SIMILAR PATTERNS OF AMINO ACIDS FOR 6B8K_A_W9TA300_0

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.
1c1f PROTEIN (CONGERIN I)

(Conger
myriaster) 		PF00337
(Gal-bind_lectin) 		6 HIS A  44
ARG A  48
ASN A  61
TRP A  70
GLU A  73
ARG A  75
 None
 0.20A 6b8kA-1c1fA:
17.4		 6b8kA-1c1fA:
25.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gan GALECTIN-1

(Rhinella
arenarum) 		PF00337
(Gal-bind_lectin) 		7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 136 (-4.0A)
GAL  A 136 (-3.8A)
NDG  A 135 ( 2.8A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
NDG  A 135 (-3.4A)
 0.63A 6b8kA-1ganA:
19.7		 6b8kA-1ganA:
35.29
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.
1hlc HUMAN LECTIN

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.50A 6b8kA-1hlcA:
19.8		 6b8kA-1hlcA:
26.13
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.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASN A 100
ARG A  68
ASN A  63
GLU A  44
 None
 1.11A 6b8kA-1hplA:
undetectable		 6b8kA-1hplA:
10.35
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.
1irf INTERFERON
REGULATORY FACTOR-2

(Mus musculus) 		PF00605
(IRF) 		4 ASN A  86
ARG A  82
GLU A  93
ARG A 107
 None
 1.30A 6b8kA-1irfA:
undetectable		 6b8kA-1irfA:
20.83
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASN B 100
ARG B  68
ASN B  63
GLU B  44
 None
 1.07A 6b8kA-1lpbB:
undetectable		 6b8kA-1lpbB:
8.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2y SIMILAR TO
HYPOTHETICAL
PROTEINS

(Bacillus
subtilis) 		PF13673
(Acetyltransf_10) 		4 HIS A 134
ASN A 105
GLU A  69
ARG A  58
 None
 1.19A 6b8kA-1q2yA:
undetectable		 6b8kA-1q2yA:
17.36
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ASN A 143
ASN A 104
GLU A  69
ARG A  68
 None
None
CA  A 906 ( 2.4A)
None
 0.00A 6b8kA-1q5aA:
undetectable		 6b8kA-1q5aA:
7.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qmj BETA-GALACTOSIDE-BIN
DING LECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 None
 0.40A 6b8kA-1qmjA:
19.7		 6b8kA-1qmjA:
32.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1slc BOVINE GALECTIN-1

(Bos taurus) 		PF00337
(Gal-bind_lectin) 		7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 352 ( 3.8A)
GAL  A 352 ( 4.2A)
NAG  A 351 ( 3.1A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
NAG  A 351 ( 3.0A)
 0.83A 6b8kA-1slcA:
19.5		 6b8kA-1slcA:
36.59
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.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		4 ARG A 130
ASN A  50
GLU A  49
ARG A  68
 None
 1.13A 6b8kA-1tuhA:
undetectable		 6b8kA-1tuhA:
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.
1ule GALECTIN-2

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		6 HIS A  51
ARG A  55
ASN A  64
TRP A  72
GLU A  75
ARG A  77
 GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
GAL  A 152 (-3.9A)
GAL  A 152 (-3.8A)
NAG  A 153 ( 2.8A)
NAG  A 153 (-3.5A)
 0.30A 6b8kA-1uleA:
17.2		 6b8kA-1uleA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v29 NITRILE HYDRATASE A
CHAIN
NITRILE HYDRATASE B
CHAIN

(Bacillus
smithii;
Bacillus
smithii) 		PF02979
(NHase_alpha)
PF02211
(NHase_beta) 		4 ARG B 200
ASN B 212
GLU A 167
ARG A 169
 None
 1.18A 6b8kA-1v29B:
undetectable		 6b8kA-1v29B:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wlc CONGERIN II

(Conger
myriaster) 		PF00337
(Gal-bind_lectin) 		6 HIS A  44
ARG A  48
ASN A  61
TRP A  69
GLU A  72
ARG A  74
 MES  A 777 ( 4.6A)
None
None
None
None
None
 0.50A 6b8kA-1wlcA:
19.5		 6b8kA-1wlcA:
30.12
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.
1ww6 GALECTIN

