SIMILAR PATTERNS OF AMINO ACIDS FOR 1IG3_A_VIBA502

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.
1a44 PHOSPHATIDYLETHANOLA
MINE-BINDING PROTEIN

(Bos taurus) 		PF01161
(PBP) 		4 LEU A  67
SER A 108
ASP A  71
THR A 114
 None
 1.03A 1ig3A-1a44A:
0.0
1ig3B-1a44A:
0.0		 1ig3A-1a44A:
19.40
1ig3B-1a44A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 LEU A 222
SER A 257
ASN A 256
THR A 260
 None
 1.12A 1ig3A-1ac5A:
0.0
1ig3B-1ac5A:
2.1		 1ig3A-1ac5A:
19.43
1ig3B-1ac5A:
19.43
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.
1bwu PROTEIN (AGGLUTININ)

(Allium sativum) 		PF01453
(B_lectin) 		4 LEU Q  87
SER Q  42
GLN Q  26
THR Q  45
 None
MAN  Q 313 ( 3.9A)
MAN  Q 313 (-3.4A)
None
 1.07A 1ig3A-1bwuQ:
undetectable
1ig3B-1bwuQ:
undetectable		 1ig3A-1bwuQ:
19.08
1ig3B-1bwuQ:
19.08
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 SER A 117
ASN A 116
GLN A 113
THR A 102
 None
 1.08A 1ig3A-1ddkA:
0.0
1ig3B-1ddkA:
0.0		 1ig3A-1ddkA:
21.69
1ig3B-1ddkA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 TRP A 270
SER A 285
SER A 287
ASN A 288
 None
 0.17A 1ig3A-1ig0A:
25.7
1ig3B-1ig0A:
26.0		 1ig3A-1ig0A:
31.36
1ig3B-1ig0A:
31.36
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.
1ivl IGG-KAPPA M29B FV
(LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 SER A  18
SER A  74
ASN A  76
ASP A  82
 None
 1.11A 1ig3A-1ivlA:
undetectable
1ig3B-1ivlA:
undetectable		 1ig3A-1ivlA:
16.60
1ig3B-1ivlA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kn3 PHOSPHATIDYLETHANOLA
MINE BINDING
PROTEIN-2

(Mus musculus) 		PF01161
(PBP) 		4 LEU A  68
SER A 109
ASP A  72
THR A 115
 None
 1.01A 1ig3A-1kn3A:
undetectable
1ig3B-1kn3A:
0.0		 1ig3A-1kn3A:
19.34
1ig3B-1kn3A:
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 LEU A 456
SER A 452
ASP A 421
THR A 414
 None
 1.08A 1ig3A-1mf1A:
0.0
1ig3B-1mf1A:
0.0		 1ig3A-1mf1A:
20.93
1ig3B-1mf1A:
20.93
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.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  98
SER B  95
SER B  30
ASN B  31
 None
 0.99A 1ig3A-1nfdB:
undetectable
1ig3B-1nfdB:
0.0		 1ig3A-1nfdB:
20.29
1ig3B-1nfdB:
20.29
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.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus) 		PF00045
(Hemopexin) 		4 LEU A 380
SER A 241
GLN A 273
THR A 304
 PO4  A 501 (-3.5A)
None
None
None
 1.09A 1ig3A-1qjsA:
undetectable
1ig3B-1qjsA:
undetectable		 1ig3A-1qjsA:
20.57
1ig3B-1qjsA:
20.57
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 LEU A 115
SER A  37
ASN A  99
GLN A  29
 None
 1.12A 1ig3A-1rtrA:
undetectable
1ig3B-1rtrA:
undetectable		 1ig3A-1rtrA:
22.12
1ig3B-1rtrA:
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.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		4 SER A 158
ASN A 159
ASP A 161
THR A 165
 None
 1.02A 1ig3A-1s2nA:
2.6
1ig3B-1s2nA:
2.6		 1ig3A-1s2nA:
19.56
1ig3B-1s2nA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 SER A  11
ASN A  12
GLN A 135
ASP A 246
 None
 0.89A 1ig3A-1vm7A:
2.8
1ig3B-1vm7A:
3.8		 1ig3A-1vm7A:
24.36
1ig3B-1vm7A:
24.36
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		4 LEU C 226
SER C 191
ASN C 189
THR C  67
 None
 1.12A 1ig3A-2advC:
undetectable
1ig3B-2advC:
undetectable		 1ig3A-2advC:
18.75
1ig3B-2advC:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7h HEMOGLOBIN BETA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		4 SER B  72
SER B  70
ASN B  69
THR B  84
 None
HEM  B 200 (-3.3A)
None
None
 1.08A 1ig3A-2b7hB:
undetectable
1ig3B-2b7hB:
undetectable		 1ig3A-2b7hB:
20.00
1ig3B-2b7hB:
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.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus) 		PF10503
(Esterase_phd) 		4 LEU A 209
SER A 236
GLN A 338
THR A 239
 None
 0.98A 1ig3A-2d81A:
4.3
1ig3B-2d81A:
4.5		 1ig3A-2d81A:
21.18
1ig3B-2d81A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus) 		PF10503
(Esterase_phd) 		4 LEU A 228
SER A 236
GLN A 338
THR A 239
 None
 0.95A 1ig3A-2d81A:
4.3
1ig3B-2d81A:
4.5		 1ig3A-2d81A:
21.18
1ig3B-2d81A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwr OUTER CAPSID PROTEIN

