SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICR_A_NIOA604

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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 SER A   1
THR A 173
GLU A 131
GLY A 130
 None
 1.27A 1icrA-1cqjA:
0.1
1icrB-1cqjA:
0.0		 1icrA-1cqjA:
21.45
1icrB-1cqjA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 SER A 217
THR A 218
GLU A 232
GLY A 137
 None
 1.32A 1icrA-1deuA:
0.0
1icrB-1deuA:
0.0		 1icrA-1deuA:
18.53
1icrB-1deuA:
18.53
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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 SER A 211
THR A 220
GLU A 203
GLY A 205
 None
 1.01A 1icrA-1dmlA:
0.0
1icrB-1dmlA:
0.0		 1icrA-1dmlA:
21.23
1icrB-1dmlA:
21.23
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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 THR A  41
PHE A  54
GLU A  55
GLY A  58
 None
 1.04A 1icrA-1f3jA:
0.0
1icrB-1f3jA:
undetectable		 1icrA-1f3jA:
17.12
1icrB-1f3jA:
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.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 SER A 103
PHE A  47
GLU A 100
GLY A  98
 None
None
None
SO4  A 200 (-3.0A)
 1.22A 1icrA-1g33A:
undetectable
1icrB-1g33A:
undetectable		 1icrA-1g33A:
15.67
1icrB-1g33A:
15.67
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 SER A 112
THR A 111
GLU A 114
GLY A 101
 None
GOL  A 611 (-4.6A)
None
None
 1.15A 1icrA-1gq1A:
0.0
1icrB-1gq1A:
0.0		 1icrA-1gq1A:
18.88
1icrB-1gq1A:
18.88
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))

(Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10) 		4 SER L 198
THR L 199
GLU L 156
GLY L 157
 None
 1.26A 1icrA-1hfeL:
0.1
1icrB-1hfeL:
0.0		 1icrA-1hfeL:
20.24
1icrB-1hfeL:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 SER A 174
THR A 175
GLU A 212
GLY A 215
 None
 1.26A 1icrA-1i4wA:
0.0
1icrB-1i4wA:
0.0		 1icrA-1i4wA:
20.22
1icrB-1i4wA:
20.22
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		4 SER A 103
THR A 104
GLU A 136
GLY A 135
 None
 1.31A 1icrA-1kbzA:
0.0
1icrB-1kbzA:
0.0		 1icrA-1kbzA:
25.24
1icrB-1kbzA:
25.24
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 SER A 140
PHE A 158
GLU A 142
GLY A 146
 NAD  A1300 (-4.3A)
None
None
None
 1.27A 1icrA-1nffA:
0.0
1icrB-1nffA:
0.0		 1icrA-1nffA:
22.26
1icrB-1nffA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 301
THR A 302
GLU A  46
GLY A  45
 None
 1.33A 1icrA-1nu5A:
undetectable
1icrB-1nu5A:
undetectable		 1icrA-1nu5A:
20.75
1icrB-1nu5A:
20.75
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 SER A 162
PHE A 228
GLU A 361
GLY A 360
 None
 1.11A 1icrA-1q1lA:
0.7
1icrB-1q1lA:
undetectable		 1icrA-1q1lA:
19.70
1icrB-1q1lA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 SER A 307
THR A 220
GLU A 256
GLY A 258
 None
 0.92A 1icrA-1r53A:
undetectable
1icrB-1r53A:
undetectable		 1icrA-1r53A:
21.73
1icrB-1r53A:
21.73
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.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		4 SER A 235
PHE A 306
GLU A 239
GLY A 310
 K  A1503 (-2.9A)
GOL  A1401 ( 3.8A)
None
None
 1.34A 1icrA-1ta9A:
undetectable
1icrB-1ta9A:
undetectable		 1icrA-1ta9A:
17.00
1icrB-1ta9A:
17.00
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 410
THR A 268
PHE A 408
GLY A 404
 None
None
None
ACE  A 633 (-3.1A)
 1.14A 1icrA-1tqyA:
undetectable
1icrB-1tqyA:
undetectable		 1icrA-1tqyA:
20.53
1icrB-1tqyA:
20.53
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 410
THR A 268
PHE A 408
GLY A 407
 None
 1.31A 1icrA-1tqyA:
undetectable
1icrB-1tqyA:
undetectable		 1icrA-1tqyA:
20.53
1icrB-1tqyA:
20.53
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.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		4 SER B  49
THR B  72
GLU B  51
GLY B  52
 None
 1.10A 1icrA-1usvB:
undetectable
1icrB-1usvB:
undetectable		 1icrA-1usvB:
18.83
1icrB-1usvB:
18.83
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		4 SER A 100
THR A 101
GLU A 133
GLY A 132
 None
NAI  A 300 (-4.0A)
None
None
 1.21A 1icrA-1vl0A:
undetectable
1icrB-1vl0A:
undetectable		 1icrA-1vl0A:
21.02
1icrB-1vl0A:
21.02
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 SER A 324
THR A 290
PHE A 265
GLY A 293
 None
 1.26A 1icrA-1xhbA:
undetectable
1icrB-1xhbA:
undetectable		 1icrA-1xhbA:
19.49
1icrB-1xhbA:
19.49
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 THR A 505
PHE A 504
GLU A 623
GLY A 502
 None
 1.32A 1icrA-1zvdA:
undetectable
1icrB-1zvdA:
undetectable		 1icrA-1zvdA:
18.06
1icrB-1zvdA:
18.06
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 SER A  89
THR A  88
GLU A  86
GLY A  84
 None
 1.09A 1icrA-1zypA:
undetectable
1icrB-1zypA:
undetectable		 1icrA-1zypA:
23.21
1icrB-1zypA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 283
THR A 282
PHE A 274
GLY A 262
 None
 1.33A 1icrA-2bc0A:
undetectable
1icrB-2bc0A:
undetectable		 1icrA-2bc0A:
18.71
1icrB-2bc0A:
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		4 SER C 110
PHE B  99
GLU B  98
GLY B  95
 None
 1.13A 1icrA-2e3xC:
undetectable
1icrB-2e3xC:
undetectable		 1icrA-2e3xC:
22.39
1icrB-2e3xC:
22.39
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 571
THR A 532
GLU A 635
GLY A 639
 None
 0.87A 1icrA-2f57A:
undetectable
1icrB-2f57A:
undetectable		 1icrA-2f57A:
23.58
1icrB-2f57A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggs 273AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Sulfurisphaera
tokodaii) 		PF04321
(RmlD_sub_bind) 		4 SER A 106
THR A 107
GLU A 138
GLY A 137
 None
NDP  A 900 (-4.2A)
None
None
 1.21A 1icrA-2ggsA:
undetectable
1icrB-2ggsA:
undetectable		 1icrA-2ggsA:
24.01
1icrB-2ggsA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 SER A 211
THR A 207
PHE A 180
GLY A 148
 None
 1.10A 1icrA-2h63A:
undetectable
1icrB-2h63A:
undetectable		 1icrA-2h63A:
22.22
1icrB-2h63A:
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.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		4 SER A 682
THR A 681
GLU A 627
GLY A 630
 None
 1.27A 1icrA-2hcsA:
undetectable
1icrB-2hcsA:
undetectable		 1icrA-2hcsA:
15.67
1icrB-2hcsA:
15.67
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 SER A 426
THR A 336
GLU A 340
GLY A 341
 None
 1.33A 1icrA-2ihmA:
1.7
1icrB-2ihmA:
undetectable		 1icrA-2ihmA:
21.49
1icrB-2ihmA:
21.49
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.
2j3s FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 SER A2180
THR A2179
GLU A2206
GLY A2208
 None
 1.30A 1icrA-2j3sA:
undetectable
1icrB-2j3sA:
undetectable		 1icrA-2j3sA:
20.89
1icrB-2j3sA:
20.89
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.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		4 THR A 350
PHE A 361
GLU A 348
GLY A 344
 None
 1.33A 1icrA-2nxxA:
undetectable
1icrB-2nxxA:
undetectable		 1icrA-2nxxA:
19.49
1icrB-2nxxA:
19.49
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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 THR A 205
PHE A 208
GLU A 207
GLY A 211
 EDO  A1004 ( 4.4A)
None
None
None
 1.16A 1icrA-2pb0A:
undetectable
1icrB-2pb0A:
undetectable		 1icrA-2pb0A:
19.34
1icrB-2pb0A:
19.34
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.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		4 SER A  89
THR A 103
GLU A  75
GLY A  85
 None
 0.87A 1icrA-2pbeA:
undetectable
1icrB-2pbeA:
undetectable		 1icrA-2pbeA:
19.87
1icrB-2pbeA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 SER A  69
THR A  70
PHE A  67
GLY A 313
 None
 1.08A 1icrA-2qt3A:
undetectable
1icrB-2qt3A:
undetectable		 1icrA-2qt3A:
20.70
1icrB-2qt3A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A  34
THR A  35
PHE A  31
GLU A  62
 None
 1.27A 1icrA-2v6bA:
undetectable
1icrB-2v6bA:
undetectable		 1icrA-2v6bA:
23.17
1icrB-2v6bA:
23.17
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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		4 SER A 325
THR A 328
PHE A 292
GLY A 273
 None
None
C5P  A1344 (-4.6A)
C5P  A1344 (-3.2A)
 1.30A 1icrA-2wnbA:
undetectable
1icrB-2wnbA:
undetectable		 1icrA-2wnbA:
20.77
1icrB-2wnbA:
20.77
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.
2xrd COMPLEMENT
REGULATORY PROTEIN
CRRY

