SIMILAR PATTERNS OF AMINO ACIDS FOR 1GXS_A_BEZA601_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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 GLY A 242
ASP A 452
SER A 212
ALA A 450
 None
None
None
CLL  A 801 (-3.4A)
 0.96A 1gxsA-1cleA:
6.8
1gxsB-1cleA:
1.0		 1gxsA-1cleA:
19.81
1gxsB-1cleA:
15.01
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.
1dle COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 None
 0.99A 1gxsA-1dleA:
undetectable
1gxsB-1dleA:
0.0		 1gxsA-1dleA:
18.83
1gxsB-1dleA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		7 GLY A  62
PRO A  64
ASP A 126
SER A 158
HIS A 160
TRP B 330
ALA B 333
 BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.7A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-2.7A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
BEZ  A 601 ( 3.9A)
 0.01A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8		 1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		4 GLY A  63
ASP A 126
HIS A 160
TRP B 330
 DKA  A 701 (-4.0A)
BEZ  A 601 (-3.8A)
BEZ  A 601 (-3.4A)
BEZ  A 601 ( 4.0A)
 0.86A 1gxsA-1gxsA:
41.5
1gxsB-1gxsA:
0.8		 1gxsA-1gxsA:
100.00
1gxsB-1gxsA:
21.37
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 276
ASP A 213
SER A 279
ALA A 296
 None
 0.83A 1gxsA-1hfuA:
undetectable
1gxsB-1hfuA:
0.0		 1gxsA-1hfuA:
20.36
1gxsB-1hfuA:
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.
1hqo URE2 PROTEIN

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLY A 125
PRO A 123
SER A 118
HIS A 119
 None
 0.93A 1gxsA-1hqoA:
undetectable
1gxsB-1hqoA:
0.6		 1gxsA-1hqoA:
21.64
1gxsB-1hqoA:
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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		4 GLY A  12
ASP A 358
SER A  13
ALA A 359
 None
 0.95A 1gxsA-1jf5A:
undetectable
1gxsB-1jf5A:
0.0		 1gxsA-1jf5A:
17.09
1gxsB-1jf5A:
14.46
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 GLY A 395
ASP A 732
SER A 389
HIS A 735
 None
 0.91A 1gxsA-1lnsA:
6.1
1gxsB-1lnsA:
0.0		 1gxsA-1lnsA:
16.98
1gxsB-1lnsA:
13.33
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 GLY A 415
ASP A 162
SER A 419
ALA A 157
 None
 0.97A 1gxsA-1suvA:
4.4
1gxsB-1suvA:
0.7		 1gxsA-1suvA:
17.91
1gxsB-1suvA:
13.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1whs SERINE
CARBOXYPEPTIDASE II

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		4 GLY A  52
PRO A  54
ASP A 112
HIS A 150
 ACY  A 460 (-4.0A)
None
None
None
 0.41A 1gxsA-1whsA:
31.8
1gxsB-1whsA:
undetectable		 1gxsA-1whsA:
55.89
1gxsB-1whsA:
17.70
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		4 GLY A 181
ASP A 172
SER A  43
ALA A 119
 None
NA  A 403 (-4.6A)
None
None
 0.73A 1gxsA-1x0aA:
undetectable
1gxsB-1x0aA:
undetectable		 1gxsA-1x0aA:
23.25
1gxsB-1x0aA:
22.56
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLY A 243
PRO A 240
ASP A 357
ALA A 356
 None
 0.85A 1gxsA-1xfcA:
undetectable
1gxsB-1xfcA:
undetectable		 1gxsA-1xfcA:
21.58
1gxsB-1xfcA:
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 217
ASP A 239
SER A 340
HIS A 341
ALA A 250
 None
 1.30A 1gxsA-1xhbA:
undetectable
1gxsB-1xhbA:
undetectable		 1gxsA-1xhbA:
19.96
1gxsB-1xhbA:
17.16
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.
1xn4 RIBONUCLEASE MAR1