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		4 TRP A 102
SER A  99
ASN A  98
THR A 190
 None
 1.03A 1ig3A-2dwrA:
undetectable
1ig3B-2dwrA:
undetectable		 1ig3A-2dwrA:
19.11
1ig3B-2dwrA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.11A 1ig3A-2f17A:
42.0
1ig3B-2f17A:
41.5		 1ig3A-2f17A:
100.00
1ig3B-2f17A:
100.00
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A 194
GLN A  62
ASP A 230
THR A 242
 None
None
CA  A   1 (-2.1A)
None
 1.10A 1ig3A-2gskA:
undetectable
1ig3B-2gskA:
undetectable		 1ig3A-2gskA:
16.53
1ig3B-2gskA:
16.53
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A  20
SER A 313
GLN A 287
THR A 309
 None
 1.13A 1ig3A-2j6iA:
2.6
1ig3B-2j6iA:
2.8		 1ig3A-2j6iA:
20.95
1ig3B-2j6iA:
20.95
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.
2kc7 BFR218_PROTEIN

(Bacteroides
fragilis) 		PF00515
(TPR_1) 		4 LEU A  20
ASN A  57
GLN A  52
ASP A  50
 None
 0.88A 1ig3A-2kc7A:
undetectable
1ig3B-2kc7A:
undetectable		 1ig3A-2kc7A:
15.62
1ig3B-2kc7A:
15.62
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.
2kdy FACTOR H BINDING
PROTEIN VARIANT
B01_001

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		4 LEU A  69
SER A  80
GLN A 107
ASP A 139
 None
 1.09A 1ig3A-2kdyA:
undetectable
1ig3B-2kdyA:
undetectable		 1ig3A-2kdyA:
22.30
1ig3B-2kdyA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 LEU A 215
SER A 140
ASP A 185
THR A 146
 None
 1.06A 1ig3A-2oodA:
1.7
1ig3B-2oodA:
undetectable		 1ig3A-2oodA:
20.09
1ig3B-2oodA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qkd ZINC FINGER PROTEIN
ZPR1

(Mus musculus) 		PF03367
(zf-ZPR1) 		4 LEU A 232
SER A 122
ASP A 197
THR A 125
 None
 1.05A 1ig3A-2qkdA:
undetectable
1ig3B-2qkdA:
2.0		 1ig3A-2qkdA:
21.13
1ig3B-2qkdA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r0x POSSIBLE FLAVIN
REDUCTASE

