SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICV_D_NIOD706_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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLU A 131
GLY A 130
SER A   1
THR A 173
 None
 1.28A 1icvC-1cqjA:
0.1
1icvD-1cqjA:
0.0		 1icvC-1cqjA:
21.45
1icvD-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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 GLU A 203
GLY A 205
SER A 211
THR A 220
 None
 0.97A 1icvC-1dmlA:
0.0
1icvD-1dmlA:
0.0		 1icvC-1dmlA:
21.23
1icvD-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 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
 0.99A 1icvC-1f3jA:
0.0
1icvD-1f3jA:
0.0		 1icvC-1f3jA:
17.12
1icvD-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 GLU A 100
GLY A  98
SER A 103
PHE A  47
 None
SO4  A 200 (-3.0A)
None
None
 1.24A 1icvC-1g33A:
undetectable
1icvD-1g33A:
undetectable		 1icvC-1g33A:
15.67
1icvD-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 GLU A 114
GLY A 101
SER A 112
THR A 111
 None
None
None
GOL  A 611 (-4.6A)
 1.12A 1icvC-1gq1A:
0.0
1icvD-1gq1A:
0.0		 1icvC-1gq1A:
18.88
1icvD-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 GLU L 156
GLY L 157
SER L 198
THR L 199
 None
 1.25A 1icvC-1hfeL:
0.1
1icvD-1hfeL:
0.2		 1icvC-1hfeL:
20.24
1icvD-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 GLU A 212
GLY A 215
SER A 174
THR A 175
 None
 1.27A 1icvC-1i4wA:
0.1
1icvD-1i4wA:
0.0		 1icvC-1i4wA:
20.22
1icvD-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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 GLU A 102
GLY A 100
SER A  69
THR A  62
 None
 1.19A 1icvC-1i7qA:
0.0
1icvD-1i7qA:
0.0		 1icvC-1i7qA:
18.34
1icvD-1i7qA:
18.34
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 GLU A 182
GLY A 183
SER A 180
PHE A 225
 None
 1.26A 1icvC-1iduA:
0.0
1icvD-1iduA:
0.0		 1icvC-1iduA:
16.91
1icvD-1iduA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		4 GLU A   8
GLY A  83
THR A 245
PHE A   7
 None
None
TRS  A 402 ( 4.0A)
TRS  A 402 (-3.5A)
 1.32A 1icvC-1jl0A:
0.0
1icvD-1jl0A:
0.0		 1icvC-1jl0A:
22.84
1icvD-1jl0A:
22.84
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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 GLY A 104
SER A 215
THR A  90
PHE A 107
 MFU  A 501 (-3.5A)
None
None
None
 1.32A 1icvC-1jxnA:
undetectable
1icvD-1jxnA:
undetectable		 1icvC-1jxnA:
21.84
1icvD-1jxnA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		4 GLU A 136
GLY A 135
SER A 103
THR A 104
 None
 1.32A 1icvC-1kbzA:
undetectable
1icvD-1kbzA:
undetectable		 1icvC-1kbzA:
25.24
1icvD-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 GLU A 142
GLY A 146
SER A 140
PHE A 158
 None
None
NAD  A1300 (-4.3A)
None
 1.27A 1icvC-1nffA:
undetectable
1icvD-1nffA:
undetectable		 1icvC-1nffA:
22.26
1icvD-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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 GLU A  69
GLY A  70
THR A 116
PHE A 117
 None
 1.08A 1icvC-1pemA:
undetectable
1icvD-1pemA:
undetectable		 1icvC-1pemA:
15.19
1icvD-1pemA:
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 GLU A 361
GLY A 360
SER A 162
PHE A 228
 None
 1.04A 1icvC-1q1lA:
1.2
1icvD-1q1lA:
1.3		 1icvC-1q1lA:
19.70
1icvD-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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF12573
(OxoDH_E1alpha_N) 		4 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1icvC-1qs0B:
undetectable
1icvD-1qs0B:
undetectable		 1icvC-1qs0B:
21.70
1icvD-1qs0B:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 GLU A 256
GLY A 258
SER A 307
THR A 220
 None
 0.89A 1icvC-1r53A:
1.7
1icvD-1r53A:
undetectable		 1icvC-1r53A:
21.73
1icvD-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.