(Leishmania
major) 		PF00857
(Isochorismatase) 		4 GLY A  63
PRO A  61
ASP A  19
HIS A  59
 None
 0.93A 1gxsA-1xn4A:
2.1
1gxsB-1xn4A:
undetectable		 1gxsA-1xn4A:
19.17
1gxsB-1xn4A:
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		4 GLY A 204
ASP A 221
SER A 195
HIS A  62
 None
ZN  A1446 (-2.2A)
None
ZN  A1446 (-3.3A)
 1.00A 1gxsA-1yloA:
3.3
1gxsB-1yloA:
undetectable		 1gxsA-1yloA:
21.27
1gxsB-1yloA:
19.82
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		4 GLY A 205
ASP A 221
SER A 195
HIS A  62
 None
ZN  A1446 (-2.2A)
None
ZN  A1446 (-3.3A)
 0.71A 1gxsA-1yloA:
3.3
1gxsB-1yloA:
undetectable		 1gxsA-1yloA:
21.27
1gxsB-1yloA:
19.82
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 GLY A 656
ASP A 532
HIS A 483
ALA A 481
 None
 0.99A 1gxsA-1zjkA:
undetectable
1gxsB-1zjkA:
undetectable		 1gxsA-1zjkA:
19.51
1gxsB-1zjkA:
18.16
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 368  A 901 (-3.6A)
None
368  A 901 (-4.0A)
None
 1.00A 1gxsA-1zlrA:
undetectable
1gxsB-1zlrA:
undetectable		 1gxsA-1zlrA:
22.02
1gxsB-1zlrA:
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.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE

(Oryza sativa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLY A 184
ASP A 170
HIS A 148
ALA A 169
 None
 0.88A 1gxsA-2cvoA:
undetectable
1gxsB-2cvoA:
undetectable		 1gxsA-2cvoA:
19.03
1gxsB-2cvoA:
18.26
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		4 GLY A 244
SER A 227
HIS A 229
ALA A  40
 None
 0.95A 1gxsA-2ek8A:
4.3
1gxsB-2ek8A:
undetectable		 1gxsA-2ek8A:
22.33
1gxsB-2ek8A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hne L-FUCONATE
DEHYDRATASE

(Xanthomonas
campestris) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 409
PRO A 131
SER A 411
ALA A 404
 None
 0.91A 1gxsA-2hneA:
undetectable
1gxsB-2hneA:
undetectable		 1gxsA-2hneA:
19.28
1gxsB-2hneA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jd4 LAMININ SUBUNIT
ALPHA-1

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 GLY A2702
SER A2841
HIS A2708
ALA A2864
 None
 0.97A 1gxsA-2jd4A:
undetectable
1gxsB-2jd4A:
undetectable		 1gxsA-2jd4A:
20.00
1gxsB-2jd4A:
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.
2jep XYLOGLUCANASE

(Paenibacillus
pabuli) 		PF00150
(Cellulase) 		4 GLY A 132
SER A  91
TRP A  65
ALA A  64
 None
 0.83A 1gxsA-2jepA:
undetectable
1gxsB-2jepA:
undetectable		 1gxsA-2jepA:
17.41
1gxsB-2jepA:
17.54
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.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		4 GLY A 100
ASP A  51
HIS A  76
ALA A  58
 None
 0.92A 1gxsA-2lbpA:
3.3
1gxsB-2lbpA:
undetectable		 1gxsA-2lbpA:
22.74
1gxsB-2lbpA:
17.77
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		4 GLY A 680
ASP A 541
HIS A 487
ALA A 485
 None
 0.98A 1gxsA-2odpA:
2.4
1gxsB-2odpA:
undetectable		 1gxsA-2odpA:
20.35
1gxsB-2odpA:
14.80
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.
2oua SERINE PROTEASE