(Histophilus
somni) 		PF01613
(Flavin_Reduct) 		4 LEU A  72
SER A  97
GLN A  29
THR A  99
 None
 1.02A 1ig3A-2r0xA:
undetectable
1ig3B-2r0xA:
undetectable		 1ig3A-2r0xA:
23.21
1ig3B-2r0xA:
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		4 LEU A  50
SER A  36
GLN A  72
THR A 263
 None
None
None
HEM  A 500 ( 4.9A)
 1.08A 1ig3A-2r79A:
1.4
1ig3B-2r79A:
undetectable		 1ig3A-2r79A:
23.68
1ig3B-2r79A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		5 SER A  27
SER A  15
ASN A  16
ASP A 104
THR A  19
 None
 1.33A 1ig3A-2rccA:
undetectable
1ig3B-2rccA:
undetectable		 1ig3A-2rccA:
23.80
1ig3B-2rccA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 LEU A 521
SER A 555
ASP A 536
THR A 541
 None
 1.12A 1ig3A-2vz9A:
undetectable
1ig3B-2vz9A:
undetectable		 1ig3A-2vz9A:
7.48
1ig3B-2vz9A:
7.48
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 SER A  10
ASN A  81
GLN A 247
THR A 268
 None
None
GOL  A1511 (-4.1A)
None
 1.04A 1ig3A-2w40A:
undetectable
1ig3B-2w40A:
undetectable		 1ig3A-2w40A:
20.04
1ig3B-2w40A:
20.04
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		4 LEU A 231
SER A  62
ASN A  64
ASP A  57
 None
 1.11A 1ig3A-2w6dA:
undetectable
1ig3B-2w6dA:
undetectable		 1ig3A-2w6dA:
18.08
1ig3B-2w6dA:
18.08
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.
2y0e UDP-GLUCOSE
DEHYDROGENASE

(Burkholderia
cepacia) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 LEU A  13
SER A  67
GLN A  33
ASP A  32
 None
 1.10A 1ig3A-2y0eA:
undetectable
1ig3B-2y0eA:
2.1		 1ig3A-2y0eA:
20.45
1ig3B-2y0eA:
20.45
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASN A 356
GLN A 354
ASP A 310
THR A 308
 None
None
ZN  A 700 ( 2.6A)
None
 1.07A 1ig3A-2yheA:
undetectable
1ig3B-2yheA:
undetectable		 1ig3A-2yheA:
17.22
1ig3B-2yheA:
17.22
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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 387
SER B 432
ASN B 433
GLN B 380
 None
NAG  A 833 ( 3.9A)
None
NAG  A 831 ( 3.8A)
 1.15A 1ig3A-2z7xB:
undetectable
1ig3B-2z7xB:
undetectable		 1ig3A-2z7xB:
20.08
1ig3B-2z7xB:
20.08
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 SER A 155
ASN A 157
GLN A 164
THR A 193
 PO4  A6265 (-3.0A)
None
None
None
 1.02A 1ig3A-3aexA:
2.2
1ig3B-3aexA:
2.2		 1ig3A-3aexA:
20.50
1ig3B-3aexA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm9 SIGNAL RECOGNITION
PARTICLE RECEPTOR

(Pyrococcus
furiosus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU B 223
ASN B 132
ASP B 212
THR B 139
 None
PO4  B 323 (-4.6A)
None
None
 1.03A 1ig3A-3dm9B:
2.4
1ig3B-3dm9B:
2.4		 1ig3A-3dm9B:
22.39
1ig3B-3dm9B:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 LEU A 292
SER A 403
GLN A 408
ASP A 407
 None
 0.95A 1ig3A-3dwbA:
undetectable
1ig3B-3dwbA:
undetectable		 1ig3A-3dwbA:
17.65
1ig3B-3dwbA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		4 TRP A 593
SER A  64
ASN A  93
ASP A 594
 None
NAG  A   1 (-2.9A)
NAG  A   1 (-2.1A)
None
 1.10A 1ig3A-3fgwA:
undetectable
1ig3B-3fgwA:
undetectable		 1ig3A-3fgwA:
18.88
1ig3B-3fgwA:
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.
3hjg PUTATIVE
ALPHA-RIBAZOLE-5'-PH
OSPHATE PHOSPHATASE
COBC

