SIMILAR PATTERNS OF AMINO ACIDS FOR 2O5Y_H_STRH249_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c1e CATALYTIC ANTIBODY
1E9 (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  35
GLY H  95
THR H  97
MET H 100
 ENH  H 703 (-3.0A)
ENH  H 703 (-3.3A)
ENH  H 703 (-4.6A)
ENH  H 703 (-3.9A)
 0.46A 2o5yH-1c1eH:
23.8
2o5yL-1c1eH:
16.2		 2o5yH-1c1eH:
81.36
2o5yL-1c1eH:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASN A 497
GLY A 462
THR A 458
SER A 137
 None
 1.07A 2o5yH-1coyA:
undetectable
2o5yL-1coyA:
undetectable		 2o5yH-1coyA:
18.42
2o5yL-1coyA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dbj IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  35
TRP H  50
GLY H  95
TRP H 100
 AE2  H 229 (-2.9A)
AE2  H 229 (-4.2A)
AE2  H 229 (-3.2A)
AE2  H 229 (-3.9A)
 1.23A 2o5yH-1dbjH:
22.8
2o5yL-1dbjH:
15.8		 2o5yH-1dbjH:
73.64
2o5yL-1dbjH:
27.66
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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ASN A  38
GLY A 277
THR A 274
MET A  40
 None
 1.01A 2o5yH-1jsdA:
undetectable
2o5yL-1jsdA:
undetectable		 2o5yH-1jsdA:
20.25
2o5yL-1jsdA:
23.34
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.
1nhy ELONGATION FACTOR
1-GAMMA 1

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASN A  67
THR A  14
TRP A  15
SER A 167
 None
 0.99A 2o5yH-1nhyA:
undetectable
2o5yL-1nhyA:
undetectable		 2o5yH-1nhyA:
22.04
2o5yL-1nhyA:
21.63
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 ASN A 458
GLY A 412
THR A 386
MET A 409
 None
 1.25A 2o5yH-1o94A:
undetectable
2o5yL-1o94A:
undetectable		 2o5yH-1o94A:
15.38
2o5yL-1o94A:
13.61
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.
1r88 MPT51/MPB51 ANTIGEN

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 ASN A 233
GLY A 276
TRP A 283
SER A 169
 None
 1.18A 2o5yH-1r88A:
undetectable
2o5yL-1r88A:
undetectable		 2o5yH-1r88A:
21.34
2o5yL-1r88A:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT

(Pseudomonas
putida) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		4 ASN A 140
GLY A 139
MET A 137
SER A 120
 None
 1.11A 2o5yH-1t3qA:
undetectable
2o5yL-1t3qA:
undetectable		 2o5yH-1t3qA:
21.43
2o5yL-1t3qA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ASN A  50
GLY A  49
THR A 128
SER A 139
 None
 1.20A 2o5yH-1w5eA:
undetectable
2o5yL-1w5eA:
undetectable		 2o5yH-1w5eA:
21.37
2o5yL-1w5eA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvv CHITINASE C

(Streptomyces
griseus) 		PF00182
(Glyco_hydro_19) 		4 ASN A 246
GLY A 289
THR A 287
SER A 129
 None
 1.24A 2o5yH-1wvvA:
undetectable
2o5yL-1wvvA:
undetectable		 2o5yH-1wvvA:
22.50
2o5yL-1wvvA:
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.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		4 ASN A 110
GLY A 163
THR A 113
SER A  56
 None
 1.25A 2o5yH-1wzzA:
undetectable
2o5yL-1wzzA:
undetectable		 2o5yH-1wzzA:
19.64
2o5yL-1wzzA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0g ISCA

(Thermosynechococcus
elongatus) 		PF01521
(Fe-S_biosyn) 		4 GLY A 104
THR A 100
MET A 105
SER A  35
 None
 1.25A 2o5yH-1x0gA:
undetectable
2o5yL-1x0gA:
undetectable		 2o5yH-1x0gA:
16.14
2o5yL-1x0gA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x46 HEMOGLOBIN COMPONENT
VII

(Tokunagayusurika
akamusi) 		PF00042
(Globin) 		4 ASN A 128
GLY A 130
TRP A 135
SER A  18
 None
 1.11A 2o5yH-1x46A:
undetectable
2o5yL-1x46A:
undetectable		 2o5yH-1x46A:
21.97
2o5yL-1x46A:
21.00
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASN A 475
GLY A 479
THR A 481
SER A 450
 MG  A 601 ( 2.8A)
TPP  A 602 (-2.9A)
TPP  A 602 ( 4.0A)
TPP  A 602 (-2.9A)
 1.23A 2o5yH-2ag1A:
undetectable
2o5yL-2ag1A:
undetectable		 2o5yH-2ag1A:
17.66
2o5yL-2ag1A:
15.57
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		4 ASN A  92
GLY A  94
THR A  95
SER A 197
 NAP  A1901 (-3.0A)
NAP  A1901 (-3.0A)
None
NAP  A1901 (-3.4A)
 1.21A 2o5yH-2b4qA:
undetectable
2o5yL-2b4qA:
undetectable		 2o5yH-2b4qA:
19.93
2o5yL-2b4qA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASN X 241
TRP X  13
GLY X  15
THR X  68
 None
 1.16A 2o5yH-2bq8X:
undetectable
2o5yL-2bq8X:
undetectable		 2o5yH-2bq8X:
22.03
2o5yL-2bq8X:
21.00
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.
2chc PROTEIN RV3472