(Nocardiopsis
alba) 		PF00089
(Trypsin) 		4 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 AES  A9001 (-4.9A)
None
None
None
 0.99A 1gxsA-2ouaA:
undetectable
1gxsB-2ouaA:
undetectable		 1gxsA-2ouaA:
23.74
1gxsB-2ouaA:
23.00
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		4 PRO A 110
ASP A   3
SER A  14
ALA A   5
 None
 0.95A 1gxsA-2ozoA:
undetectable
1gxsB-2ozoA:
undetectable		 1gxsA-2ozoA:
16.50
1gxsB-2ozoA:
15.75
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 175
ASP A 132
HIS A 136
ALA A 135
 None
 0.99A 1gxsA-2qq6A:
undetectable
1gxsB-2qq6A:
undetectable		 1gxsA-2qq6A:
21.05
1gxsB-2qq6A:
17.07
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.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 GLY A  10
PRO A  12
ASP A  63
ALA A  69
 None
 0.98A 1gxsA-2qvbA:
8.3
1gxsB-2qvbA:
0.9		 1gxsA-2qvbA:
24.17
1gxsB-2qvbA:
19.21
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.
2r0b SERINE/THREONINE/TYR
OSINE-INTERACTING
PROTEIN

(Homo sapiens) 		PF00782
(DSPc) 		5 GLY A 123
PRO A  40
SER A 127
HIS A 119
ALA A  44
 SO4  A   1 (-3.8A)
None
SO4  A   1 (-2.7A)
None
None
 1.36A 1gxsA-2r0bA:
2.5
1gxsB-2r0bA:
undetectable		 1gxsA-2r0bA:
18.68
1gxsB-2r0bA:
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.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 None
 1.00A 1gxsA-2r0lA:
undetectable
1gxsB-2r0lA:
undetectable		 1gxsA-2r0lA:
19.93
1gxsB-2r0lA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		4 GLY A 301
PRO A 300
ASP A  16
ALA A  15
 None
 1.00A 1gxsA-2r9qA:
undetectable
1gxsB-2r9qA:
undetectable		 1gxsA-2r9qA:
21.03
1gxsB-2r9qA:
17.32
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.
3boe CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 GLY A 282
PRO A 280
HIS A 288
ALA A 413
 None
 0.97A 1gxsA-3boeA:
undetectable
1gxsB-3boeA:
undetectable		 1gxsA-3boeA:
20.42
1gxsB-3boeA:
21.05
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 GLY A  72
PRO A  70
HIS A  78
ALA A 203
 None
 0.95A 1gxsA-3bohA:
undetectable
1gxsB-3bohA:
undetectable		 1gxsA-3bohA:
21.56
1gxsB-3bohA:
24.06
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.
3bwu OUTER MEMBRANE USHER
PROTEIN FIMD,
N-TERMINAL DOMAIN

(Escherichia
coli) 		PF13954
(PapC_N) 		4 GLY D  31
PRO D  30
ASP D  18
ALA D  17
 None
 0.92A 1gxsA-3bwuD:
undetectable
1gxsB-3bwuD:
undetectable		 1gxsA-3bwuD:
21.17
1gxsB-3bwuD:
19.62
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.
3c0d PUTATIVE NITRITE
REDUCTASE NADPH
(SMALL SUBUNIT)
OXIDOREDUCTASE
PROTEIN

(Vibrio
parahaemolyticus) 		PF13806
(Rieske_2) 		4 GLY A  50
PRO A  48
ASP A  88
ALA A  90
 None
 1.00A 1gxsA-3c0dA:
undetectable
1gxsB-3c0dA:
undetectable		 1gxsA-3c0dA:
17.34
1gxsB-3c0dA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 PRO A 390
SER A 384
TRP A 379
ALA A  47
 None
 0.97A 1gxsA-3clwA:
undetectable
1gxsB-3clwA:
undetectable		 1gxsA-3clwA:
19.19
1gxsB-3clwA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvj PUTATIVE
PHOSPHOHEPTOSE
ISOMERASE

(Bacillus
halodurans) 		PF13580
(SIS_2) 		4 GLY A  50
ASP A 175
SER A  52
ALA A 189
 None
 0.83A 1gxsA-3cvjA:
2.4
1gxsB-3cvjA:
undetectable		 1gxsA-3cvjA:
19.43
1gxsB-3cvjA:
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.
3el6 ERYTHROMYCIN
DEHYDRATASE