(Vibrio
parahaemolyticus) 		PF00300
(His_Phos_1) 		4 LEU A  20
SER A 170
GLN A 107
ASP A 103
 None
 1.14A 1ig3A-3hjgA:
undetectable
1ig3B-3hjgA:
undetectable		 1ig3A-3hjgA:
20.96
1ig3B-3hjgA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 780
SER A 809
SER A 800
THR A 569
 None
 1.15A 1ig3A-3ho8A:
undetectable
1ig3B-3ho8A:
undetectable		 1ig3A-3ho8A:
12.75
1ig3B-3ho8A:
12.75
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.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		4 LEU A  20
SER A 100
ASN A 101
ASP A 217
 None
 1.05A 1ig3A-3hzuA:
undetectable
1ig3B-3hzuA:
undetectable		 1ig3A-3hzuA:
23.96
1ig3B-3hzuA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		4 LEU A 180
SER A  44
ASP A  78
THR A  76
 None
None
CA  A 192 (-3.1A)
None
 1.13A 1ig3A-3ibzA:
undetectable
1ig3B-3ibzA:
undetectable		 1ig3A-3ibzA:
21.07
1ig3B-3ibzA:
21.07
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.
3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2

(Salmonella
enterica) 		PF04131
(NanE) 		4 SER A 155
SER A 135
ASP A 132
THR A 107
 SO4  A 231 ( 3.8A)
SO4  A 232 (-2.7A)
None
None
 0.99A 1ig3A-3igsA:
undetectable
1ig3B-3igsA:
undetectable		 1ig3A-3igsA:
20.35
1ig3B-3igsA:
20.35
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.
3jvf INTERLEUKIN-17F

(Homo sapiens) 		PF06083
(IL17) 		4 SER A  90
ASN A  89
ASP A  85
THR A  49
 None
 0.93A 1ig3A-3jvfA:
undetectable
1ig3B-3jvfA:
undetectable		 1ig3A-3jvfA:
18.85
1ig3B-3jvfA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		4 ASN A 120
GLN A 116
ASP A 115
THR A 111
 None
 1.11A 1ig3A-3lo0A:
undetectable
1ig3B-3lo0A:
undetectable		 1ig3A-3lo0A:
22.93
1ig3B-3lo0A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		4 LEU A 662
SER A 666
GLN A 816
THR A 761
 None
 0.90A 1ig3A-3m62A:
undetectable
1ig3B-3m62A:
undetectable		 1ig3A-3m62A:
14.15
1ig3B-3m62A:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oev PROTEASOME COMPONENT
Y13

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 SER B 154
SER B 151
ASN B 156
ASP B 118
 None
 0.96A 1ig3A-3oevB:
undetectable
1ig3B-3oevB:
undetectable		 1ig3A-3oevB:
22.15
1ig3B-3oevB:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		4 SER A 192
ASN A 167
ASP A 229
THR A 202
 None
 1.14A 1ig3A-3om5A:
undetectable
1ig3B-3om5A:
undetectable		 1ig3A-3om5A:
18.83
1ig3B-3om5A:
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 SER A 186
SER A 206
ASP A 179
THR A 202
 None
 1.05A 1ig3A-3pdkA:
2.2
1ig3B-3pdkA:
2.4		 1ig3A-3pdkA:
20.99
1ig3B-3pdkA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		4 LEU A 288
SER A  82
ASP A  65
THR A   6
 None
 1.10A 1ig3A-3pnzA:
undetectable
1ig3B-3pnzA:
undetectable		 1ig3A-3pnzA:
21.59
1ig3B-3pnzA:
21.59
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.
3qlv GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 5