1sy6 OKT3 FAB HEAVY CHAIN
T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF16680
(Ig_4)
PF16681
(Ig_5) 		4 GLU A 155
GLY A 153
SER H  54
THR H  30
 None
 1.30A 1icvC-1sy6A:
undetectable
1icvD-1sy6A:
undetectable		 1icvC-1sy6A:
23.93
1icvD-1sy6A:
23.93
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 404
SER A 410
THR A 268
PHE A 408
 ACE  A 633 (-3.1A)
None
None
None
 1.19A 1icvC-1tqyA:
undetectable
1icvD-1tqyA:
undetectable		 1icvC-1tqyA:
20.53
1icvD-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 GLU B  51
GLY B  52
SER B  49
THR B  72
 None
 1.09A 1icvC-1usvB:
undetectable
1icvD-1usvB:
undetectable		 1icvC-1usvB:
18.83
1icvD-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 GLU A 133
GLY A 132
SER A 100
THR A 101
 None
None
None
NAI  A 300 (-4.0A)
 1.20A 1icvC-1vl0A:
undetectable
1icvD-1vl0A:
undetectable		 1icvC-1vl0A:
21.02
1icvD-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 GLY A 293
SER A 324
THR A 290
PHE A 265
 None
 1.20A 1icvC-1xhbA:
undetectable
1icvD-1xhbA:
undetectable		 1icvC-1xhbA:
19.49
1icvD-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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.07A 1icvC-1zypA:
undetectable
1icvD-1zypA:
undetectable		 1icvC-1zypA:
23.21
1icvD-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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		4 GLU B  98
GLY B  95
SER C 110
PHE B  99
 None
 1.16A 1icvC-2e3xB:
undetectable
1icvD-2e3xB:
undetectable		 1icvC-2e3xB:
19.72
1icvD-2e3xB:
19.72
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 635
GLY A 639
SER A 571
THR A 532
 None
 0.92A 1icvC-2f57A:
undetectable
1icvD-2f57A:
undetectable		 1icvC-2f57A:
23.58
1icvD-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 GLU A 138
GLY A 137
SER A 106
THR A 107
 None
None
None
NDP  A 900 (-4.2A)
 1.20A 1icvC-2ggsA:
undetectable
1icvD-2ggsA:
undetectable		 1icvC-2ggsA:
24.01
1icvD-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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 GLU A 230
GLY A 189
SER A 228
PHE A 234
 None
 1.24A 1icvC-2gqtA:
undetectable
1icvD-2gqtA:
undetectable		 1icvC-2gqtA:
22.92
1icvD-2gqtA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLY A 148
SER A 211
THR A 207
PHE A 180
 None
 1.16A 1icvC-2h63A:
undetectable
1icvD-2h63A:
undetectable		 1icvC-2h63A:
22.22
1icvD-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 GLU A 627
GLY A 630
SER A 682
THR A 681
 None
 1.25A 1icvC-2hcsA:
undetectable
1icvD-2hcsA:
undetectable		 1icvC-2hcsA:
15.67
1icvD-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.
2j3s FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 GLU A2206
GLY A2208
SER A2180
THR A2179
 None
 1.29A 1icvC-2j3sA:
undetectable
1icvD-2j3sA:
undetectable		 1icvC-2j3sA:
20.89
1icvD-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 GLU A 348
GLY A 344
THR A 350
PHE A 361
 None
 1.27A 1icvC-2nxxA:
undetectable
1icvD-2nxxA:
undetectable		 1icvC-2nxxA:
19.49
1icvD-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 GLU A 207
GLY A 211
THR A 205
PHE A 208
 None
None
EDO  A1004 ( 4.4A)
None
 1.16A 1icvC-2pb0A:
undetectable
1icvD-2pb0A:
undetectable		 1icvC-2pb0A:
19.34
1icvD-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 GLU A  75
GLY A  85
SER A  89
THR A 103
 None
 0.90A 1icvC-2pbeA:
undetectable
1icvD-2pbeA:
undetectable		 1icvC-2pbeA:
19.87
1icvD-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 GLY A 313
SER A  69
THR A  70
PHE A  67
 None
 1.07A 1icvC-2qt3A:
undetectable
1icvD-2qt3A:
undetectable		 1icvC-2qt3A:
20.70
1icvD-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 GLU A  62
SER A  34
THR A  35
PHE A  31
 None
 1.30A 1icvC-2v6bA:
undetectable
1icvD-2v6bA:
undetectable		 1icvC-2v6bA:
23.17
1icvD-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 GLY A 273
SER A 325
THR A 328
PHE A 292
 C5P  A1344 (-3.2A)
None
None
C5P  A1344 (-4.6A)
 1.29A 1icvC-2wnbA:
undetectable
1icvD-2wnbA:
undetectable		 1icvC-2wnbA:
20.77
1icvD-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.
