
SER A 111
 None
 0.72A 4khpI-2g7gA:
undetectable
4khpJ-2g7gA:
undetectable		 4khpI-2g7gA:
20.85
4khpJ-2g7gA:
17.81
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.
2hn1 MAGNESIUM AND COBALT
TRANSPORTER

(Archaeoglobus
fulgidus) 		PF01544
(CorA) 		3 TYR A 255
ARG A 237
SER A 233
 None
 1.03A 4khpI-2hn1A:
undetectable
4khpJ-2hn1A:
undetectable		 4khpI-2hn1A:
19.92
4khpJ-2hn1A:
16.93
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.
2id5 LEUCINE RICH REPEAT
NEURONAL 6A

(Homo sapiens) 		PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		3 TYR A 456
ARG A 423
SER A 421
 None
 0.81A 4khpI-2id5A:
undetectable
4khpJ-2id5A:
undetectable		 4khpI-2id5A:
14.26
4khpJ-2id5A:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		3 TYR A  96
ARG A  94
SER A 105
 None
 0.84A 4khpI-2ivdA:
undetectable
4khpJ-2ivdA:
1.9		 4khpI-2ivdA:
15.84
4khpJ-2ivdA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j2s ZINC FINGER PROTEIN
HRX

(Homo sapiens) 		PF02008
(zf-CXXC) 		3 TYR A1205
ARG A1150
SER A1202
 None
 1.07A 4khpI-2j2sA:
undetectable
4khpJ-2j2sA:
undetectable		 4khpI-2j2sA:
17.39
4khpJ-2j2sA:
18.68
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.
2ohc TRNA-SPLICING
ENDONUCLEASE

(Thermoplasma
acidophilum) 		PF01974
(tRNA_int_endo) 		3 TYR A 138
ARG A 258
SER A 254
 None
 0.99A 4khpI-2ohcA:
undetectable
4khpJ-2ohcA:
undetectable		 4khpI-2ohcA:
20.14
4khpJ-2ohcA:
16.40
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 3 TYR A  87
ARG A 121
SER A 104
 None
 1.00A 4khpI-2pigA:
undetectable
4khpJ-2pigA:
undetectable		 4khpI-2pigA:
17.51
4khpJ-2pigA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 TYR A 643
ARG A 211
SER A 610
 None
 1.12A 4khpI-2w92A:
undetectable
4khpJ-2w92A:
undetectable		 4khpI-2w92A:
12.34
4khpJ-2w92A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		3 TYR A 525
ARG A 443
SER A 442
 None
 1.01A 4khpI-2y6iA:
undetectable
4khpJ-2y6iA:
undetectable		 4khpI-2y6iA:
11.14
4khpJ-2y6iA:
8.86
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.
2yfb METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER

(Pseudomonas
putida) 		PF16591
(HBM) 		3 TYR A 169
ARG A 176
SER A 173
 None
 1.11A 4khpI-2yfbA:
undetectable
4khpJ-2yfbA:
undetectable		 4khpI-2yfbA:
19.83
4khpJ-2yfbA:
18.61
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		3 TYR A 170
ARG A 187
SER A 185
 None
 1.02A 4khpI-2yvxA:
undetectable
4khpJ-2yvxA:
undetectable		 4khpI-2yvxA:
14.35
4khpJ-2yvxA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		3 TYR A 254
ARG A 212
SER A 250
 None
 0.96A 4khpI-2z6hA:
undetectable
4khpJ-2z6hA:
undetectable		 4khpI-2z6hA:
11.03
4khpJ-2z6hA:
11.37
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.
2zfd CALCINEURIN B-LIKE
PROTEIN 2
PUTATIVE
UNCHARACTERIZED
PROTEIN T20L15_90

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		3 TYR A 206
ARG B 332
SER B 325
 None
 1.06A 4khpI-2zfdA:
undetectable
4khpJ-2zfdA:
undetectable		 4khpI-2zfdA:
22.97
4khpJ-2zfdA:
18.72
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.
2zhh REDOX-SENSITIVE
TRANSCRIPTIONAL
ACTIVATOR SOXR