(Agrocybe
cylindracea) 		PF00337
(Gal-bind_lectin) 		6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
BGC  A 201 ( 4.3A)
 0.57A 6b8kA-1ww6A:
15.8		 6b8kA-1ww6A:
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.
1ynt MAJOR SURFACE
ANTIGEN P30

(Toxoplasma
gondii) 		PF04092
(SAG) 		4 ASN F2028
TRP F2080
GLU F2100
ARG F2141
 None
 1.15A 6b8kA-1yntF:
undetectable		 6b8kA-1yntF:
15.77
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 HIS A 297
ARG A 290
GLU A 306
ARG A 289
 None
 1.29A 6b8kA-2abjA:
undetectable		 6b8kA-2abjA:
13.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d6l LECTIN, GALACTOSE
BINDING, SOLUBLE 9

(Mus musculus) 		PF00337
(Gal-bind_lectin) 		7 HIS X  60
ASN X  62
ARG X  64
ASN X  74
TRP X  81
GLU X  84
ARG X  86
 None
 0.50A 6b8kA-2d6lX:
23.5		 6b8kA-2d6lX:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dyc GALECTIN-4

(Mus musculus) 		PF00337
(Gal-bind_lectin) 		6 HIS A  63
ASN A  65
ARG A  67
ASN A  77
TRP A  84
GLU A  87
 None
 0.40A 6b8kA-2dycA:
23.7		 6b8kA-2dycA:
25.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 ASN A  39
ASN A  83
GLU A  82
ARG A  80
 None
 1.21A 6b8kA-2fv0A:
undetectable		 6b8kA-2fv0A:
11.76
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.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		4 HIS A 684
ASN A 687
TRP A 699
ARG A 624
 None
 1.25A 6b8kA-2hcsA:
undetectable		 6b8kA-2hcsA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kuc PUTATIVE
DISULPHIDE-ISOMERASE

(Bacteroides
thetaiotaomicron) 		PF00085
(Thioredoxin) 		4 ASN A  62
ARG A   9
GLU A  23
ARG A  19
 None
 1.08A 6b8kA-2kucA:
undetectable		 6b8kA-2kucA:
21.43
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.
2n7a SIALIC ACID-BINDING
IG-LIKE LECTIN 8

(Homo sapiens) 		PF07686
(V-set) 		4 HIS A  47
ASN A  67
GLU A 111
ARG A 109
 None
 1.24A 6b8kA-2n7aA:
undetectable		 6b8kA-2n7aA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 ASN A 176
ARG A 180
GLU A 258
ARG A 252
 None
 1.22A 6b8kA-2q7sA:
undetectable		 6b8kA-2q7sA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r0h CGL3 LECTIN

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		5 HIS A  60
ARG A  64
ASN A  73
GLU A  84
ARG A  86
 CTO  A 165 (-3.6A)
CTO  A 165 (-2.6A)
CTO  A 165 (-4.1A)
CTO  A 165 (-2.7A)
CTO  A 165 ( 4.0A)
 0.37A 6b8kA-2r0hA:
16.3		 6b8kA-2r0hA:
19.88
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.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		7 HIS A 435
ASN A 437
ARG A 439
ASN A 451
TRP A 459
GLU A 462
ARG A 464
 None
 0.55A 6b8kA-2wsuA:
22.5		 6b8kA-2wsuA:
13.96
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.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		5 HIS A 593
ASN A 595
ASN A 609
TRP A 616
GLU A 619
 GOL  A1686 (-4.0A)
None
GOL  A1686 (-3.7A)
GOL  A1686 (-3.7A)
GOL  A1686 (-4.2A)
 0.88A 6b8kA-2wsuA:
22.5		 6b8kA-2wsuA:
13.96
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASN A 348
ARG A 369
GLU A  17
ARG A  16
 None
 0.85A 6b8kA-2wyhA:
undetectable		 6b8kA-2wyhA:
6.36
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.
2yk3 CYTOCHROME C

(Crithidia
fasciculata) 		PF00034
(Cytochrom_C) 		4 ARG A   6
ASN A  81
GLU A  80
ARG A 102
 None
 1.16A 6b8kA-2yk3A:
undetectable		 6b8kA-2yk3A:
20.18
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.
2ymz GALECTIN 2