2xs5 DELETED IN
AZOOSPERMIA-LIKE

(Mus musculus) 		PF00076
(RRM_1) 		4 GLU A  68
SER A  86
THR A  41
PHE A  84
 None
None
U  C   4 ( 4.3A)
U  C   4 ( 3.6A)
 1.26A 1icvC-2xs5A:
undetectable
1icvD-2xs5A:
undetectable		 1icvC-2xs5A:
19.54
1icvD-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 GLU A  11
GLY A   8
THR A  13
PHE A  10
 CA  A1169 (-3.4A)
None
None
None
 1.22A 1icvC-2y6gA:
undetectable
1icvD-2y6gA:
undetectable		 1icvC-2y6gA:
21.50
1icvD-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 GLU A 250
GLY A 252
SER A  51
THR A  52
 None
 1.00A 1icvC-2ynkA:
undetectable
1icvD-2ynkA:
undetectable		 1icvC-2ynkA:
18.94
1icvD-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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.26A 1icvC-2z1aA:
undetectable
1icvD-2z1aA:
undetectable		 1icvC-2z1aA:
17.59
1icvD-2z1aA:
17.59
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 GLU A   7
GLY A   8
SER A 399
THR A 381
 None
 0.90A 1icvC-3bryA:
undetectable
1icvD-3bryA:
undetectable		 1icvC-3bryA:
20.00
1icvD-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.
3elz ILEAL BILE
ACID-BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		4 GLU A  86
GLY A  87
SER A  84
THR A  91
 None
 1.25A 1icvC-3elzA:
undetectable
1icvD-3elzA:
undetectable		 1icvC-3elzA:
20.44
1icvD-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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		4 GLY A 246
SER A 216
THR A 217
PHE A   8
 None
 1.32A 1icvC-3g7nA:
undetectable
1icvD-3g7nA:
undetectable		 1icvC-3g7nA:
20.00
1icvD-3g7nA:
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 GLU A 329
GLY A 330
SER A 511
PHE A 512
 None
None
None
H2S  A 740 ( 4.6A)
 0.87A 1icvC-3gitA:
undetectable
1icvD-3gitA:
undetectable		 1icvC-3gitA:
18.97
1icvD-3gitA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 GLU A 162
GLY A 163
SER A 158
THR A 156
 None
 1.01A 1icvC-3griA:
undetectable
1icvD-3griA:
undetectable		 1icvC-3griA:
20.71
1icvD-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 GLU A 132
GLY A 128
THR A 135
PHE A  95
 None
 1.12A 1icvC-3kzwA:
undetectable
1icvD-3kzwA:
undetectable		 1icvC-3kzwA:
18.66
1icvD-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.
3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
 1.27A 1icvC-3lqzA:
undetectable
1icvD-3lqzA:
undetectable		 1icvC-3lqzA:
23.04
1icvD-3lqzA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8j 2-METHYLCITRATE
SYNTHASE

(Salmonella
enterica) 		PF00285
(Citrate_synt) 		4 GLU A 297
GLY A 298
SER A 185
THR A 183
 GOL  A 409 ( 4.4A)
None
GOL  A 409 (-3.1A)
None
 1.31A 1icvC-3o8jA:
undetectable
1icvD-3o8jA:
undetectable		 1icvC-3o8jA:
17.73
1icvD-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 GLU A 118
GLY A 139
SER A 102
THR A 103
 None
 0.76A 1icvC-3pduA:
undetectable
1icvD-3pduA:
undetectable		 1icvC-3pduA:
21.20
1icvD-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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Bacillus
anthracis) 		PF04321
(RmlD_sub_bind) 		4 GLU A 135
GLY A 134
SER A 102
THR A 103
 None
None
None
NAP  A 285 (-4.0A)
 1.16A 1icvC-3sc6A:
undetectable
1icvD-3sc6A:
undetectable		 1icvC-3sc6A:
24.08
1icvD-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 GLU A  76
GLY A  78
SER A  83
THR A 120
 None
 0.93A 1icvC-3shpA:
undetectable
1icvD-3shpA:
undetectable		 1icvC-3shpA:
23.53
1icvD-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.