(Escherichia
coli) 		PF00376
(MerR)
PF09278
(MerR-DNA-bind) 		3 TYR A  49
ARG A  47
SER A  39
 None
 0.76A 4khpI-2zhhA:
undetectable
4khpJ-2zhhA:
undetectable		 4khpI-2zhhA:
22.93
4khpJ-2zhhA:
25.64
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		3 TYR A 180
ARG A 375
SER A 374
 None
 1.06A 4khpI-2zy2A:
undetectable
4khpJ-2zy2A:
undetectable		 4khpI-2zy2A:
14.78
4khpJ-2zy2A:
12.05
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 3 TYR A 253
ARG A 251
SER A 272
 None
 0.97A 4khpI-3a0fA:
undetectable
4khpJ-3a0fA:
undetectable		 4khpI-3a0fA:
11.04
4khpJ-3a0fA:
7.99
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		3 TYR B 402
ARG B 347
SER B 400
 None
 0.99A 4khpI-3a0hB:
undetectable
4khpJ-3a0hB:
undetectable		 4khpI-3a0hB:
13.52
4khpJ-3a0hB:
11.09
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		3 TYR H 326
ARG H 328
SER H 273
 None
 1.11A 4khpI-3c75H:
undetectable
4khpJ-3c75H:
undetectable		 4khpI-3c75H:
14.18
4khpJ-3c75H:
12.56
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.
3dd4 KV
CHANNEL-INTERACTING
PROTEIN 4

(Mus musculus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		3 TYR A  70
ARG A 133
SER A 129
 None
 0.97A 4khpI-3dd4A:
undetectable
4khpJ-3dd4A:
undetectable		 4khpI-3dd4A:
21.05
4khpJ-3dd4A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 TYR A 643
ARG A 211
SER A 610
 None
 1.08A 4khpI-3gdbA:
undetectable
4khpJ-3gdbA:
undetectable		 4khpI-3gdbA:
9.54
4khpJ-3gdbA:
6.50
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		3 TYR A 439
ARG A 421
SER A 440
 None
 1.03A 4khpI-3htzA:
undetectable
4khpJ-3htzA:
undetectable		 4khpI-3htzA:
15.68
4khpJ-3htzA:
13.17
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		3 TYR A 245
ARG A 203
SER A 241
 None
 1.07A 4khpI-3ifqA:
undetectable
4khpJ-3ifqA:
undetectable		 4khpI-3ifqA:
12.22
4khpJ-3ifqA:
9.34
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		3 TYR A 235
ARG A 227
SER A 233
 None
 1.06A 4khpI-3iq0A:
undetectable
4khpJ-3iq0A:
undetectable		 4khpI-3iq0A:
18.55
4khpJ-3iq0A:
14.11
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.
3l9d PUTATIVE GTP
PYROPHOSPHOKINASE

(Streptococcus
mutans) 		PF04607
(RelA_SpoT) 		3 TYR A 114
ARG A 141
SER A 116
 None
 0.98A 4khpI-3l9dA:
undetectable
4khpJ-3l9dA:
undetectable		 4khpI-3l9dA:
16.99
4khpJ-3l9dA:
16.00
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		3 TYR A 264
ARG A 222
SER A 265
 None
 0.95A 4khpI-3lggA:
undetectable
4khpJ-3lggA:
undetectable		 4khpI-3lggA:
13.48
4khpJ-3lggA:
10.95
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		3 TYR X 633
ARG X 631
SER X 642
 None
 0.99A 4khpI-3lxuX:
undetectable
4khpJ-3lxuX:
undetectable		 4khpI-3lxuX:
7.41
4khpJ-3lxuX:
6.34
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 TYR A 438
ARG A 486
SER A 506
 None
DST  A 601 (-3.1A)
None
 0.90A 4khpI-3n0gA:
undetectable
4khpJ-3n0gA:
undetectable		 4khpI-3n0gA:
14.09
4khpJ-3n0gA:
12.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o2k BREVIANAMIDE F
PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		3 TYR A 450
ARG A 113
SER A 104
 DST  A 501 ( 3.2A)
DST  A 501 (-2.8A)
DST  A 501 ( 4.9A)
 1.08A 4khpI-3o2kA:
undetectable
4khpJ-3o2kA:
undetectable		 4khpI-3o2kA:
15.32
4khpJ-3o2kA:
10.84
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		3 TYR A 441
ARG A 435
SER A 413
 None
 0.96A 4khpI-3ohnA:
undetectable
4khpJ-3ohnA:
undetectable		 4khpI-3ohnA:
11.91
4khpJ-3ohnA:
10.44
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		3 TYR A 893
ARG A 802
SER A 796
 None
 1.11A 4khpI-3pieA:
undetectable
4khpJ-3pieA:
undetectable		 4khpI-3pieA:
9.71
4khpJ-3pieA:
6.92
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.
3sl9 CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		3 TYR A 254
ARG A 212
SER A 250
 None
 1.11A 4khpI-3sl9A:
undetectable
4khpJ-3sl9A:
undetectable		 4khpI-3sl9A:
21.66
4khpJ-3sl9A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tj8 UREASE ACCESSORY
PROTEIN UREE