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		5 HIS A  45
ASN A  47
ASN A  58
TRP A  65
ARG A  70
 None
 0.29A 6b8kA-2ymzA:
20.2		 6b8kA-2ymzA:
27.03
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.
2yn7 OUTER SURFACE
PROTEIN

(Borreliella
burgdorferi) 		PF05714
(Borrelia_lipo_1) 		4 HIS A 295
ASN A 292
ASN A 294
GLU A 291
 None
 1.29A 6b8kA-2yn7A:
undetectable		 6b8kA-2yn7A:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yro GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 HIS A  61
ASN A  63
ASN A  74
TRP A  81
 None
 0.71A 6b8kA-2yroA:
20.0		 6b8kA-2yroA:
30.53
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		5 ASN A  43
ARG A  63
TRP A  80
GLU A  83
ARG A  85
 None
 1.05A 6b8kA-2zgkA:
16.1		 6b8kA-2zgkA:
22.82
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		6 HIS A  59
ARG A  63
ASN A  72
TRP A  80
GLU A  83
ARG A  85
 None
 0.56A 6b8kA-2zgkA:
16.1		 6b8kA-2zgkA:
22.82
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.
2zhl GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1491 (-4.6A)
GAL  A1493 (-3.7A)
 1.10A 6b8kA-2zhlA:
23.7		 6b8kA-2zhlA:
28.77
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.
2zhl GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A1493 ( 3.9A)
GAL  A1493 (-3.6A)
NAG  A1494 ( 2.8A)
GAL  A1493 (-3.9A)
GAL  A1493 (-3.7A)
NAG  A1494 ( 2.7A)
NAG  A1494 (-4.0A)
 0.39A 6b8kA-2zhlA:
23.7		 6b8kA-2zhlA:
28.77
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.
3ajy ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		6 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.76A 6b8kA-3ajyA:
17.7		 6b8kA-3ajyA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ajz ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		6 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.67A 6b8kA-3ajzA:
19.7		 6b8kA-3ajzA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ayd GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
 0.21A 6b8kA-3aydA:
27.3		 6b8kA-3aydA:
93.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dui BETA-GALACTOSIDE-BIN
DING LECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 None
 0.73A 6b8kA-3duiA:
18.3		 6b8kA-3duiA:
40.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8t GALECTIN-4

(Mus musculus) 		PF00337
(Gal-bind_lectin) 		6 HIS A  75
ASN A  77
ARG A  79
ASN A  89
TRP A  96
GLU A  99
 LBT  A 165 (-4.0A)
GOL  A 167 ( 3.2A)
LBT  A 165 (-2.6A)
LBT  A 165 (-3.8A)
LBT  A 165 ( 3.6A)
LBT  A 165 (-3.0A)
 0.20A 6b8kA-3i8tA:
24.4		 6b8kA-3i8tA:
34.71
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 HIS A 513
ASN A 514
GLU A 517
ARG A 485
 None
 1.27A 6b8kA-3ialA:
undetectable		 6b8kA-3ialA:
10.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3m2m GALECTIN-1

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 LAT  A 999 (-3.7A)
LAT  A 999 (-4.1A)
LAT  A 999 (-3.1A)
LAT  A 999 (-3.7A)
LAT  A 999 (-3.7A)
LAT  A 999 (-3.0A)
LAT  A 999 ( 4.7A)
 0.47A 6b8kA-3m2mA:
19.9		 6b8kA-3m2mA:
36.59
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.
3mz2 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Parabacteroides
distasonis) 		PF03009
(GDPD) 		4 ARG A 110
ASN A  72
GLU A  71
ARG A  65
 SO4  A   9 ( 3.9A)
None
SO4  A   9 ( 4.8A)
SO4  A   9 ( 2.9A)
 1.21A 6b8kA-3mz2A:
undetectable		 6b8kA-3mz2A:
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.
3nv3 GALECTIN 9 SHORT
ISOFORM VARIANT