3tjz ADP-RIBOSYLATION
FACTOR 1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		4 GLU A 164
GLY A 165
SER A 162
THR A 161
 None
None
None
GNP  A 201 ( 4.0A)
 0.88A 1icvC-3tjzA:
undetectable
1icvD-3tjzA:
undetectable		 1icvC-3tjzA:
22.27
1icvD-3tjzA:
22.27
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 GLU A 346
GLY A 141
SER A 338
THR A 337
 None
 1.12A 1icvC-3ty1A:
undetectable
1icvD-3ty1A:
undetectable		 1icvC-3ty1A:
18.49
1icvD-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 GLU A 160
GLY A 158
SER A 138
THR A 139
 None
 1.17A 1icvC-3u5tA:
undetectable
1icvD-3u5tA:
undetectable		 1icvC-3u5tA:
24.82
1icvD-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.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 119
SER A   9
THR A  10
PHE A  62
 None
 1.20A 1icvC-3uogA:
undetectable
1icvD-3uogA:
undetectable		 1icvC-3uogA:
21.98
1icvD-3uogA:
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 GLU A 109
GLY A 108
THR A 111
PHE A 119
 None
 1.20A 1icvC-3vm5A:
undetectable
1icvD-3vm5A:
undetectable		 1icvC-3vm5A:
17.03
1icvD-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 GLU A 151
GLY A 149
SER A 118
THR A 119
 None
None
None
UD1  A 400 (-3.0A)
 1.14A 1icvC-3vpsA:
undetectable
1icvD-3vpsA:
undetectable		 1icvC-3vpsA:
22.12
1icvD-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 GLY A 132
SER A 192
THR A 188
PHE A 129
 None
 1.26A 1icvC-3zu0A:
undetectable
1icvD-3zu0A:
undetectable		 1icvC-3zu0A:
18.07
1icvD-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 GLY A 195
SER A 192
THR A 188
PHE A 129
 None
 1.32A 1icvC-3zu0A:
undetectable
1icvD-3zu0A:
undetectable		 1icvC-3zu0A:
18.07
1icvD-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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 GLU A  39
GLY A 402
SER A 342
THR A 343
 None
 1.12A 1icvC-3zxlA:
undetectable
1icvD-3zxlA:
undetectable		 1icvC-3zxlA:
16.57
1icvD-3zxlA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 245
SER A 634
THR A 635
PHE A  88
 None
 1.09A 1icvC-4a01A:
0.0
1icvD-4a01A:
undetectable		 1icvC-4a01A:
14.99
1icvD-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.
4ang COAT PROTEIN

(Pseudomonas
phage PRR1) 		PF01819
(Levi_coat) 		4 GLU A  42
GLY A  41
SER A  35
THR A  36
 None
 1.22A 1icvC-4angA:
undetectable
1icvD-4angA:
undetectable		 1icvC-4angA:
19.63
1icvD-4angA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btm TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 330
SER A 153
THR A 154
PHE A 332
 None
 1.14A 1icvC-4btmA:
undetectable
1icvD-4btmA:
undetectable		 1icvC-4btmA:
20.00
1icvD-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 GLU A1826
GLY A1823
SER A1829
THR A1828
 CA  A2050 ( 4.8A)
None
None
None
 1.03A 1icvC-4bxoA:
undetectable
1icvD-4bxoA:
undetectable		 1icvC-4bxoA:
19.48
1icvD-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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 GLU A 236
GLY A 235
SER A 192
THR A 193
 None
 1.27A 1icvC-4dqvA:
undetectable
1icvD-4dqvA:
undetectable		 1icvC-4dqvA:
18.98
1icvD-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 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 1.02A 1icvC-4fieA:
undetectable
1icvD-4fieA:
undetectable		 1icvC-4fieA:
19.67
1icvD-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 GLU B 115
GLY B 114
SER B  46
THR B  45
 HEM  B 201 ( 4.9A)
None
None
None
 1.26A 1icvC-4hrtB:
undetectable
1icvD-4hrtB:
undetectable		 1icvC-4hrtB:
22.62
1icvD-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 GLU A  78
GLY A  76
SER A  40
THR A  39
 None
 0.80A 1icvC-4isbA:
undetectable
1icvD-4isbA:
undetectable		 1icvC-4isbA:
18.55
1icvD-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 GLU A 593
GLY A 597
SER A 529
THR A 490
 None
 0.95A 1icvC-4ks8A:
undetectable
1icvD-4ks8A:
undetectable		 1icvC-4ks8A:
25.00
1icvD-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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 306