(Saccharopolyspora
erythraea) 		PF14765
(PS-DH) 		4 GLY A 137
ASP A 260
HIS A 264
ALA A 262
 None
 0.94A 1gxsA-3el6A:
undetectable
1gxsB-3el6A:
undetectable		 1gxsA-3el6A:
20.36
1gxsB-3el6A:
22.67
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.
3fl7 EPHRIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF01404
(Ephrin_lbd) 		4 GLY A  75
ASP A 184
SER A  74
ALA A 187
 None
 1.00A 1gxsA-3fl7A:
undetectable
1gxsB-3fl7A:
undetectable		 1gxsA-3fl7A:
18.32
1gxsB-3fl7A:
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.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		4 ASP A 237
SER A 257
TRP A 228
ALA A 229
 DGL  A 502 ( 3.7A)
DGL  A 502 (-2.8A)
ALA  A 501 ( 3.7A)
ALA  A 501 ( 3.8A)
 1.00A 1gxsA-3h41A:
undetectable
1gxsB-3h41A:
undetectable		 1gxsA-3h41A:
20.00
1gxsB-3h41A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		4 GLY A 441
PRO A 440
SER A 360
ALA A 364
 None
 0.96A 1gxsA-3i6sA:
undetectable
1gxsB-3i6sA:
undetectable		 1gxsA-3i6sA:
17.00
1gxsB-3i6sA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwr CHITINASE

(Oryza sativa) 		PF00182
(Glyco_hydro_19) 		4 GLY A 165
PRO A 163
ASP A 107
SER A 168
 None
 0.97A 1gxsA-3iwrA:
undetectable
1gxsB-3iwrA:
undetectable		 1gxsA-3iwrA:
20.95
1gxsB-3iwrA:
18.52
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		4 GLY A 164
PRO A 162
SER A 156
ALA A  48
 None
MOO  A 500 (-3.3A)
None
MOO  A 500 (-3.2A)
 0.97A 1gxsA-3k6xA:
undetectable
1gxsB-3k6xA:
undetectable		 1gxsA-3k6xA:
22.07
1gxsB-3k6xA:
18.39
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.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		4 GLY A  47
ASP A 346
SER A  51
ALA A 345
 None
 0.85A 1gxsA-3k8vA:
undetectable
1gxsB-3k8vA:
undetectable		 1gxsA-3k8vA:
21.15
1gxsB-3k8vA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kw7 LACCASE B

