SIMILAR PATTERNS OF AMINO ACIDS FOR 6B94_A_W9TA201

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
 0.46A 6b94A-1c1fA:
21.6		 6b94A-1c1fA:
26.83
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		4 ASN A 767
ARG A 865
HIS A 909
GLU A 688
 None
 0.96A 6b94A-1efyA:
undetectable		 6b94A-1efyA:
9.40
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 391
HIS A 418
TRP A 568
ARG A 204
 None
MG  A3001 (-3.6A)
None
None
 1.15A 6b94A-1f4hA:
undetectable		 6b94A-1f4hA:
5.57
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
HIS A  53
ASN A  62
TRP A  69
GLU A  72
 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)
GAL  A 136 (-3.7A)
NDG  A 135 ( 2.6A)
 0.40A 6b94A-1ganA:
24.6		 6b94A-1ganA:
60.49
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
HIS A  53
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)
 0.66A 6b94A-1ganA:
24.6		 6b94A-1ganA:
60.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.55A 6b94A-1hlcA:
23.4		 6b94A-1hlcA:
30.71
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.
1hle HORSE LEUKOCYTE
ELASTASE INHIBITOR
HORSE LEUKOCYTE
ELASTASE INHIBITOR

(Equus caballus;
Equus caballus) 		PF00079
(Serpin)
PF00079
(Serpin) 		4 HIS A 287
ASN B 365
ASN A 285
ARG A 238
 None
 1.16A 6b94A-1hleA:
undetectable		 6b94A-1hleA:
13.03
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ASN B 100
ARG B  68
ASN B  63
GLU B  44
 None
 1.10A 6b94A-1lpbB:
undetectable		 6b94A-1lpbB:
12.33
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.
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 6b94A-1q5aA:
undetectable		 6b94A-1q5aA:
7.12
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) 		8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 None
 0.50A 6b94A-1qmjA:
25.6		 6b94A-1qmjA:
58.75
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) 		8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
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 (-3.5A)
GAL  A 352 ( 3.8A)
GAL  A 352 (-4.3A)
NAG  A 351 ( 2.8A)
NAG  A 351 ( 3.0A)
 0.70A 6b94A-1slcA:
27.4		 6b94A-1slcA:
90.00
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 HIS A 643
ASN A 700
ARG A 702
GLU A 632
 None
 1.01A 6b94A-1tmoA:
undetectable		 6b94A-1tmoA:
7.02
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.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		4 ARG A 130
ASN A  50
GLU A  49
ARG A  68
 None
 1.07A 6b94A-1tuhA:
undetectable		 6b94A-1tuhA:
21.90
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.
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)
 0.48A 6b94A-1uleA:
16.1		 6b94A-1uleA:
27.62
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.
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 6b94A-1v29B:
undetectable		 6b94A-1v29B:
14.04
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.
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
 0.51A 6b94A-1wlcA:
24.0		 6b94A-1wlcA:
29.89
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.
1ww6 GALECTIN

(Agrocybe
cylindracea) 		PF00337
(Gal-bind_lectin) 		5 HIS A  62
ARG A  66
ASN A  75
TRP A  83
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 ( 4.3A)
 0.84A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 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)
 0.73A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
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) 		4 HIS X  60
ASN X  62
ARG X  43
TRP X  81
 None
 1.00A 6b94A-2d6lX:
19.2		 6b94A-2d6lX:
33.67
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
 0.52A 6b94A-2d6lX:
19.2		 6b94A-2d6lX:
33.67
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.
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
 0.61A 6b94A-2dycA:
18.9		 6b94A-2dycA:
26.12
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.
2kuc PUTATIVE
DISULPHIDE-ISOMERASE