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 TRP A 372
SER A 131
SER A 127
THR A 226
 None
 1.02A 1ig3A-3qlvA:
3.1
1ig3B-3qlvA:
2.1		 1ig3A-3qlvA:
20.69
1ig3B-3qlvA:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.25A 1ig3A-3s4yA:
35.1
1ig3B-3s4yA:
35.6		 1ig3A-3s4yA:
82.20
1ig3B-3s4yA:
82.20
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 292
SER A 288
SER A 232
GLN A 443
 None
 1.10A 1ig3A-3s9vA:
undetectable
1ig3B-3s9vA:
undetectable		 1ig3A-3s9vA:
16.07
1ig3B-3s9vA:
16.07
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 SER A 323
ASN A 316
GLN A 309
THR A 353
 None
 1.13A 1ig3A-3sweA:
undetectable
1ig3B-3sweA:
undetectable		 1ig3A-3sweA:
20.88
1ig3B-3sweA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 LEU A 519
SER A 460
ASN A 490
GLN A 463
 None
 1.00A 1ig3A-3t6qA:
undetectable
1ig3B-3t6qA:
undetectable		 1ig3A-3t6qA:
16.78
1ig3B-3t6qA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v65 AGRIN

(Rattus
norvegicus) 		PF00054
(Laminin_G_1) 		4 LEU A1833
SER A1793
ASN A1794
GLN A1887
 None
 1.14A 1ig3A-3v65A:
undetectable
1ig3B-3v65A:
undetectable		 1ig3A-3v65A:
21.27
1ig3B-3v65A:
21.27
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 LEU A  11
SER A 255
SER A 109
ASP A  58
 None
 1.14A 1ig3A-3vv3A:
2.4
1ig3B-3vv3A:
2.5		 1ig3A-3vv3A:
20.30
1ig3B-3vv3A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		4 SER A  87
ASN A  83
GLN A  58
THR A  56
 None
 1.09A 1ig3A-3w9iA:
undetectable
1ig3B-3w9iA:
undetectable		 1ig3A-3w9iA:
12.82
1ig3B-3w9iA:
12.82
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.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		4 LEU A 155
SER A 178
SER A 180
GLN A 558
 None
 1.09A 1ig3A-3wonA:
undetectable
1ig3B-3wonA:
undetectable		 1ig3A-3wonA:
16.02
1ig3B-3wonA:
16.02
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.
3ww0 PROTEIN HIKESHI

(Homo sapiens) 		PF05603
(DUF775) 		4 LEU B 193
SER B 133
ASN B 129
ASP B 136
 None
 1.14A 1ig3A-3ww0B:
undetectable
1ig3B-3ww0B:
2.5		 1ig3A-3ww0B:
18.70
1ig3B-3ww0B:
18.70
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		4 LEU A 175
SER A 383
GLN A 393
ASP A 396
 None
 1.07A 1ig3A-4aq4A:
undetectable
1ig3B-4aq4A:
undetectable		 1ig3A-4aq4A:
21.33
1ig3B-4aq4A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 4 LEU A 311
SER A 254
SER A 252
ASP A 259
 None
 1.09A 1ig3A-4aw7A:
2.3
1ig3B-4aw7A:
3.7		 1ig3A-4aw7A:
20.78
1ig3B-4aw7A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A  49
ASN A 249
GLN A 218
THR A 240
 None
 1.00A 1ig3A-4c2tA:
undetectable
1ig3B-4c2tA:
undetectable		 1ig3A-4c2tA:
16.27
1ig3B-4c2tA:
16.27
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 235
SER A 233
SER A 231
ASN A 365
 None
 1.06A 1ig3A-4dy0A:
undetectable
1ig3B-4dy0A:
undetectable		 1ig3A-4dy0A:
21.94
1ig3B-4dy0A:
21.94
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		4 LEU A 299
ASN A 304
ASP A 131
THR A 129
 None
None
None
TRS  A 501 (-4.4A)
 1.03A 1ig3A-4e4rA:
4.2
1ig3B-4e4rA:
undetectable		 1ig3A-4e4rA:
20.72
1ig3B-4e4rA:
20.72
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.
4fc9 UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		no annotation 4 LEU B 533
SER B 514
ASN B 506
ASP B 603
 None
 1.13A 1ig3A-4fc9B:
undetectable
1ig3B-4fc9B:
undetectable		 1ig3A-4fc9B:
26.28
1ig3B-4fc9B:
26.28
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.
4fle ESTERASE