(Rattus
norvegicus) 		PF00084
(Sushi) 		4 SER A 207
THR A 187
GLU A 205
GLY A 204
 None
 1.05A 1icrA-2xrdA:
undetectable
1icrB-2xrdA:
undetectable		 1icrA-2xrdA:
19.00
1icrB-2xrdA:
19.00
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.
2xs5 DELETED IN
AZOOSPERMIA-LIKE

(Mus musculus) 		PF00076
(RRM_1) 		4 SER A  86
THR A  41
PHE A  84
GLU A  68
 None
U  C   4 ( 4.3A)
U  C   4 ( 3.6A)
None
 1.23A 1icrA-2xs5A:
undetectable
1icrB-2xs5A:
undetectable		 1icrA-2xs5A:
19.54
1icrB-2xs5A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6g XYLANASE

(Rhodothermus
marinus) 		PF02018
(CBM_4_9) 		4 THR A  13
PHE A  10
GLU A  11
GLY A   8
 None
None
CA  A1169 (-3.4A)
None
 1.21A 1icrA-2y6gA:
undetectable
1icrB-2y6gA:
undetectable		 1icrA-2y6gA:
21.50
1icrB-2y6gA:
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 SER A  51
THR A  52
GLU A 250
GLY A 252
 None
 1.04A 1icrA-2ynkA:
undetectable
1icrB-2ynkA:
undetectable		 1icrA-2ynkA:
18.94
1icrB-2ynkA:
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 SER A 399
THR A 381
GLU A   7
GLY A   8
 None
 0.91A 1icrA-3bryA:
undetectable
1icrB-3bryA:
undetectable		 1icrA-3bryA:
20.00
1icrB-3bryA:
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.
3d5n Q97W15_SULSO