(Bacteroides
thetaiotaomicron) 		PF00085
(Thioredoxin) 		4 ASN A  62
ARG A   9
GLU A  23
ARG A  19
 None
 1.09A 6b94A-2kucA:
undetectable		 6b94A-2kucA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ASN A 194
HIS A  66
ASN A 203
GLU A 288
 None
SO4  A1776 (-4.2A)
None
SO4  A1776 ( 4.7A)
 1.04A 6b94A-2nsmA:
undetectable		 6b94A-2nsmA:
12.06
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.
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)
 0.55A 6b94A-2r0hA:
14.4		 6b94A-2r0hA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.68A 6b94A-2wsuA:
18.5		 6b94A-2wsuA:
13.76
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.
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)
 0.79A 6b94A-2wsuA:
18.5		 6b94A-2wsuA:
13.76
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.
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
 0.76A 6b94A-2wyhA:
undetectable		 6b94A-2wyhA:
6.21
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.
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
 0.46A 6b94A-2ymzA:
24.1		 6b94A-2ymzA:
28.35
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 ASN A  63
ASN A  74
TRP A  81
GLU A  84
 None
 0.84A 6b94A-2yroA:
16.8		 6b94A-2yroA:
35.71
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) 		5 HIS A  61
ASN A  63
ASN A  74
TRP A  81
ARG A  86
 None
 0.76A 6b94A-2yroA:
16.8		 6b94A-2yroA:
35.71
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.
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
 0.74A 6b94A-2zgkA:
15.0		 6b94A-2zgkA:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 1.07A 6b94A-2zhlA:
19.9		 6b94A-2zhlA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.41A 6b94A-2zhlA:
19.9		 6b94A-2zhlA:
32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ajy ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		5 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 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)
 0.48A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ajy ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		5 HIS A  44
ARG A  48
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.84A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
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) 		5 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 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)
 0.39A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
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) 		5 HIS A  42
ARG A  46
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.75A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
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)
 0.43A 6b94A-3aydA:
19.4		 6b94A-3aydA:
34.78
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 413
HIS A 440
TRP A 579
ARG A 230
 None
MG  A   1 (-3.3A)
None
None
 1.10A 6b94A-3bgaA:
undetectable		 6b94A-3bgaA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 HIS A 213
ASN A 217
GLU A 214
ARG A 252
 None
 1.17A 6b94A-3d36A:
undetectable		 6b94A-3d36A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 389
HIS A 416
TRP A 555
ARG A 206
 None
 1.10A 6b94A-3decA:
undetectable		 6b94A-3decA:
6.41
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) 		8 HIS A  45
ASN A  47
ARG A  49
HIS A  53
ASN A  62
TRP A  69
GLU A  72
ARG A  74
 None
 0.77A 6b94A-3duiA:
24.3		 6b94A-3duiA:
68.29
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.
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)
 0.39A 6b94A-3i8tA:
19.4		 6b94A-3i8tA:
24.49
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) 		8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
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 (-3.9A)
LAT  A 999 (-3.7A)
LAT  A 999 (-3.7A)
LAT  A 999 (-3.0A)
LAT  A 999 ( 4.7A)
 0.33A 6b94A-3m2mA:
26.7		 6b94A-3m2mA:
92.50
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.
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)
 0.41A 6b94A-3nv3A:
19.4		 6b94A-3nv3A:
23.31
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
 0.48A 6b94A-3ojbA:
19.7		 6b94A-3ojbA:
36.67
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 HIS A  88
ARG A 141
GLU A  87
ARG A  80
 None
 0.98A 6b94A-3rxyA:
undetectable		 6b94A-3rxyA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 322
HIS A 282
GLU A 336
ARG A 280
 None
None
None
MG  A 402 (-4.7A)
 1.11A 6b94A-3s47A:
undetectable		 6b94A-3s47A:
14.24
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.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 HIS A 209
ASN A 231
HIS A 355
GLU A 352
 NAG  A 700 (-4.2A)
NAG  A 700 (-1.9A)
None
None
 1.15A 6b94A-3sajA:
undetectable		 6b94A-3sajA:
12.60
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 338
HIS A 298
GLU A 352
ARG A 296
 None
None
GCO  A 601 (-2.8A)
GCO  A 601 (-4.1A)
 1.14A 6b94A-3t6cA:
undetectable		 6b94A-3t6cA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 ARG A 386
ASN A 426
GLU A 446
ARG A 445
 None
None
PO4  A 481 ( 4.5A)
PO4  A 481 (-4.1A)
 1.12A 6b94A-3tc9A:
undetectable		 6b94A-3tc9A:
11.86
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 HIS A 229
ASN A 129
TRP A 101
GLU A 130
 SO4  A 513 (-3.9A)
None
None
None
 1.12A 6b94A-3ty1A:
undetectable		 6b94A-3ty1A:
12.07
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ASN A2547
ARG A2543
HIS A2661
GLU A2550
 None
 1.11A 6b94A-3vkgA:
undetectable		 6b94A-3vkgA:
2.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.49A 6b94A-3vv1A:
18.2		 6b94A-3vv1A:
31.00
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.
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)
 0.55A 6b94A-3wg1A:
14.7		 6b94A-3wg1A:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 1.13A 6b94A-3wucA:
23.9		 6b94A-3wucA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.35A 6b94A-3wucA:
23.9		 6b94A-3wucA:
42.35
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) 		8 HIS A  45
ASN A  47
ARG A  49
HIS A  52
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)
SO4  A 203 (-3.9A)
GAL  A 202 (-3.9A)
GAL  A 202 (-3.9A)
GLC  A 201 (-2.7A)
GLC  A 201 (-4.0A)
 1.00A 6b94A-3wudA:
25.3		 6b94A-3wudA:
60.00
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.
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)
 1.04A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
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.
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)
 0.38A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
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.
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)
 0.54A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zxe GALECTIN-7