SER A 129
THR A 130
PHE A 308
 None
 1.18A 1icvC-4nfnA:
undetectable
1icvD-4nfnA:
undetectable		 1icvC-4nfnA:
20.87
1icvD-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 GLU A 646
GLY A 647
SER A 624
THR A 586
 None
 1.32A 1icvC-4oj5A:
undetectable
1icvD-4oj5A:
undetectable		 1icvC-4oj5A:
15.19
1icvD-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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 GLU A  55
GLY A  56
SER A  53
THR A  60
 None
 1.10A 1icvC-4p7hA:
undetectable
1icvD-4p7hA:
undetectable		 1icvC-4p7hA:
12.73
1icvD-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 GLU A 534
GLY A 533
SER A 530
THR A 454
 None
 1.10A 1icvC-4qawA:
undetectable
1icvD-4qawA:
undetectable		 1icvC-4qawA:
17.29
1icvD-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 GLU A 104
GLY B  64
SER B 215
THR B 216
 None
 1.16A 1icvC-4r1dA:
undetectable
1icvD-4r1dA:
undetectable		 1icvC-4r1dA:
16.76
1icvD-4r1dA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 GLU A 225
GLY A 131
SER A 216
PHE A 132
 None
 1.33A 1icvC-4rl6A:
undetectable
1icvD-4rl6A:
undetectable		 1icvC-4rl6A:
21.93
1icvD-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 GLU A 445
GLY A 446
THR A 435
PHE A 451
 None
 1.05A 1icvC-4uw2A:
undetectable
1icvD-4uw2A:
2.3		 1icvC-4uw2A:
14.95
1icvD-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 GLU A 135
GLY A 134
SER A 100
THR A 101
 None
 1.25A 1icvC-4wpgA:
undetectable
1icvD-4wpgA:
undetectable		 1icvC-4wpgA:
22.59
1icvD-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 GLU A 550
GLY A 549
THR A 515
PHE A 536
 None
 1.14A 1icvC-4wsiA:
undetectable
1icvD-4wsiA:
undetectable		 1icvC-4wsiA:
21.14
1icvD-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 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 0.95A 1icvC-4xbrA:
undetectable
1icvD-4xbrA:
undetectable		 1icvC-4xbrA:
21.35
1icvD-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.
4xt8 RV2671

(Mycobacterium
tuberculosis) 		PF01872
(RibD_C) 		4 GLU A  91
GLY A 195
SER A  59
PHE A  45
 TMQ  A 302 ( 3.2A)
NAP  A 301 (-3.4A)
TMQ  A 302 ( 3.0A)
NAP  A 301 ( 4.1A)
 1.26A 1icvC-4xt8A:
undetectable
1icvD-4xt8A:
undetectable		 1icvC-4xt8A:
25.09
1icvD-4xt8A:
25.09
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.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.06A 1icvC-4xvgA:
undetectable
1icvD-4xvgA:
undetectable		 1icvC-4xvgA:
17.40
1icvD-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 GLU A 630
SER A 168
THR A 169
PHE A 189
 None
 1.28A 1icvC-4yj1A:
undetectable
1icvD-4yj1A:
undetectable		 1icvC-4yj1A:
14.94
1icvD-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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 GLU A 630
SER A 168
THR A 169
PHE A 642
 None
 1.14A 1icvC-4yj1A:
undetectable
1icvD-4yj1A:
undetectable		 1icvC-4yj1A:
14.94
1icvD-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 GLU D  42
GLY D  43
SER D  40
THR D  51
 None
 1.21A 1icvC-5a6bD:
undetectable
1icvD-5a6bD:
undetectable		 1icvC-5a6bD:
16.75
1icvD-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 GLU A 241
GLY A 240
SER A 270
THR A 267
 None
MG  A2001 ( 4.4A)
None
None
 1.19A 1icvC-5e6sA:
undetectable
1icvD-5e6sA:
undetectable		 1icvC-5e6sA:
14.39
1icvD-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.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 GLU A 244
GLY A 247
SER A 242
THR A 241
 None
 1.24A 1icvC-5enoA:
2.7
1icvD-5enoA:
2.6		 1icvC-5enoA:
17.11
1icvD-5enoA:
17.11
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 GLU A 225
GLY A 208
SER A 223
THR A 220
 None
 1.26A 1icvC-5f7vA:
undetectable
1icvD-5f7vA:
undetectable		 1icvC-5f7vA:
19.41
1icvD-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 GLU B 649
GLY B 651
SER B 590
THR B 565
 None
 0.94A 1icvC-5fq6B:
undetectable
1icvD-5fq6B:
undetectable		 1icvC-5fq6B:
11.71
1icvD-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.