(Sulfolobus
solfataricus) 		PF12804
(NTP_transf_3) 		4 SER A  76
THR A  75
GLU A  12
GLY A  13
 None
 1.21A 1icrA-3d5nA:
undetectable
1icrB-3d5nA:
undetectable		 1icrA-3d5nA:
22.22
1icrB-3d5nA:
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.
3elz ILEAL BILE
ACID-BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		4 SER A  84
THR A  91
GLU A  86
GLY A  87
 None
 1.25A 1icrA-3elzA:
undetectable
1icrB-3elzA:
undetectable		 1icrA-3elzA:
20.44
1icrB-3elzA:
20.44
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 SER A 158
THR A 156
GLU A 162
GLY A 163
 None
 0.98A 1icrA-3griA:
undetectable
1icrB-3griA:
undetectable		 1icrA-3griA:
20.71
1icrB-3griA:
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 THR A 135
PHE A  95
GLU A 132
GLY A 128
 None
 1.08A 1icrA-3kzwA:
undetectable
1icrB-3kzwA:
undetectable		 1icrA-3kzwA:
18.66
1icrB-3kzwA:
18.66
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 SER A 923
THR A 926
PHE A 920
GLU A 560
 None
 1.29A 1icrA-3ne5A:
2.5
1icrB-3ne5A:
undetectable		 1icrA-3ne5A:
11.47
1icrB-3ne5A:
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.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		4 SER A 185
THR A 183
GLU A 297
GLY A 298
 GOL  A 409 (-3.1A)
None
GOL  A 409 ( 4.4A)
None
 1.30A 1icrA-3o8jA:
undetectable
1icrB-3o8jA:
undetectable		 1icrA-3o8jA:
17.73
1icrB-3o8jA:
17.73
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.
3pdu 3-HYDROXYISOBUTYRATE
DEHYDROGENASE FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 SER A 102
THR A 103
GLU A 118
GLY A 139
 None
 0.74A 1icrA-3pduA:
undetectable
1icrB-3pduA:
undetectable		 1icrA-3pduA:
21.20
1icrB-3pduA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pgv HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Klebsiella
pneumoniae) 		PF08282
(Hydrolase_3) 		4 SER A 177
THR A 178
GLU A 183
GLY A  43
 EPE  A 268 ( 4.3A)
GOL  A 272 (-4.1A)
None
EPE  A 268 (-3.7A)
 1.33A 1icrA-3pgvA:
undetectable
1icrB-3pgvA:
2.4		 1icrA-3pgvA:
22.45
1icrB-3pgvA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qz6 HPCH/HPAI ALDOLASE

(Desulfitobacterium
hafniense) 		PF03328
(HpcH_HpaI) 		4 SER A  65
PHE A 142
GLU A  87
GLY A  88
 None
 1.32A 1icrA-3qz6A:
undetectable
1icrB-3qz6A:
undetectable		 1icrA-3qz6A:
23.11
1icrB-3qz6A:
23.11
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.
3s99 BASIC MEMBRANE
LIPOPROTEIN

(Brucella
abortus) 		PF02608
(Bmp) 		4 SER A 212
THR A 213
GLU A 191
GLY A 189
 None
 1.34A 1icrA-3s99A:
undetectable
1icrB-3s99A:
undetectable		 1icrA-3s99A:
20.74
1icrB-3s99A:
20.74
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 SER A 102
THR A 103
GLU A 135
GLY A 134
 None
NAP  A 285 (-4.0A)
None
None
 1.16A 1icrA-3sc6A:
undetectable
1icrB-3sc6A:
undetectable		 1icrA-3sc6A:
24.08
1icrB-3sc6A:
24.08
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.
3shp PUTATIVE
ACETYLTRANSFERASE
STHE_0691