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  49
ASN A  51
ARG A  53
ASN A  62
TRP A  69
GLU A  72
 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)
 0.25A 6b94A-3zxeA:
20.2		 6b94A-3zxeA:
38.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zxe GALECTIN-7

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		6 HIS A  49
ASN A  51
ARG A  53
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 (-4.0A)
PGZ  A   1 (-3.5A)
None
 0.62A 6b94A-3zxeA:
20.2		 6b94A-3zxeA:
38.37
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.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		5 ARG A  47
ASN A  60
TRP A  68
GLU A  71
ARG A  73
 None
 0.60A 6b94A-4agvA:
16.9		 6b94A-4agvA:
23.44
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.
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)
 0.42A 6b94A-4bmbA:
18.9		 6b94A-4bmbA:
29.57
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.
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)
 1.27A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.46A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.39A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 6b94A-4gf8A:
undetectable		 6b94A-4gf8A:
9.45
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		4 HIS A 549
ARG A 193
HIS A 190
GLU A 224
 None
 1.06A 6b94A-4gqbA:
undetectable		 6b94A-4gqbA:
7.66
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		4 HIS A  57
ASN A  70
TRP A  77
GLU A  80
 None
 0.39A 6b94A-4hl0A:
20.5		 6b94A-4hl0A:
18.03
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		4 HIS A  57
TRP A  77
GLU A  80
ARG A  82
 None
 0.83A 6b94A-4hl0A:
20.5		 6b94A-4hl0A:
18.03
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.
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
 0.35A 6b94A-4hl0A:
20.5		 6b94A-4hl0A:
18.03
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 320
HIS A 280
GLU A 334
ARG A 278
 None
 1.17A 6b94A-4hnlA:
undetectable		 6b94A-4hnlA:
10.00
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 338
HIS A 298
GLU A 352
ARG A 296
 None
None
FMT  A 503 (-3.2A)
FMT  A 503 (-4.1A)
 1.15A 6b94A-4ihcA:
undetectable		 6b94A-4ihcA:
11.90
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 HIS A 532
ASN A 483
HIS A 425
GLU A 485
 None
 1.16A 6b94A-4il1A:
undetectable		 6b94A-4il1A:
7.67
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 ASN A 462
ASN A 406
GLU A 468
ARG A 467
 None
 0.94A 6b94A-4jo0A:
undetectable		 6b94A-4jo0A:
9.86
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.
4mte ZINC UPTAKE
REGULATION PROTEIN