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 501 (-3.9A)
GAL  A 501 (-3.8A)
NAG  A 502 ( 2.7A)
GAL  A 501 (-3.8A)
GAL  A 501 (-3.6A)
NAG  A 502 ( 2.7A)
NAG  A 502 (-4.0A)
 0.24A 6b8kA-3nv3A:
24.6		 6b8kA-3nv3A:
26.24
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.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1

(Anopheles
gambiae) 		PF13855
(LRR_8) 		4 ARG B 621
ASN B 391
GLU B 392
ARG B 416
 None
 1.26A 6b8kA-3ojaB:
undetectable		 6b8kA-3ojaB:
8.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ojb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 HIS A  53
ASN A  55
ASN A  66
GLU A  76
ARG A  78
 None
 0.86A 6b8kA-3ojbA:
22.3		 6b8kA-3ojbA:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ojb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 HIS A  53
ASN A  55
ASN A  66
TRP A  73
ARG A  78
 None
 0.49A 6b8kA-3ojbA:
22.3		 6b8kA-3ojbA:
32.97
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.
3tx3 UNCHARACTERIZED
PROTEIN INVOLVED IN
CYSTEINE
BIOSYNTHESIS

(Idiomarina
loihiensis) 		PF07264
(EI24) 		4 HIS A 186
ASN A 185
GLU A 107
ARG A 111
 None
 1.29A 6b8kA-3tx3A:
undetectable		 6b8kA-3tx3A:
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.
3vv1 PROTEIN LEC-6

(Caenorhabditis
elegans) 		PF00337
(Gal-bind_lectin) 		7 HIS A  60
ASN A  62
ARG A  64
ASN A  73
TRP A  80
GLU A  83
ARG A  85
 GAL  A 201 (-3.8A)
GAL  A 201 (-3.9A)
FUC  A 202 (-2.7A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 3.8A)
FUC  A 202 (-2.7A)
FUC  A 202 ( 4.1A)
 0.32A 6b8kA-3vv1A:
21.6		 6b8kA-3vv1A:
19.33
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.
3wg1 GALACTOSIDE-BINDING
LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 LAT  A 201 (-3.9A)
LAT  A 201 (-3.0A)
LAT  A 201 (-4.1A)
LAT  A 201 (-3.8A)
LAT  A 201 (-2.8A)
LAT  A 201 (-4.4A)
 0.47A 6b8kA-3wg1A:
15.8		 6b8kA-3wg1A:
22.76
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		4 ASN A  66
ASN A  91
GLU A  93
ARG A  68
 None
 1.12A 6b8kA-3wj2A:
undetectable		 6b8kA-3wj2A:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wuc GALECTIN

(Xenopus laevis) 		PF00337
(Gal-bind_lectin) 		4 HIS A  47
ASN A  49
ARG A  32
TRP A  71
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GAL  A 202 (-2.8A)
GAL  A 202 ( 3.7A)
 1.16A 6b8kA-3wucA:
18.6		 6b8kA-3wucA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wuc GALECTIN

(Xenopus laevis) 		PF00337
(Gal-bind_lectin) 		6 HIS A  47
ASN A  49
ARG A  51
ASN A  64
TRP A  71
GLU A  74
 GAL  A 202 ( 3.9A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 ( 3.7A)
GLC  A 201 (-2.8A)
 0.28A 6b8kA-3wucA:
18.6		 6b8kA-3wucA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wud GALECTIN

(Xenopus laevis) 		PF00337
(Gal-bind_lectin) 		7 HIS A  45
ASN A  47
ARG A  49
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 202 (-3.8A)
GAL  A 202 (-4.0A)
GLC  A 201 (-2.7A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 0.64A 6b8kA-3wudA:
19.5		 6b8kA-3wudA:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 HIS A  61
ASN A  63
ARG A  44
TRP A  82
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
GAL  A 402 ( 4.9A)
GAL  A 402 (-3.7A)
 1.11A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.37A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 235
ASN A 237
ARG A 239
ASN A 248
TRP A 255
GLU A 258
ARG A 260
 GAL  A 404 (-4.0A)
GAL  A 404 (-4.1A)
GLC  A 405 (-2.7A)
GAL  A 404 (-3.7A)
GAL  A 404 ( 3.7A)
GLC  A 405 ( 2.8A)
GLC  A 405 (-4.3A)
 0.24A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zxe GALECTIN-7