(Sphaerobacter
thermophilus) 		no annotation 4 SER A  83
THR A 120
GLU A  76
GLY A  78
 None
 0.96A 1icrA-3shpA:
undetectable
1icrB-3shpA:
undetectable		 1icrA-3shpA:
23.53
1icrB-3shpA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 338
THR A 337
GLU A 346
GLY A 141
 None
 1.10A 1icrA-3ty1A:
undetectable
1icrB-3ty1A:
undetectable		 1icrA-3ty1A:
18.49
1icrB-3ty1A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 SER A 138
THR A 139
GLU A 160
GLY A 158
 None
 1.18A 1icrA-3u5tA:
undetectable
1icrB-3u5tA:
undetectable		 1icrA-3u5tA:
24.82
1icrB-3u5tA:
24.82
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 THR A 111
PHE A 119
GLU A 109
GLY A 108
 None
 1.25A 1icrA-3vm5A:
undetectable
1icrB-3vm5A:
undetectable		 1icrA-3vm5A:
17.03
1icrB-3vm5A:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		4 SER A 118
THR A 119
GLU A 151
GLY A 149
 None
UD1  A 400 (-3.0A)
None
None
 1.15A 1icrA-3vpsA:
undetectable
1icrB-3vpsA:
undetectable		 1icrA-3vpsA:
22.12
1icrB-3vpsA:
22.12
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 SER A 192
THR A 188
PHE A 129
GLY A 132
 None
 1.31A 1icrA-3zu0A:
undetectable
1icrB-3zu0A:
undetectable		 1icrA-3zu0A:
18.07
1icrB-3zu0A:
18.07
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 SER A 192
THR A 188
PHE A 129
GLY A 195
 None
 1.33A 1icrA-3zu0A:
undetectable
1icrB-3zu0A:
undetectable		 1icrA-3zu0A:
18.07
1icrB-3zu0A:
18.07
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 SER A 634
THR A 635
PHE A  88
GLY A 244
 None
 1.33A 1icrA-4a01A:
undetectable
1icrB-4a01A:
undetectable		 1icrA-4a01A:
14.99
1icrB-4a01A:
14.99
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 SER A 634
THR A 635
PHE A  88
GLY A 245
 None
 1.20A 1icrA-4a01A:
undetectable
1icrB-4a01A:
undetectable		 1icrA-4a01A:
14.99
1icrB-4a01A:
14.99
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		4 SER A 491
PHE A 458
GLU A 447
GLY A 445
 None
 1.33A 1icrA-4b0sA:
0.7
1icrB-4b0sA:
undetectable		 1icrA-4b0sA:
18.43
1icrB-4b0sA:
18.43
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.
4btm TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 153
THR A 154
PHE A 332
GLU A 330
 None
 1.25A 1icrA-4btmA:
undetectable
1icrB-4btmA:
undetectable		 1icrA-4btmA:
20.00
1icrB-4btmA:
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 SER A1829
THR A1828
GLU A1826
GLY A1823
 None
None
CA  A2050 ( 4.8A)
None
 1.04A 1icrA-4bxoA:
undetectable
1icrB-4bxoA:
undetectable		 1icrA-4bxoA:
19.48
1icrB-4bxoA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		4 SER A  27
THR A  46
GLU A  29
GLY A  43
 None
 1.32A 1icrA-4cz1A:
undetectable
1icrB-4cz1A:
undetectable		 1icrA-4cz1A:
22.22
1icrB-4cz1A:
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 THR A 658
PHE A 709
GLU A 695
GLY A 693
 None
 1.35A 1icrA-4d72A:
undetectable
1icrB-4d72A:
undetectable		 1icrA-4d72A:
16.04
1icrB-4d72A:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 SER A 192
THR A 193
GLU A 236
GLY A 235
 None
 1.27A 1icrA-4dqvA:
undetectable
1icrB-4dqvA:
undetectable		 1icrA-4dqvA:
18.98
1icrB-4dqvA:
18.98
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		4 SER A 443
THR A 404
GLU A 507
GLY A 511
 None
 0.95A 1icrA-4fieA:
undetectable
1icrB-4fieA:
undetectable		 1icrA-4fieA:
19.67
1icrB-4fieA:
19.67
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.
4hrt HEMOGLOBIN B CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		4 SER B  46
THR B  45
GLU B 115
GLY B 114
 None
None
HEM  B 201 ( 4.9A)
None
 1.26A 1icrA-4hrtB:
undetectable
1icrB-4hrtB:
undetectable		 1icrA-4hrtB:
22.62
1icrB-4hrtB:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A  40
THR A  39
GLU A  78
GLY A  76
 None
 0.80A 1icrA-4isbA:
undetectable
1icrB-4isbA:
undetectable		 1icrA-4isbA:
18.55
1icrB-4isbA:
18.55
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 529
THR A 490
GLU A 593
GLY A 597
 None
 0.90A 1icrA-4ks8A:
undetectable
1icrB-4ks8A:
undetectable		 1icrA-4ks8A:
25.00
1icrB-4ks8A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4maf ATP SULFURYLASE