(Helicobacter
pylori) 		PF02814
(UreE_N)
PF05194
(UreE_C) 		3 TYR A 106
ARG A  31
SER A 142
 None
 1.04A 4khpI-3tj8A:
undetectable
4khpJ-3tj8A:
undetectable		 4khpI-3tj8A:
20.24
4khpJ-3tj8A:
19.50
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.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 463
ARG A 415
SER A 469
 None
TPO  A 450 ( 3.3A)
TPO  A 450 ( 4.0A)
 0.61A 4khpI-3ulzA:
undetectable
4khpJ-3ulzA:
undetectable		 4khpI-3ulzA:
20.75
4khpJ-3ulzA:
15.84
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 TYR A 110
ARG A  96
SER A 109
 None
 0.84A 4khpI-3w3eA:
undetectable
4khpJ-3w3eA:
undetectable		 4khpI-3w3eA:
19.82
4khpJ-3w3eA:
21.05
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.
3zx9 CAPSID PROTEIN

(Turnip crinkle
virus) 		PF00729
(Viral_coat) 		3 TYR A 234
ARG A  84
SER A  85
 None
 1.09A 4khpI-3zx9A:
undetectable
4khpJ-3zx9A:
undetectable		 4khpI-3zx9A:
17.05
4khpJ-3zx9A:
15.34
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.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		3 TYR A  32
ARG A  28
SER A  30
 None
 1.10A 4khpI-4agvA:
undetectable
4khpJ-4agvA:
undetectable		 4khpI-4agvA:
22.88
4khpJ-4agvA:
17.12
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		3 TYR A 525
ARG A 443
SER A 442
 None
 0.94A 4khpI-4areA:
undetectable
4khpJ-4areA:
undetectable		 4khpI-4areA:
11.50
4khpJ-4areA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 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 ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 TYR A 645
ARG A 512
SER A 568
 None
 1.11A 4khpI-4cakA:
undetectable
4khpJ-4cakA:
undetectable		 4khpI-4cakA:
9.51
4khpJ-4cakA:
6.90
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 3 TYR A   7
ARG A 208
SER A 251
 None
 1.12A 4khpI-4cmrA:
undetectable
4khpJ-4cmrA:
undetectable		 4khpI-4cmrA:
12.06
4khpJ-4cmrA:
11.11
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		3 TYR A  55
ARG A 145
SER A  57
 None
 1.08A 4khpI-4fnmA:
undetectable
4khpJ-4fnmA:
undetectable		 4khpI-4fnmA:
12.41
4khpJ-4fnmA:
10.56
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.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN
PROTEIN E6