5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 GLU A 350
GLY A 357
SER A 482
THR A 481
 None
 1.24A 1icvC-5iudA:
undetectable
1icvD-5iudA:
undetectable		 1icvC-5iudA:
13.28
1icvD-5iudA:
13.28
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 GLU A 477
GLY A 475
SER A 479
PHE A 589
 None
 1.20A 1icvC-5m41A:
undetectable
1icvD-5m41A:
undetectable		 1icvC-5m41A:
19.02
1icvD-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 GLU A 964
GLY A 963
SER A 920
THR A 921
 None
 1.19A 1icvC-5msoA:
undetectable
1icvD-5msoA:
undetectable		 1icvC-5msoA:
14.26
1icvD-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.
5n2u NUCLEOPROTEIN

(Influenza D
virus) 		no annotation 4 GLU A 333
GLY A 335
THR A 320
PHE A 319
 None
 1.14A 1icvC-5n2uA:
undetectable
1icvD-5n2uA:
undetectable		 1icvC-5n2uA:
17.41
1icvD-5n2uA:
17.41
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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		4 GLU A 162
GLY A 129
SER A 158
THR A 192
 EDO  A 304 ( 3.8A)
EDO  A 304 (-3.3A)
None
None
 1.32A 1icvC-5tr9A:
undetectable
1icvD-5tr9A:
undetectable		 1icvC-5tr9A:
21.36
1icvD-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 GLU A 507
GLY A 511
SER A 443
THR A 404
 ACT  A 602 (-3.9A)
None
ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
 0.94A 1icvC-5vefA:
undetectable
1icvD-5vefA:
undetectable		 1icvC-5vefA:
21.98
1icvD-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 GLY A 384
SER A 381
THR A 380
PHE A 379
 None
 1.14A 1icvC-5z2gA:
undetectable
1icvD-5z2gA:
undetectable		 1icvC-5z2gA:
20.69
1icvD-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.
6apd AM22 FAB HEAVY
CHAIN,IGH@ PROTEIN

(Homo sapiens) 		no annotation 4 GLU D  52
GLY D  50
SER D  33
THR D  94
 None
 1.28A 1icvC-6apdD:
undetectable
1icvD-6apdD:
undetectable		 1icvC-6apdD:
15.38
1icvD-6apdD:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 GLU A  72
GLY A  69
SER A 155
THR A 165
 None
 1.10A 1icvC-6c4gA:
undetectable
1icvD-6c4gA:
undetectable		 1icvC-6c4gA:
16.29
1icvD-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.
6cpl HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DR ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
None
SO4  A 304 ( 4.1A)
NA  C 401 ( 3.4A)
 0.88A 1icvC-6cplA:
undetectable
1icvD-6cplA:
undetectable		 1icvC-6cplA:
18.48
1icvD-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 GLU A 181
GLY A 182
SER A 186
THR A  94
 BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
 1.18A 1icvC-6fk6A:
undetectable
1icvD-6fk6A:
undetectable		 1icvC-6fk6A:
15.21
1icvD-6fk6A:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 4 GLU F 101
GLY F 100
SER F 302
PHE F 353
 None
FMN  F 501 ( 4.1A)
None
None
 1.16A 1icvC-6g2jF:
undetectable
1icvD-6g2jF:
undetectable		 1icvC-6g2jF:
17.39
1icvD-6g2jF:
17.39