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 PGZ  A   1 (-3.9A)
PGZ  A   1 (-3.8A)
PGZ  A   1 (-3.6A)
PGZ  A   1 (-3.8A)
PGZ  A   1 (-4.0A)
PGZ  A   1 (-3.5A)
None
 0.62A 6b8kA-3zxeA:
23.1		 6b8kA-3zxeA:
25.93
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.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		5 ARG A  47
ASN A  60
TRP A  68
GLU A  71
ARG A  73
 None
 0.38A 6b8kA-4agvA:
17.9		 6b8kA-4agvA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bmb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 LAT  A1155 (-3.9A)
LAT  A1155 (-3.9A)
LAT  A1155 (-2.7A)
LAT  A1155 (-3.9A)
LAT  A1155 (-3.6A)
LAT  A1155 (-3.0A)
 0.17A 6b8kA-4bmbA:
23.2		 6b8kA-4bmbA:
28.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 HIS A1030
TRP A1026
GLU A1027
ARG A 976
 None
 1.26A 6b8kA-4bocA:
undetectable		 6b8kA-4bocA:
5.70
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ARG A 584
ASN A 515
GLU A 509
ARG A 579
 None
 0.92A 6b8kA-4c3hA:
undetectable		 6b8kA-4c3hA:
3.89
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.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASN A1163
ASN A1110
GLU A1111
ARG A1116
 None
 1.16A 6b8kA-4e9xA:
undetectable		 6b8kA-4e9xA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 HIS A  65
ASN A  67
ARG A  45
ASN A  79
TRP A  86
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
 1.33A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.30A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 229
ASN A 231
ARG A 233
ASN A 242
TRP A 249
GLU A 252
ARG A 254
 None
 0.43A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gf8 PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio cholerae) 		PF00496
(SBP_bac_5) 		4 ASN A  46
ASN A  41
GLU A 517
ARG A 508
 None
 1.03A 6b8kA-4gf8A:
undetectable		 6b8kA-4gf8A:
10.27
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		5 HIS A  57
ASN A  70
TRP A  77
GLU A  80
ARG A  82
 None
 0.82A 6b8kA-4hl0A:
21.5		 6b8kA-4hl0A:
16.37
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		6 HIS A 192
ASN A 194
ARG A 196
ASN A 205
TRP A 212
GLU A 215
 None
 0.25A 6b8kA-4hl0A:
21.5		 6b8kA-4hl0A:
16.37
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 ASN A 462
ASN A 406
GLU A 468
ARG A 467
 None
 0.95A 6b8kA-4jo0A:
undetectable		 6b8kA-4jo0A:
11.72
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 HIS A 684
ASN A 687
TRP A 699
ARG A 624
 None
 1.26A 6b8kA-4k6mA:
undetectable		 6b8kA-4k6mA:
6.62
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.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		4 ASN A   6
ASN A   8
GLU A 195
ARG A   4
 None
 1.28A 6b8kA-4kruA:
undetectable		 6b8kA-4kruA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2
CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		4 ASN A 182
ASN A 187
GLU B 309
ARG B 359
 None
None
None
FPP  B 601 (-3.9A)
 1.24A 6b8kA-4mbgA:
undetectable		 6b8kA-4mbgA:
11.75
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 HIS A 524
ASN A 527
GLU A 621
ARG A 615
 None
 1.13A 6b8kA-4txgA:
undetectable		 6b8kA-4txgA:
7.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvw GALECTIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		6 HIS A  64
ASN A  66
ARG A  68
ASN A  78
TRP A  85
GLU A  88
 SLT  A 201 (-3.9A)
SLT  A 201 (-3.8A)
SLT  A 201 (-2.7A)
SLT  A 201 (-3.9A)
SLT  A 201 (-3.6A)
SLT  A 201 (-2.8A)
 0.15A 6b8kA-4wvwA:
23.9		 6b8kA-4wvwA:
26.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xzp GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  63
ASN A  65
ARG A  67
ASN A  77
TRP A  84
GLU A  87
 None
 0.45A 6b8kA-4xzpA:
22.7		 6b8kA-4xzpA:
29.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y1y GALECTIN-1