(Alphapapillomavirus
9;
Escherichia
coli;
Homo sapiens) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		3 TYR A 342
ARG C 129
SER A 338
 CEY  A 400 (-4.5A)
None
None
 1.04A 4khpI-4gizA:
undetectable
4khpJ-4gizA:
undetectable		 4khpI-4gizA:
15.18
4khpJ-4gizA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		3 TYR A  65
ARG A  94
SER A  88
 None
 0.97A 4khpI-4inlA:
undetectable
4khpJ-4inlA:
undetectable		 4khpI-4inlA:
23.36
4khpJ-4inlA:
18.78
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 3 TYR B 261
ARG B  87
SER B 408
 None
 1.07A 4khpI-4iu9B:
undetectable
4khpJ-4iu9B:
undetectable		 4khpI-4iu9B:
12.26
4khpJ-4iu9B:
13.35
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.
4iuq SAWADEE HOMEODOMAIN
HOMOLOG 1

(Arabidopsis
thaliana) 		no annotation 3 TYR B 140
ARG B 135
SER B 133
 None
 0.96A 4khpI-4iuqB:
undetectable
4khpJ-4iuqB:
undetectable		 4khpI-4iuqB:
25.36
4khpJ-4iuqB:
18.44
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		3 TYR A 263
ARG A  89
SER A 411
 NO2  A 501 (-4.6A)
NO2  A 501 (-2.8A)
NO2  A 501 (-4.5A)
 0.95A 4khpI-4jreA:
undetectable
4khpJ-4jreA:
undetectable		 4khpI-4jreA:
13.82
4khpJ-4jreA:
10.73
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.
4jrf PUTATIVE CELL
ADHESION PROTEIN

(Bacteroides
ovatus) 		PF15495
(Fimbrillin_C) 		3 TYR A 251
ARG A 267
SER A 252
 None
 1.02A 4khpI-4jrfA:
undetectable
4khpJ-4jrfA:
undetectable		 4khpI-4jrfA:
12.77
4khpJ-4jrfA:
12.42
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		3 TYR A  42
ARG A 158
SER A  26
 NMN  A 402 (-3.4A)
NMN  A 402 (-3.7A)
NMN  A 402 (-4.4A)
 0.89A 4khpI-4lh7A:
undetectable
4khpJ-4lh7A:
undetectable		 4khpI-4lh7A:
18.67
4khpJ-4lh7A:
14.55
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.
4llo POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Mus musculus) 		PF13426
(PAS_9) 		3 TYR B  44
ARG B  57
SER B  45
 None
 1.05A 4khpI-4lloB:
undetectable
4khpJ-4lloB:
undetectable		 4khpI-4lloB:
22.07
4khpJ-4lloB:
23.94
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.
4mxw LYMPHOTOXIN-BETA

(Homo sapiens) 		no annotation 3 TYR Y 220
ARG Y 160
SER Y 162
 None
 1.03A 4khpI-4mxwY:
undetectable
4khpJ-4mxwY:
undetectable		 4khpI-4mxwY:
20.48
4khpJ-4mxwY:
17.01
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.
4pag PERIPLASMIC BINDING
PROTEIN

(Sulfurospirillum
deleyianum) 		PF01497
(Peripla_BP_2) 		3 TYR A 143
ARG A 293
SER A 140
 None
 1.10A 4khpI-4pagA:
undetectable
4khpJ-4pagA:
undetectable		 4khpI-4pagA:
16.41
4khpJ-4pagA:
16.50
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.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		3 TYR A 403
ARG A 410
SER A 408
 None
 1.03A 4khpI-4pl0A:
undetectable
4khpJ-4pl0A:
undetectable		 4khpI-4pl0A:
13.43
4khpJ-4pl0A:
11.28
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.
4qd2 HEMAGGLUTININ
COMPONENT HA70