(Trametes sp.
AH28-2) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 273
ASP A 214
SER A 276
ALA A 293
 None
 0.90A 1gxsA-3kw7A:
undetectable
1gxsB-3kw7A:
undetectable		 1gxsA-3kw7A:
19.84
1gxsB-3kw7A:
13.68
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		4 GLY B 434
ASP B 225
SER B 433
ALA B 287
 None
 0.95A 1gxsA-3n2zB:
8.8
1gxsB-3n2zB:
undetectable		 1gxsA-3n2zB:
19.34
1gxsB-3n2zB:
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida) 		4 GLY A 237
PRO A 235
SER A 239
ALA A  88
 None
 0.99A 1gxsA-3nk4A:
undetectable
1gxsB-3nk4A:
undetectable		 1gxsA-3nk4A:
19.62
1gxsB-3nk4A:
19.53
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		4 GLY A 247
ASP A 277
SER A 216
ALA A 274
 None
CA  A   4 ( 4.4A)
None
CA  A   4 ( 4.5A)
 0.99A 1gxsA-3s6jA:
undetectable
1gxsB-3s6jA:
undetectable		 1gxsA-3s6jA:
17.69
1gxsB-3s6jA:
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 276
ASP A 217
SER A 279
ALA A 296
 None
 0.81A 1gxsA-3t6wA:
undetectable
1gxsB-3t6wA:
undetectable		 1gxsA-3t6wA:
17.76
1gxsB-3t6wA:
14.14
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 4 GLY A 492
PRO A 490
HIS A 498
ALA A 623
 None
 0.95A 1gxsA-3uk8A:
undetectable
1gxsB-3uk8A:
undetectable		 1gxsA-3uk8A:
22.46
1gxsB-3uk8A:
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.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		4 GLY A 491
ASP A 454
HIS A 469
ALA A 451
 None
 0.89A 1gxsA-3vn4A:
undetectable
1gxsB-3vn4A:
undetectable		 1gxsA-3vn4A:
20.39
1gxsB-3vn4A:
16.83
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		4 GLY A 414
PRO A 451
ASP A 286
SER A 422
 None
 0.99A 1gxsA-3wmtA:
5.7
1gxsB-3wmtA:
undetectable		 1gxsA-3wmtA:
18.87
1gxsB-3wmtA:
14.00
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 GLY A 155
PRO A 153
ASP A 166
ALA A 168
 None
None
CA  A 502 (-3.0A)
None
 0.79A 1gxsA-3wn6A:
undetectable
1gxsB-3wn6A:
undetectable		 1gxsA-3wn6A:
21.07
1gxsB-3wn6A:
21.52
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 GLY A 324
PRO A 323
ASP A 398
ALA A 367
 None
 0.95A 1gxsA-4aysA:
undetectable
1gxsB-4aysA:
undetectable		 1gxsA-4aysA:
17.00
1gxsB-4aysA:
14.44
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 GLY C 254
ASP C 154
SER C 257
HIS C 252
 None
 0.89A 1gxsA-4b3iC:
undetectable
1gxsB-4b3iC:
undetectable		 1gxsA-4b3iC:
21.97
1gxsB-4b3iC:
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		4 GLY A 253
ASP A 468
SER A 223
ALA A 466
 None
None
None
PGE  A1554 ( 4.6A)
 0.93A 1gxsA-4be9A:
8.3
1gxsB-4be9A:
0.7		 1gxsA-4be9A:
18.94
1gxsB-4be9A:
17.10
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 281
ASP A 233
SER A 172
HIS A 232
 None
 0.98A 1gxsA-4c23A:
undetectable
1gxsB-4c23A:
undetectable		 1gxsA-4c23A:
18.66
1gxsB-4c23A:
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		4 GLY A  68
SER A  70
HIS A  58
ALA A  57
 CD  A1980 ( 4.9A)
None
None
None
 0.99A 1gxsA-4cvuA:
undetectable
1gxsB-4cvuA:
undetectable		 1gxsA-4cvuA:
13.12
1gxsB-4cvuA:
10.39
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.
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 208
ASP A  92
HIS A  41
ALA A  39
 None
 0.99A 1gxsA-4dgjA:
undetectable
1gxsB-4dgjA:
undetectable		 1gxsA-4dgjA:
21.79
1gxsB-4dgjA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 GLY A  58
ASP A 168
SER A  56
ALA A  95
 None
 0.90A 1gxsA-4f9uA:
3.1
1gxsB-4f9uA:
undetectable		 1gxsA-4f9uA:
23.19
1gxsB-4f9uA:
22.01
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.
4gpg PROTEASE 1

(Achromobacter
lyticus) 		PF00089
(Trypsin) 		4 GLY A 212
ASP A 113
HIS A  57
ALA A  55
 None
 0.97A 1gxsA-4gpgA:
undetectable
1gxsB-4gpgA:
undetectable		 1gxsA-4gpgA:
21.71
1gxsB-4gpgA:
22.68
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		4 GLY A 294
PRO A 292
ASP A 315
SER A 348
 None
 0.88A 1gxsA-4gwnA:
undetectable
1gxsB-4gwnA:
undetectable		 1gxsA-4gwnA:
21.14
1gxsB-4gwnA:
16.64
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 407
PRO A 129
SER A 409
ALA A 402
 None
 0.93A 1gxsA-4ip4A:
undetectable
1gxsB-4ip4A:
undetectable		 1gxsA-4ip4A:
20.98
1gxsB-4ip4A:
16.79
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 GLY A 207
PRO A  70
ASP A  85
SER A 206
HIS A  69
 None
 1.45A 1gxsA-4j9tA:
undetectable
1gxsB-4j9tA:
undetectable		 1gxsA-4j9tA:
20.94
1gxsB-4j9tA:
18.90
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.
4nsy LYSYL ENDOPEPTIDASE