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  44
ASN A  46
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.4A)
6S2  A 202 (-2.8A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
6S2  A 202 (-3.8A)
 0.44A 6b8kA-4y1yA:
19.5		 6b8kA-4y1yA:
33.00
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.
4y26 GALECTIN-7

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 GAL  A 201 (-3.9A)
GAL  A 201 (-4.1A)
6S2  A 202 (-2.9A)
GAL  A 201 (-3.7A)
GAL  A 201 (-3.5A)
6S2  A 202 (-2.8A)
6S2  A 202 (-3.5A)
 0.61A 6b8kA-4y26A:
22.5		 6b8kA-4y26A:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ym3 GALECTIN-4

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A 236
ASN A 238
ARG A 240
ASN A 249
TRP A 256
GLU A 259
 LAT  A 401 (-3.9A)
LAT  A 401 (-4.0A)
LAT  A 401 (-2.6A)
LAT  A 401 (-3.7A)
LAT  A 401 ( 3.8A)
LAT  A 401 (-3.1A)
 0.19A 6b8kA-4ym3A:
22.4		 6b8kA-4ym3A:
24.48
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ASN A 195
ASN A 200
GLU A 201
ARG A 193
 None
 1.28A 6b8kA-4zktA:
4.5		 6b8kA-4zktA:
5.00
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.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		4 HIS A 210
ASN A 207
ARG A 206
GLU A 234
 DGT  A 701 (-4.5A)
DGT  A 701 (-3.6A)
DGT  A 701 ( 4.2A)
None
 1.13A 6b8kA-4zweA:
undetectable		 6b8kA-4zweA:
9.56
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 HIS A 416
ASN A 414
GLU A 442
ARG A 411
 None
 1.04A 6b8kA-5cj5A:
undetectable		 6b8kA-5cj5A:
8.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dux GALECTIN-4

(Homo sapiens) 		no annotation 4 ASN B  77
TRP B  84
GLU B  87
ARG B  89
 LAT  B 201 (-3.9A)
LAT  B 201 ( 3.8A)
LAT  B 201 (-2.4A)
LAT  B 201 ( 3.7A)
 1.10A 6b8kA-5duxB:
24.6		 6b8kA-5duxB:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dux GALECTIN-4

(Homo sapiens) 		no annotation 6 HIS B  63
ASN B  65
ARG B  67
ASN B  77
TRP B  84
GLU B  87
 LAT  B 201 (-3.9A)
LAT  B 201 (-3.8A)
LAT  B 201 (-2.6A)
LAT  B 201 (-3.9A)
LAT  B 201 ( 3.8A)
LAT  B 201 (-2.4A)
 0.21A 6b8kA-5duxB:
24.6		 6b8kA-5duxB:
31.97
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.
5gzg GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 LAT  A 201 (-3.9A)
LAT  A 201 (-4.2A)
LAT  A 201 (-2.3A)
LAT  A 201 (-3.6A)
LAT  A 201 (-3.7A)
LAT  A 201 (-3.0A)
 0.17A 6b8kA-5gzgA:
23.1		 6b8kA-5gzgA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9p GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 ARG A 186
ASN A 166
GLU A 165
ARG A 162
 TD2  A 301 (-3.9A)
None
TD2  A 301 ( 4.9A)
TD2  A 301 (-2.8A)
 1.29A 6b8kA-5h9pA:
29.6		 6b8kA-5h9pA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9p GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 TD2  A 301 (-3.8A)
TD2  A 301 (-4.0A)
TD2  A 301 (-2.8A)
TD2  A 301 (-3.8A)
TD2  A 301 ( 3.7A)
TD2  A 301 (-2.9A)
TD2  A 301 (-3.9A)
 0.13A 6b8kA-5h9pA:
29.6		 6b8kA-5h9pA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jp5 GALECTIN-5