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		3 TYR A 561
ARG A 619
SER A 560
 None
 0.87A 4khpI-4qd2A:
undetectable
4khpJ-4qd2A:
undetectable		 4khpI-4qd2A:
16.40
4khpJ-4qd2A:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 TYR A 619
ARG A 601
SER A 617
 None
 0.98A 4khpI-4qi6A:
undetectable
4khpJ-4qi6A:
undetectable		 4khpI-4qi6A:
9.29
4khpJ-4qi6A:
7.52
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		3 TYR A 182
ARG A 140
SER A 178
 None
 0.94A 4khpI-4r10A:
undetectable
4khpJ-4r10A:
undetectable		 4khpI-4r10A:
13.21
4khpJ-4r10A:
11.32
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 3 TYR A 324
ARG A 375
SER A 351
 None
 1.12A 4khpI-4rmxA:
undetectable
4khpJ-4rmxA:
undetectable		 4khpI-4rmxA:
11.45
4khpJ-4rmxA:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		3 TYR Q 289
ARG Q 319
SER Q 287
 None
 1.10A 4khpI-4upeQ:
undetectable
4khpJ-4upeQ:
undetectable		 4khpI-4upeQ:
12.90
4khpJ-4upeQ:
11.84
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.
4woe TAUROCYAMINE KINASE

(Schistosoma
mansoni) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 TYR A 447
ARG A 690
SER A 633
 None
None
3S5  A 804 ( 4.0A)
 1.08A 4khpI-4woeA:
undetectable
4khpJ-4woeA:
undetectable		 4khpI-4woeA:
11.32
4khpJ-4woeA:
9.65
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.
4wse PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 3 TYR A 254
ARG A 435
SER A 376
 None
 1.03A 4khpI-4wseA:
undetectable
4khpJ-4wseA:
undetectable		 4khpI-4wseA:
12.57
4khpJ-4wseA:
11.53
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		3 TYR A 814
ARG A 752
SER A 815
 None
 0.91A 4khpI-4zgvA:
undetectable
4khpJ-4zgvA:
undetectable		 4khpI-4zgvA:
10.28
4khpJ-4zgvA:
7.91
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		3 TYR A 219
ARG A 223
SER A 221
 None
 0.73A 4khpI-5a11A:
undetectable
4khpJ-5a11A:
undetectable		 4khpI-5a11A:
15.69
4khpJ-5a11A:
16.52
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.
5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE

(Streptomyces
hygroscopicus) 		no annotation 3 TYR A 147
ARG A 328
SER A 327
 3HB  A1341 (-3.9A)
None
3HB  A1341 (-3.0A)
 1.01A 4khpI-5a3kA:
undetectable
4khpJ-5a3kA:
undetectable		 4khpI-5a3kA:
18.73
4khpJ-5a3kA:
12.98
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.
5bop NANOBODY

(Lama glama) 		PF07686
(V-set) 		3 TYR A 106
ARG A  72
SER A  51
 None
 0.96A 4khpI-5bopA:
undetectable
4khpJ-5bopA:
undetectable		 4khpI-5bopA:
23.68
4khpJ-5bopA:
17.39
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		3 TYR A 171
ARG A 164
SER A 167
 None
 1.03A 4khpI-5dh2A:
undetectable
4khpJ-5dh2A:
undetectable		 4khpI-5dh2A:
16.56
4khpJ-5dh2A:
16.15
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		3 TYR E 518
ARG E 486
SER E 483
 None
 1.01A 4khpI-5e24E:
undetectable
4khpJ-5e24E:
undetectable		 4khpI-5e24E:
15.99
4khpJ-5e24E:
12.80
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.
5fcc HUTD

(Pseudomonas
fluorescens) 		PF05962
(HutD) 		3 TYR A  59
ARG A 117
SER A 114
 NA  A 205 (-4.5A)
EDO  A 202 (-3.9A)
None
 1.06A 4khpI-5fccA:
undetectable
4khpJ-5fccA:
undetectable		 4khpI-5fccA:
18.75
4khpJ-5fccA:
21.05
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.
5fid ELICITOR PROTEIN
HRIP2

(Magnaporthe
oryzae) 		no annotation 3 TYR A  82
ARG A  60
SER A  64
 None
 1.06A 4khpI-5fidA:
undetectable
4khpJ-5fidA:
undetectable		 4khpI-5fidA:
20.69
4khpJ-5fidA:
18.71
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		3 TYR A 331
ARG A 287
SER A 324
 None
VDM  A 502 (-3.6A)
VDM  A 502 ( 4.1A)
 1.03A 4khpI-5hvoA:
undetectable
4khpJ-5hvoA:
undetectable		 4khpI-5hvoA:
14.97
4khpJ-5hvoA:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iml NANOBODY