(Lysobacter
enzymogenes) 		PF13365
(Trypsin_2) 		4 GLY A 212
ASP A 113
HIS A  57
ALA A  55
 2OY  A 301 (-4.0A)
None
2OY  A 301 (-2.7A)
None
 0.97A 1gxsA-4nsyA:
undetectable
1gxsB-4nsyA:
undetectable		 1gxsA-4nsyA:
23.55
1gxsB-4nsyA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozx ALGINATE LYASE

(Klebsiella
pneumoniae) 		PF08787
(Alginate_lyase2) 		4 GLY A  72
ASP A 144
SER A  69
ALA A 294
 None
 1.00A 1gxsA-4ozxA:
undetectable
1gxsB-4ozxA:
undetectable		 1gxsA-4ozxA:
22.68
1gxsB-4ozxA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 GLY A 203
ASP A 220
SER A 194
HIS A  60
 None
 0.99A 1gxsA-4p6yA:
3.3
1gxsB-4p6yA:
undetectable		 1gxsA-4p6yA:
20.99
1gxsB-4p6yA:
19.50
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.
4pke PROTEIN C10C5.1,
ISOFORM I

(Caenorhabditis
elegans) 		PF12166
(Piezo_RRas_bdg) 		4 GLY A 250
ASP A 225
HIS A 248
ALA A 181
 None
 1.00A 1gxsA-4pkeA:
undetectable
1gxsB-4pkeA:
undetectable		 1gxsA-4pkeA:
21.97
1gxsB-4pkeA:
18.69
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 GLY A 100
ASP A  51
SER A  98
HIS A  76
ALA A  58
 None
 1.40A 1gxsA-4qwvA:
undetectable
1gxsB-4qwvA:
undetectable		 1gxsA-4qwvA:
20.98
1gxsB-4qwvA:
17.79
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.
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 3KM  A 900 (-3.4A)
None
3KM  A 900 ( 4.4A)
None
 0.98A 1gxsA-4r0iA:
undetectable
1gxsB-4r0iA:
undetectable		 1gxsA-4r0iA:
21.15
1gxsB-4r0iA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ASP B 112
HIS B 165
TRP B 572
ALA B 108
 None
 0.97A 1gxsA-4r3zB:
undetectable
1gxsB-4r3zB:
undetectable		 1gxsA-4r3zB:
16.82
1gxsB-4r3zB:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		4 GLY A 141
PRO A 140
SER A 142
ALA A 137
 None
 0.99A 1gxsA-4ruwA:
undetectable
1gxsB-4ruwA:
undetectable		 1gxsA-4ruwA:
19.78
1gxsB-4ruwA:
15.00
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus) 		PF00476
(DNA_pol_A) 		4 GLY A 761
PRO A 774
ASP A 402
ALA A 404
 None
 0.98A 1gxsA-4uqgA:
undetectable
1gxsB-4uqgA:
undetectable		 1gxsA-4uqgA:
15.83
1gxsB-4uqgA:
14.47
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		4 GLY A 235
ASP A 340
HIS A 389
ALA A 342
 None
 0.96A 1gxsA-4uz1A:
6.0
1gxsB-4uz1A:
undetectable		 1gxsA-4uz1A:
20.97
1gxsB-4uz1A:
18.01
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		5 GLY A 235
ASP A 340
SER A 231
HIS A 389
ALA A 342
 None
 1.39A 1gxsA-4wbhA:
6.2
1gxsB-4wbhA:
undetectable		 1gxsA-4wbhA:
19.21
1gxsB-4wbhA:
16.23
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		5 GLY A 102
PRO A 101
ASP A 275
SER A 103
HIS A  99
 EDO  A1316 (-3.4A)
None
TLA  A1322 (-4.3A)
None
ZN  A1321 ( 3.4A)
 1.44A 1gxsA-5ahoA:
undetectable
1gxsB-5ahoA:
1.9		 1gxsA-5ahoA:
20.22
1gxsB-5ahoA:
18.69
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 GLY A 122
PRO A 121
SER A 123
ALA A  48
 None
None
NA  A 305 (-4.6A)
None
 0.97A 1gxsA-5b1uA:
undetectable
1gxsB-5b1uA:
undetectable		 1gxsA-5b1uA:
19.93
1gxsB-5b1uA:
20.60
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		5 GLY A2504
PRO A2511
ASP A2567
HIS A2489
ALA A2636
 None
NAG  A4006 (-4.4A)
None
None
None
 1.45A 1gxsA-5b4xA:
undetectable
1gxsB-5b4xA:
undetectable		 1gxsA-5b4xA:
16.58
1gxsB-5b4xA:
14.18
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.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		4 GLY A  84
PRO A 115
SER A  83
ALA A 139
 None
 0.94A 1gxsA-5b6aA:
3.1
1gxsB-5b6aA:
0.9		 1gxsA-5b6aA:
19.46
1gxsB-5b6aA:
21.26
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.
5c7q NUDF PROTEIN