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		7 HIS A  57
ASN A  59
ARG A  61
ASN A  70
TRP A  77
GLU A  80
ARG A  82
 PEG  A 201 (-3.7A)
PEG  A 201 ( 4.8A)
PEG  A 201 (-3.0A)
PEG  A 201 (-3.6A)
PEG  A 201 (-2.8A)
PEG  A 201 (-3.3A)
None
 0.28A 6b8kA-5jp5A:
24.4		 6b8kA-5jp5A:
30.00
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASN A 347
ARG A 368
GLU A  17
ARG A  16
 None
 0.79A 6b8kA-5kbpA:
undetectable		 6b8kA-5kbpA:
7.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		4 ARG A 186
ASN A 166
GLU A 165
ARG A 162
 8VT  A 301 (-3.4A)
None
8VT  A 301 (-3.5A)
8VT  A 301 (-2.7A)
 1.28A 6b8kA-5nfbA:
29.9		 6b8kA-5nfbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
 8VT  A 301 (-3.9A)
8VT  A 301 (-4.0A)
8VT  A 301 (-2.7A)
8VT  A 301 (-3.8A)
8VT  A 301 ( 3.7A)
8VT  A 301 (-2.7A)
8VT  A 301 (-3.4A)
 0.09A 6b8kA-5nfbA:
29.9		 6b8kA-5nfbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nlh GALECTIN

(Gallus gallus) 		no annotation 6 HIS A  48
ASN A  50
ARG A  52
ASN A  61
TRP A  68
GLU A  71
 LBT  A 201 (-3.5A)
LBT  A 201 (-3.7A)
LBT  A 201 (-2.6A)
LBT  A 201 (-3.9A)
LBT  A 201 (-3.0A)
LBT  A 201 (-2.1A)
 0.17A 6b8kA-5nlhA:
22.3		 6b8kA-5nlhA:
37.35
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.
5td6 FOG-3 PROTEIN

(Caenorhabditis
elegans) 		PF07742
(BTG) 		4 HIS A  96
ARG A 100
ASN A  93
GLU A  53
 None
 1.12A 6b8kA-5td6A:
undetectable		 6b8kA-5td6A:
17.45
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		4 HIS 3 487
ARG 3 700
GLU 3 491
ARG 3 400
 None
AGS  32001 (-3.9A)
AGS  32001 (-2.0A)
None
 1.22A 6b8kA-5udb3:
undetectable		 6b8kA-5udb3:
6.94
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.
5vyl INNER TEGUMENT
PROTEIN

(Human
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		4 HIS A  95
ARG A 543
GLU A 108
ARG A 158
 None
 1.17A 6b8kA-5vylA:
undetectable		 6b8kA-5vylA:
9.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg8 GALACTOSIDE-BINDING
SOLUBLE LECTIN 13

(Homo sapiens) 		no annotation 4 HIS A  53
ASN A  65
TRP A  72
GLU A  75
 GOL  A 201 (-3.5A)
GOL  A 201 (-3.7A)
GOL  A 201 (-3.0A)
GOL  A 201 (-2.8A)
 0.67A 6b8kA-5xg8A:
22.4		 6b8kA-5xg8A:
32.56
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.
5yqw PEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Vibrio harveyi) 		no annotation 4 ASN A  47
ASN A  42
GLU A 518
ARG A 509
 None
 1.17A 6b8kA-5yqwA:
undetectable		 6b8kA-5yqwA:
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.
6fof GALECTIN-3,GALECTIN-
3

(Homo sapiens) 		no annotation 4 ARG C 186
ASN C 166
GLU C 165
ARG C 162
 LAT  C 301 (-4.0A)
None
LAT  C 301 ( 4.7A)
LAT  C 301 (-2.7A)
 1.16A 6b8kA-6fofC:
27.8		 6b8kA-6fofC:
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.
6fof GALECTIN-3,GALECTIN-
3

(Homo sapiens) 		no annotation 7 HIS C 158
ASN C 160
ARG C 162
ASN C 174
TRP C 181
GLU C 184
ARG C 186
 LAT  C 301 (-3.8A)
LAT  C 301 (-4.1A)
LAT  C 301 (-2.7A)
LAT  C 301 (-3.8A)
LAT  C 301 (-3.8A)
LAT  C 301 ( 2.8A)
LAT  C 301 (-4.0A)
 0.27A 6b8kA-6fofC:
27.8		 6b8kA-6fofC:
undetectable