(Camelidae) 		PF07686
(V-set) 		3 TYR B  58
ARG B  51
SER B  56
 None
 1.11A 4khpI-5imlB:
undetectable
4khpJ-5imlB:
undetectable		 4khpI-5imlB:
19.71
4khpJ-5imlB:
16.54
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 TYR A 586
ARG A 582
SER A 585
 None
 1.11A 4khpI-5isxA:
undetectable
4khpJ-5isxA:
undetectable		 4khpI-5isxA:
14.94
4khpJ-5isxA:
13.32
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A 441
ARG A 421
SER A 422
 None
 0.98A 4khpI-5kbrA:
undetectable
4khpJ-5kbrA:
undetectable		 4khpI-5kbrA:
20.30
4khpJ-5kbrA:
15.33
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 3 TYR A 704
ARG A 681
SER A 701
 None
 0.87A 4khpI-5kk5A:
undetectable
4khpJ-5kk5A:
undetectable		 4khpI-5kk5A:
7.66
4khpJ-5kk5A:
5.49
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.
5ldd MON1
RAB SMALL MONOMERIC
GTPASE-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00071
(Ras)
PF03164
(Mon1) 		3 TYR A 285
ARG C  79
SER A 230
 None
 0.86A 4khpI-5lddA:
undetectable
4khpJ-5lddA:
undetectable		 4khpI-5lddA:
20.22
4khpJ-5lddA:
21.69
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 3 TYR A 367
ARG A 369
SER A 350
 None
 0.87A 4khpI-5mu5A:
undetectable
4khpJ-5mu5A:
undetectable		 4khpI-5mu5A:
13.77
4khpJ-5mu5A:
9.53
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		3 TYR O 482
ARG O 430
SER O 426
 None
 0.78A 4khpI-5n5zO:
undetectable
4khpJ-5n5zO:
undetectable		 4khpI-5n5zO:
11.56
4khpJ-5n5zO:
10.56
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.
5odb D10 FAB FRAGMENT -
LIGHT CHAIN

(Homo sapiens) 		no annotation 3 TYR B 192
ARG B 209
SER B 190
 None
 1.09A 4khpI-5odbB:
undetectable
4khpJ-5odbB:
undetectable		 4khpI-5odbB:
17.69
4khpJ-5odbB:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0i 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		3 TYR d  74
ARG d  65
SER d  70
 None
 0.84A 4khpI-5t0id:
undetectable
4khpJ-5t0id:
undetectable		 4khpI-5t0id:
17.17
4khpJ-5t0id:
14.61
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		3 TYR A 349
ARG A 425
SER A 351
 None
 0.98A 4khpI-5u22A:
undetectable
4khpJ-5u22A:
undetectable		 4khpI-5u22A:
15.84
4khpJ-5u22A:
12.24
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 3 TYR A  63
ARG A  76
SER A  62
 None
 1.12A 4khpI-5u2oA:
undetectable
4khpJ-5u2oA:
undetectable		 4khpI-5u2oA:
18.94
4khpJ-5u2oA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 3 TYR A 143
ARG A 151
SER A 149
 PO4  A1202 (-4.2A)
PO4  A1202 ( 3.8A)
PO4  A1202 (-2.6A)
 0.92A 4khpI-5wivA:
undetectable
4khpJ-5wivA:
undetectable		 4khpI-5wivA:
15.53
4khpJ-5wivA:
12.87
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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 3 TYR A 337
ARG A 424
SER A 408
 8LM  A 610 (-4.5A)
8LM  A 610 (-3.7A)
None
 0.94A 4khpI-6c0mA:
undetectable
4khpJ-6c0mA:
undetectable		 4khpI-6c0mA:
18.55
4khpJ-6c0mA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 3 TYR A2784
ARG A2528
SER A2614
 None
 0.90A 4khpI-6ez8A:
undetectable
4khpJ-6ez8A:
undetectable		 4khpI-6ez8A:
16.39
4khpJ-6ez8A:
12.24