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 PRO A 112
SER A 117
HIS A  42
ALA A  45
 None
None
GOL  A 205 (-4.3A)
GOL  A 207 (-3.5A)
 1.00A 1gxsA-5c7qA:
undetectable
1gxsB-5c7qA:
undetectable		 1gxsA-5c7qA:
24.19
1gxsB-5c7qA:
20.51
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 GLY A 444
PRO A 446
ASP A 419
ALA A 416
 None
 0.86A 1gxsA-5cxwA:
undetectable
1gxsB-5cxwA:
undetectable		 1gxsA-5cxwA:
22.32
1gxsB-5cxwA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dem ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 GLY A 162
PRO A 178
SER A 165
ALA A 190
 None
 0.87A 1gxsA-5demA:
undetectable
1gxsB-5demA:
undetectable		 1gxsA-5demA:
20.27
1gxsB-5demA:
21.83
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 GLY A 403
PRO A 400
SER A 402
TRP A 266
 None
 0.98A 1gxsA-5du9A:
undetectable
1gxsB-5du9A:
undetectable		 1gxsA-5du9A:
21.89
1gxsB-5du9A:
15.22
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 275
ASP A 215
SER A 278
ALA A 295
 None
 0.77A 1gxsA-5ehfA:
undetectable
1gxsB-5ehfA:
undetectable		 1gxsA-5ehfA:
18.64
1gxsB-5ehfA:
15.43
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		4 GLY A 378
ASP A 329
SER A 379
ALA A 330
 None
GDP  A1428 (-3.8A)
None
None
 0.99A 1gxsA-5foeA:
undetectable
1gxsB-5foeA:
undetectable		 1gxsA-5foeA:
18.67
1gxsB-5foeA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gai PEPTIDOGLYCAN
HYDROLASE GP4

(Salmonella
virus P22) 		PF11650
(P22_Tail-4) 		4 GLY K  79
PRO K  76
ASP K  47
SER K  70
 None
 0.95A 1gxsA-5gaiK:
undetectable
1gxsB-5gaiK:
undetectable		 1gxsA-5gaiK:
18.89
1gxsB-5gaiK:
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.
5gll GLYCOSIDE HYDROLASE
FAMILY 43