(Yersinia
enterocolitica) 		PF05728
(UPF0227) 		4 LEU A 118
SER A  13
ASN A  12
GLN A  40
 None
 0.98A 1ig3A-4fleA:
undetectable
1ig3B-4fleA:
undetectable		 1ig3A-4fleA:
21.29
1ig3B-4fleA:
21.29
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.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 4 SER A 244
SER A 647
ASN A 648
GLN A 375
 None
PO4  A 801 ( 3.7A)
None
None
 1.14A 1ig3A-4fyeA:
undetectable
1ig3B-4fyeA:
undetectable		 1ig3A-4fyeA:
17.06
1ig3B-4fyeA:
17.06
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF10156
(Med17)
no annotation 		4 LEU K 111
SER Q 281
SER Q 269
THR Q 346
 None
 0.95A 1ig3A-4h63K:
undetectable
1ig3B-4h63K:
undetectable		 1ig3A-4h63K:
18.15
1ig3B-4h63K:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 LEU A 260
SER A 223
GLN A 166
THR A 191
 None
 0.89A 1ig3A-4j35A:
undetectable
1ig3B-4j35A:
undetectable		 1ig3A-4j35A:
21.68
1ig3B-4j35A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwj TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01746
(tRNA_m1G_MT) 		4 LEU A 152
SER A 116
ASN A 117
THR A 248
 None
None
None
SAH  A 302 ( 4.4A)
 1.10A 1ig3A-4jwjA:
undetectable
1ig3B-4jwjA:
undetectable		 1ig3A-4jwjA:
22.71
1ig3B-4jwjA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 812
SER A 379
SER A 381
ASN A 383
 None
 1.12A 1ig3A-4kxbA:
undetectable
1ig3B-4kxbA:
undetectable		 1ig3A-4kxbA:
14.77
1ig3B-4kxbA:
14.77
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.
4l63 ECXA

(Escherichia
coli) 		PF16313
(DUF4953) 		4 SER A 111
SER A 133
ASN A 132
THR A 125
 None
 1.10A 1ig3A-4l63A:
undetectable
1ig3B-4l63A:
undetectable		 1ig3A-4l63A:
21.53
1ig3B-4l63A:
21.53
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 TRP A1345
SER A1325
ASP A1343
THR A1296
 None
 1.02A 1ig3A-4r04A:
2.0
1ig3B-4r04A:
2.4		 1ig3A-4r04A:
8.73
1ig3B-4r04A:
8.73
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 LEU A  84
SER A 124
ASN A 127
ASP A  95
 None
 0.86A 1ig3A-4rvwA:
undetectable
1ig3B-4rvwA:
undetectable		 1ig3A-4rvwA:
17.66
1ig3B-4rvwA:
17.66
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.
4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28