(Glycine max) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 SER A 226
THR A 228
GLU A  95
GLY A  96
 None
 1.34A 1icrA-4mafA:
undetectable
1icrB-4mafA:
undetectable		 1icrA-4mafA:
20.00
1icrB-4mafA:
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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 129
THR A 130
PHE A 308
GLU A 306
 None
 1.27A 1icrA-4nfnA:
undetectable
1icrB-4nfnA:
undetectable		 1icrA-4nfnA:
20.87
1icrB-4nfnA:
20.87
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 4 SER A 624
THR A 586
GLU A 646
GLY A 647
 None
 1.28A 1icrA-4oj5A:
undetectable
1icrB-4oj5A:
undetectable		 1icrA-4oj5A:
15.19
1icrB-4oj5A:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 THR A 671
PHE A 651
GLU A 602
GLY A 603
 None
 1.34A 1icrA-4om9A:
undetectable
1icrB-4om9A:
undetectable		 1icrA-4om9A:
11.83
1icrB-4om9A:
11.83
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 SER A  53
THR A  60
GLU A  55
GLY A  56
 None
 1.08A 1icrA-4p7hA:
undetectable
1icrB-4p7hA:
undetectable		 1icrA-4p7hA:
12.73
1icrB-4p7hA:
12.73
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 SER A 530
THR A 454
GLU A 534
GLY A 533
 None
 1.06A 1icrA-4qawA:
undetectable
1icrB-4qawA:
undetectable		 1icrA-4qawA:
17.29
1icrB-4qawA:
17.29
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 SER B 215
THR B 216
GLU A 104
GLY B  64
 None
 1.16A 1icrA-4r1dB:
undetectable
1icrB-4r1dB:
undetectable		 1icrA-4r1dB:
21.19
1icrB-4r1dB:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 SER A 216
PHE A 132
GLU A 225
GLY A 131
 None
 1.34A 1icrA-4rl6A:
undetectable
1icrB-4rl6A:
undetectable		 1icrA-4rl6A:
21.93
1icrB-4rl6A:
21.93
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 THR A 435
PHE A 451
GLU A 445
GLY A 446
 None
 1.05A 1icrA-4uw2A:
undetectable
1icrB-4uw2A:
undetectable		 1icrA-4uw2A:
14.95
1icrB-4uw2A:
14.95
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 SER A 100
THR A 101
GLU A 135
GLY A 134
 None
 1.26A 1icrA-4wpgA:
undetectable
1icrB-4wpgA:
undetectable		 1icrA-4wpgA:
22.59
1icrB-4wpgA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wsi MAGUK P55 SUBFAMILY
MEMBER 5