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		5 GLY A 286
ASP A  57
SER A 284
HIS A 319
ALA A 126
 None
GOL  A 403 (-2.9A)
None
CA  A 401 (-3.8A)
GOL  A 403 (-3.2A)
 1.34A 1gxsA-5gllA:
undetectable
1gxsB-5gllA:
undetectable		 1gxsA-5gllA:
20.74
1gxsB-5gllA:
19.76
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 GLY B 250
ASP B 259
HIS B 254
ALA B 258
 None
 0.99A 1gxsA-5hdfB:
8.8
1gxsB-5hdfB:
1.1		 1gxsA-5hdfB:
20.80
1gxsB-5hdfB:
18.47
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.
5jdo HAPTOGLOBIN-HAEMOGLO
BIN RECEPTOR

(Trypanosoma
congolense) 		PF16731
(GARP) 		4 GLY B  33
ASP B 134
SER B  32
ALA B  26
 None
 0.98A 1gxsA-5jdoB:
3.2
1gxsB-5jdoB:
undetectable		 1gxsA-5jdoB:
22.41
1gxsB-5jdoB:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 276
ASP A 217
SER A 279
ALA A 296
 None
 0.88A 1gxsA-5mewA:
undetectable
1gxsB-5mewA:
undetectable		 1gxsA-5mewA:
18.92
1gxsB-5mewA:
15.25
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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 4 GLY A 104
SER A 107
TRP A  41
ALA A  56
 None
 0.82A 1gxsA-5ng7A:
8.4
1gxsB-5ng7A:
undetectable		 1gxsA-5ng7A:
undetectable
1gxsB-5ng7A:
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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 4 PRO A 127
ASP A 241
HIS A 270
ALA A 243
 None
 0.89A 1gxsA-5ng7A:
8.4
1gxsB-5ng7A:
undetectable		 1gxsA-5ng7A:
undetectable
1gxsB-5ng7A:
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.
5upr TRIOSEPHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00121
(TIM) 		4 GLY A 249
PRO A 290
HIS A 309
ALA A 305
 None
 0.96A 1gxsA-5uprA:
undetectable
1gxsB-5uprA:
undetectable		 1gxsA-5uprA:
18.71
1gxsB-5uprA:
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 6
X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5

(Homo sapiens;
Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		4 GLY B 313
PRO B 322
ASP B 319
ALA A 113
 None
 0.90A 1gxsA-5y3rB:
undetectable
1gxsB-5y3rB:
undetectable		 1gxsA-5y3rB:
18.15
1gxsB-5y3rB:
16.44
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 4 GLY B 216
ASP B 102
HIS B  57
ALA B  55
 BEN  B 301 (-3.3A)
None
SO4  B 304 (-3.8A)
None
 0.96A 1gxsA-6b74B:
undetectable
1gxsB-6b74B:
undetectable		 1gxsA-6b74B:
undetectable
1gxsB-6b74B:
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.
6c08 ANTIBODY FAB LIGHT
CHAIN

(Mus musculus) 		no annotation 4 GLY B  63
PRO B  62
ASP B  85
ALA B  84
 None
 0.87A 1gxsA-6c08B:
undetectable
1gxsB-6c08B:
undetectable		 1gxsA-6c08B:
undetectable
1gxsB-6c08B:
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.
6f1v CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		no annotation 4 GLY f 646
PRO f 643
SER f 636
HIS f 637
 None
 0.62A 1gxsA-6f1vf:
undetectable
1gxsB-6f1vf:
undetectable		 1gxsA-6f1vf:
undetectable
1gxsB-6f1vf:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE
CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii;
Acetobacterium
woodii) 		no annotation
no annotation 		4 GLY A 218
ASP B  94
SER A 219
ALA B  97
 None
FAD  B 301 (-4.0A)
None
None
 0.95A 1gxsA-6fahA:
2.6
1gxsB-6fahA:
1.6		 1gxsA-6fahA:
undetectable
1gxsB-6fahA:
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.
6fhs ARP5

(Chaetomium
thermophilum) 		no annotation 4 GLY J 690
SER J 207
HIS J 214
ALA J 161
 None
 0.87A 1gxsA-6fhsJ:
undetectable
1gxsB-6fhsJ:
undetectable		 1gxsA-6fhsJ:
undetectable
1gxsB-6fhsJ:
undetectable