(Cytomegalovirus) 		PF00001
(7tm_1) 		4 SER A 148
ASN A  74
ASP A 128
THR A 123
 None
UNL  A 413 ( 3.9A)
UNL  A 412 ( 4.2A)
SIN  A 416 (-3.6A)
 1.14A 1ig3A-4xt1A:
undetectable
1ig3B-4xt1A:
undetectable		 1ig3A-4xt1A:
19.67
1ig3B-4xt1A:
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 LEU A 377
SER A 197
ASP A  73
THR A  78
 None
DMS  A 503 (-3.6A)
None
None
 1.05A 1ig3A-4yrpA:
undetectable
1ig3B-4yrpA:
2.2		 1ig3A-4yrpA:
19.47
1ig3B-4yrpA:
19.47
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 584
SER A 582
GLN A 308
THR A 303
 None
 0.91A 1ig3A-4z26A:
undetectable
1ig3B-4z26A:
undetectable		 1ig3A-4z26A:
17.30
1ig3B-4z26A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 SER A 274
SER A  86
ASP A  69
THR A  94
 None
None
None
NA  A 401 (-3.4A)
 1.08A 1ig3A-4zqiA:
undetectable
1ig3B-4zqiA:
undetectable		 1ig3A-4zqiA:
21.59
1ig3B-4zqiA:
21.59
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.
5a6f GATING RING OF
POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a) 		4 LEU C 496
SER C 946
GLN C 469
THR C 950
 None
 1.14A 1ig3A-5a6fC:
3.1
1ig3B-5a6fC:
4.1		 1ig3A-5a6fC:
15.76
1ig3B-5a6fC:
15.76
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.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		4 SER A 104
SER A 106
ASN A 107
ASP A  64
 None
 1.14A 1ig3A-5b0nA:
undetectable
1ig3B-5b0nA:
undetectable		 1ig3A-5b0nA:
21.32
1ig3B-5b0nA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 LEU A 599
ASN A 476
GLN A 609
THR A 481
 PGE  A 905 (-4.7A)
PGE  A 905 (-4.3A)
None
PGE  A 906 (-4.4A)
 1.02A 1ig3A-5bwdA:
undetectable
1ig3B-5bwdA:
undetectable		 1ig3A-5bwdA:
14.22
1ig3B-5bwdA:
14.22
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 LEU A 176
SER A 591
ASN A 590
ASP A 617
 None
 1.13A 1ig3A-5djwA:
undetectable
1ig3B-5djwA:
undetectable		 1ig3A-5djwA:
16.50
1ig3B-5djwA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 SER A 367
ASN A 377
GLN A 371
ASP A 370
 None
MG  A1102 (-2.6A)
None
None
 1.14A 1ig3A-5f7uA:
2.7
1ig3B-5f7uA:
3.1		 1ig3A-5f7uA:
12.26
1ig3B-5f7uA:
12.26
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.
5h5v FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF02465
(FliD_N)
PF07195
(FliD_C) 		4 SER A 144
SER A 148
ASN A 147
THR A 123
 None
 1.04A 1ig3A-5h5vA:
undetectable
1ig3B-5h5vA:
undetectable		 1ig3A-5h5vA:
21.47
1ig3B-5h5vA:
21.47
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.
5h5w FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF07195
(FliD_C)
PF07196
(Flagellin_IN) 		4 SER A 144
SER A 148
ASN A 147
THR A 123
 None
 1.08A 1ig3A-5h5wA:
undetectable
1ig3B-5h5wA:
undetectable		 1ig3A-5h5wA:
23.84
1ig3B-5h5wA:
23.84
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.
5hi3 INTERLEUKIN-17A

(Homo sapiens) 		PF06083
(IL17) 		4 SER A  89
ASN A  88
ASP A  84
THR A  48
 None
 1.02A 1ig3A-5hi3A:
undetectable
1ig3B-5hi3A:
undetectable		 1ig3A-5hi3A:
19.16
1ig3B-5hi3A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 LEU A1071
ASN A1046
ASP A1380
THR A1359
 None
 1.01A 1ig3A-5jbeA:
undetectable
1ig3B-5jbeA:
undetectable		 1ig3A-5jbeA:
15.32
1ig3B-5jbeA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3)
PF06444
(NADH_dehy_S2_C) 		4 LEU N  61
SER K  24
ASP K  88
THR J  76
 None
 1.03A 1ig3A-5lc5N:
undetectable
1ig3B-5lc5N:
undetectable		 1ig3A-5lc5N:
20.77
1ig3B-5lc5N:
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.
5lvc VP1