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		4 THR A 515
PHE A 536
GLU A 550
GLY A 549
 None
 1.25A 1icrA-4wsiA:
undetectable
1icrB-4wsiA:
undetectable		 1icrA-4wsiA:
21.14
1icrB-4wsiA:
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 SER A 443
THR A 404
GLU A 507
GLY A 511
 None
 0.89A 1icrA-4xbrA:
undetectable
1icrB-4xbrA:
undetectable		 1icrA-4xbrA:
21.35
1icrB-4xbrA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 SER A  89
THR A  88
GLU A  86
GLY A  84
 None
 1.08A 1icrA-4xvgA:
undetectable
1icrB-4xvgA:
undetectable		 1icrA-4xvgA:
17.40
1icrB-4xvgA:
17.40
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 SER A 168
THR A 169
PHE A 642
GLU A 630
 None
 1.18A 1icrA-4yj1A:
undetectable
1icrB-4yj1A:
undetectable		 1icrA-4yj1A:
14.94
1icrB-4yj1A:
14.94
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		4 SER D  40
THR D  51
GLU D  42
GLY D  43
 None
 1.20A 1icrA-5a6bD:
undetectable
1icrB-5a6bD:
undetectable		 1icrA-5a6bD:
16.75
1icrB-5a6bD:
16.75
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 SER A 270
THR A 267
GLU A 241
GLY A 240
 None
None
None
MG  A2001 ( 4.4A)
 1.17A 1icrA-5e6sA:
undetectable
1icrB-5e6sA:
undetectable		 1icrA-5e6sA:
14.39
1icrB-5e6sA:
14.39
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 SER A 223
THR A 220
GLU A 225
GLY A 208
 None
 1.29A 1icrA-5f7vA:
undetectable
1icrB-5f7vA:
undetectable		 1icrA-5f7vA:
19.41
1icrB-5f7vA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER B 590
THR B 565
GLU B 649
GLY B 651
 None
 0.98A 1icrA-5fq6B:
undetectable
1icrB-5fq6B:
undetectable		 1icrA-5fq6B:
11.71
1icrB-5fq6B:
11.71
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 4 SER A 237
THR A 240
GLU A 281
GLY A 293
 None
 1.26A 1icrA-5hssA:
undetectable
1icrB-5hssA:
undetectable		 1icrA-5hssA:
18.64
1icrB-5hssA:
18.64
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.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 SER A 292
THR A 294
GLU A 333
GLY A 332
 None
 1.29A 1icrA-5htvA:
undetectable
1icrB-5htvA:
undetectable		 1icrA-5htvA:
20.14
1icrB-5htvA:
20.14
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 392
THR A 353
GLU A 456
GLY A 460
 None
 1.01A 1icrA-5kbrA:
undetectable
1icrB-5kbrA:
undetectable		 1icrA-5kbrA:
23.39
1icrB-5kbrA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 SER A 479
PHE A 589
GLU A 477
GLY A 475
 None
 1.23A 1icrA-5m41A:
undetectable
1icrB-5m41A:
undetectable		 1icrA-5m41A:
19.02
1icrB-5m41A:
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		4 SER A 920
THR A 921
GLU A 964
GLY A 963
 None
 1.20A 1icrA-5msoA:
undetectable
1icrB-5msoA:
undetectable		 1icrA-5msoA:
14.26
1icrB-5msoA:
14.26
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		4 SER A 158
THR A 192
GLU A 162
GLY A 129
 None
None
EDO  A 304 ( 3.8A)
EDO  A 304 (-3.3A)
 1.33A 1icrA-5tr9A:
undetectable
1icrB-5tr9A:
undetectable		 1icrA-5tr9A:
21.36
1icrB-5tr9A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 SER A 443
THR A 404
GLU A 507
GLY A 511
 ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
ACT  A 602 (-3.9A)
None
 0.90A 1icrA-5vefA:
undetectable
1icrB-5vefA:
undetectable		 1icrA-5vefA:
21.98
1icrB-5vefA:
21.98
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 SER A 381
THR A 380
PHE A 379
GLY A 384
 None
 1.11A 1icrA-5z2gA:
undetectable
1icrB-5z2gA:
undetectable		 1icrA-5z2gA:
20.69
1icrB-5z2gA:
20.69
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 SER A 155
THR A 165
GLU A  72
GLY A  69
 None
 1.10A 1icrA-6c4gA:
undetectable
1icrB-6c4gA:
undetectable		 1icrA-6c4gA:
16.29
1icrB-6c4gA:
16.29
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.
6cfz DAD1,DAD1
DAD3

(Chaetomium
thermophilum) 		no annotation 4 THR B  65
PHE F  59
GLU F  58
GLY F  56
 None
 1.35A 1icrA-6cfzB:
undetectable
1icrB-6cfzB:
undetectable		 1icrA-6cfzB:
16.67
1icrB-6cfzB:
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.
6cpl HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DR ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 THR A  41
PHE A  54
GLU A  55
GLY A  58
 SO4  A 304 ( 4.1A)
NA  C 401 ( 3.4A)
None
None
 0.96A 1icrA-6cplA:
undetectable
1icrB-6cplA:
undetectable		 1icrA-6cplA:
18.48
1icrB-6cplA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fk6 RHODOPSIN

(Bos taurus) 		no annotation 4 SER A 186
THR A  94
GLU A 181
GLY A 182
 BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
 1.21A 1icrA-6fk6A:
undetectable
1icrB-6fk6A:
undetectable		 1icrA-6fk6A:
15.21
1icrB-6fk6A:
15.21