(Escherichia
coli) 		PF01475
(FUR) 		4 HIS A 134
HIS A  96
ASN A 135
GLU A 118
 None
ZN  A 202 (-3.2A)
None
None
 1.08A 6b94A-4mteA:
undetectable		 6b94A-4mteA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		4 ASN C 767
ARG C 865
HIS C 909
GLU C 688
 None
 0.85A 6b94A-4oqaC:
undetectable		 6b94A-4oqaC:
10.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.38A 6b94A-4wvwA:
19.3		 6b94A-4wvwA:
32.61
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.
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
 0.53A 6b94A-4xzpA:
17.5		 6b94A-4xzpA:
24.52
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) 		8 HIS A  44
ASN A  46
ARG A  48
HIS A  52
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 (-4.2A)
GAL  A 201 (-3.8A)
GAL  A 201 ( 4.1A)
6S2  A 202 (-2.6A)
6S2  A 202 (-3.8A)
 0.36A 6b94A-4y1yA:
28.7		 6b94A-4y1yA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.68A 6b94A-4y26A:
20.0		 6b94A-4y26A:
35.51
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.33A 6b94A-4ym3A:
18.7		 6b94A-4ym3A:
24.46
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.
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 6b94A-4zweA:
undetectable		 6b94A-4zweA:
8.43
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens;
Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		4 HIS A 645
ARG A  15
HIS O 526
GLU A 611
 None
 1.14A 6b94A-5a31A:
undetectable		 6b94A-5a31A:
4.79
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.
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)
 0.31A 6b94A-5duxB:
19.5		 6b94A-5duxB:
27.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dux GALECTIN-4

(Homo sapiens) 		no annotation 5 HIS B  63
ASN B  77
TRP B  84
GLU B  87
ARG B  89
 LAT  B 201 (-3.9A)
LAT  B 201 (-3.9A)
LAT  B 201 ( 3.8A)
LAT  B 201 (-2.4A)
LAT  B 201 ( 3.7A)
 1.11A 6b94A-5duxB:
19.5		 6b94A-5duxB:
27.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.41A 6b94A-5gzgA:
18.7		 6b94A-5gzgA:
23.17
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)
 0.45A 6b94A-5h9pA:
19.8		 6b94A-5h9pA:
32.43
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.
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
 0.52A 6b94A-5jp5A:
19.3		 6b94A-5jp5A:
25.56
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.
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
 0.75A 6b94A-5kbpA:
undetectable		 6b94A-5kbpA:
7.67
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)
 0.48A 6b94A-5nfbA:
19.8		 6b94A-5nfbA:
37.63
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)
 0.31A 6b94A-5nlhA:
19.3		 6b94A-5nlhA:
32.93
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.
5td6 FOG-3 PROTEIN

(Caenorhabditis
elegans) 		PF07742
(BTG) 		4 HIS A  96
ARG A 100
ASN A  93
GLU A  53
 None
 1.11A 6b94A-5td6A:
undetectable		 6b94A-5td6A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 6b94A-5vylA:
undetectable		 6b94A-5vylA:
10.62
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.
5xg8 GALACTOSIDE-BINDING
SOLUBLE LECTIN 13

(Homo sapiens) 		no annotation 4 HIS A  53
HIS A  57
ASN A  65
GLU A  75
 GOL  A 201 (-3.5A)
None
GOL  A 201 (-3.7A)
GOL  A 201 (-2.8A)
 1.07A 6b94A-5xg8A:
17.9		 6b94A-5xg8A:
23.86
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.
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 6b94A-6fofC:
19.2		 6b94A-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)
 0.59A 6b94A-6fofC:
19.2		 6b94A-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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 176
HIS A 229
ASN A 178
ARG A 140
 None
ZN  A 501 (-2.9A)
None
None
 1.16A 6b94A-7mdhA:
undetectable		 6b94A-7mdhA:
13.64