(Aichivirus A) 		no annotation 4 LEU a 202
SER a 110
ASN a 111
ASP a 211
 None
 0.88A 1ig3A-5lvca:
3.2
1ig3B-5lvca:
undetectable		 1ig3A-5lvca:
23.37
1ig3B-5lvca:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5myb ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF00041
(fn3) 		4 SER A 721
ASN A 722
ASP A 711
THR A 671
 None
 1.07A 1ig3A-5mybA:
undetectable
1ig3B-5mybA:
undetectable		 1ig3A-5mybA:
20.85
1ig3B-5mybA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 4 TRP A 255
SER A 123
ASN A 119
GLN A 259
 None
 1.14A 1ig3A-5o9hA:
undetectable
1ig3B-5o9hA:
undetectable		 1ig3A-5o9hA:
14.78
1ig3B-5o9hA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 TRP A 258
SER A  59
ASN A 194
THR A 204
 None
 0.85A 1ig3A-5u1wA:
undetectable
1ig3B-5u1wA:
undetectable		 1ig3A-5u1wA:
23.16
1ig3B-5u1wA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukg K-GECO

(Entacmaea
quadricolor) 		no annotation 4 LEU A  63
SER A 265
ASN A  32
GLN A 273
 None
None
NRQ  A 186 ( 3.6A)
None
 1.14A 1ig3A-5ukgA:
undetectable
1ig3B-5ukgA:
undetectable		 1ig3A-5ukgA:
20.44
1ig3B-5ukgA:
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		4 TRP A 244
LEU A 241
ASN A 188
THR A 181
 SO4  A 401 (-3.9A)
None
None
None
 1.10A 1ig3A-5um2A:
undetectable
1ig3B-5um2A:
undetectable		 1ig3A-5um2A:
25.07
1ig3B-5um2A:
25.07
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39
PROTEIN NAM8

(Saccharomyces
cerevisiae) 		no annotation 4 LEU F 323
ASN E 426
ASP E 365
THR E 370
 None
 1.05A 1ig3A-5uz5F:
undetectable
1ig3B-5uz5F:
undetectable		 1ig3A-5uz5F:
19.27
1ig3B-5uz5F:
19.27
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 4 SER A 728
ASN A 730
GLN A 377
ASP A 375
 None
 1.12A 1ig3A-5vm9A:
5.0
1ig3B-5vm9A:
5.1		 1ig3A-5vm9A:
14.77
1ig3B-5vm9A:
14.77
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.
5vqi IMPORTIN SUBUNIT
ALPHA

(Neurospora
crassa) 		no annotation 4 LEU B 427
SER B 402
SER B 406
GLN B 414
 None
 1.01A 1ig3A-5vqiB:
undetectable
1ig3B-5vqiB:
undetectable		 1ig3A-5vqiB:
21.66
1ig3B-5vqiB:
21.66
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.
5vx5 OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 4 TRP A 102
SER A  99
ASN A  98
THR A 190
 None
 1.02A 1ig3A-5vx5A:
undetectable
1ig3B-5vx5A:
undetectable		 1ig3A-5vx5A:
undetectable
1ig3B-5vx5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ey0 LLAMA NANOBODY NB01

(Lama glama) 		no annotation 4 LEU E 100
SER E  33
SER E  31
ASP E 101
 None
 0.97A 1ig3A-6ey0E:
undetectable
1ig3B-6ey0E:
undetectable		 1ig3A-6ey0E:
13.69
1ig3B-6ey0E:
13.69