(Mycobacterium
tuberculosis) 		PF13577
(SnoaL_4) 		4 ASN A  26
GLY A  69
THR A  94
SER A  91
 None
 1.23A 2o5yH-2chcA:
undetectable
2o5yL-2chcA:
undetectable		 2o5yH-2chcA:
19.74
2o5yL-2chcA:
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.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 4 ASN A  16
GLY A  18
MET A  19
SER A  35
 None
 1.20A 2o5yH-2dgdA:
undetectable
2o5yL-2dgdA:
undetectable		 2o5yH-2dgdA:
21.46
2o5yL-2dgdA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 ASN A 407
GLY A  36
THR A  35
SER A 400
 None
 1.05A 2o5yH-2eceA:
undetectable
2o5yL-2eceA:
undetectable		 2o5yH-2eceA:
16.21
2o5yL-2eceA:
19.05
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.
2eqs ATP-DEPENDENT RNA
HELICASE DHX8

(Homo sapiens) 		PF00575
(S1) 		4 TRP A 291
GLY A 328
THR A 329
SER A 332
 None
 1.24A 2o5yH-2eqsA:
undetectable
2o5yL-2eqsA:
undetectable		 2o5yH-2eqsA:
18.78
2o5yL-2eqsA:
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		4 ASN B 217
GLY B 214
MET B 212
SER B 160
 None
 1.03A 2o5yH-2f9yB:
undetectable
2o5yL-2f9yB:
undetectable		 2o5yH-2f9yB:
20.88
2o5yL-2f9yB:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 4 ASN B 287
GLY B 289
THR B 293
SER B 660
 None
 1.15A 2o5yH-2j04B:
undetectable
2o5yL-2j04B:
undetectable		 2o5yH-2j04B:
19.66
2o5yL-2j04B:
18.24
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.
2j42 C2 TOXIN
COMPONENT-II

(Clostridium
botulinum) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 GLY A 446
THR A 448
TRP A 334
SER A 298
 None
 1.21A 2o5yH-2j42A:
undetectable
2o5yL-2j42A:
undetectable		 2o5yH-2j42A:
16.05
2o5yL-2j42A:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jk9 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 1

(Homo sapiens) 		PF00622
(SPRY) 		4 ASN A 136
GLY A 134
THR A 131
SER A 126
 None
 1.18A 2o5yH-2jk9A:
undetectable
2o5yL-2jk9A:
undetectable		 2o5yH-2jk9A:
21.98
2o5yL-2jk9A:
24.07
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.
2pc6 PROBABLE
ACETOLACTATE
SYNTHASE ISOZYME III
(SMALL SUBUNIT)

(Nitrosomonas
europaea) 		PF10369
(ALS_ss_C)
PF13710
(ACT_5) 		4 GLY A  52
THR A  50
MET A   1
SER A  77
 None
 1.07A 2o5yH-2pc6A:
undetectable
2o5yL-2pc6A:
undetectable		 2o5yH-2pc6A:
19.81
2o5yL-2pc6A:
20.61
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 ASN A 563
GLY A 564
THR A 924
SER A 974
 None
 1.25A 2o5yH-2po4A:
undetectable
2o5yL-2po4A:
undetectable		 2o5yH-2po4A:
11.87
2o5yL-2po4A:
11.77
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.
2poi BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		4 GLY A  58
THR A  60
TRP A  73
SER A  40
 None
 1.20A 2o5yH-2poiA:
undetectable
2o5yL-2poiA:
undetectable		 2o5yH-2poiA:
18.84
2o5yL-2poiA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		4 GLY A 101
THR A 137
MET A 102
SER A 165
 None
 1.27A 2o5yH-2pyhA:
undetectable
2o5yL-2pyhA:
undetectable		 2o5yH-2pyhA:
21.97
2o5yL-2pyhA:
22.14
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.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 GLY A 151
THR A 155
TRP A 158
MET A 150
 None
 1.11A 2o5yH-2vatA:
undetectable
2o5yL-2vatA:
undetectable		 2o5yH-2vatA:
19.09
2o5yL-2vatA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 GLY A 152
THR A 155
TRP A 158
MET A 150
 None
 1.22A 2o5yH-2vatA:
undetectable
2o5yL-2vatA:
undetectable		 2o5yH-2vatA:
19.09
2o5yL-2vatA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		4 ASN A 735
GLY A 734
THR A 711
SER A 792
 None
 1.19A 2o5yH-2w92A:
5.0
2o5yL-2w92A:
4.0		 2o5yH-2w92A:
17.75
2o5yL-2w92A:
15.03
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.
2wqp POLYSIALIC ACID
CAPSULE BIOSYNTHESIS
PROTEIN SIAC

(Neisseria
meningitidis) 		PF03102
(NeuB)
PF08666
(SAF) 		4 ASN A 184
GLY A 156
THR A 155
MET A 157
 WQP  A1350 (-3.5A)
None
None
None
 1.04A 2o5yH-2wqpA:
undetectable
2o5yL-2wqpA:
undetectable		 2o5yH-2wqpA:
21.33
2o5yL-2wqpA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASN A 605
GLY A 538
THR A 536
SER A 546
 None
 1.18A 2o5yH-2ww2A:
undetectable
2o5yL-2ww2A:
undetectable		 2o5yH-2ww2A:
14.33
2o5yL-2ww2A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 GLY A  58
TRP A  62
MET A  59
SER A 256
 None
 1.22A 2o5yH-2ww2A:
undetectable
2o5yL-2ww2A:
undetectable		 2o5yH-2ww2A:
14.33
2o5yL-2ww2A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 GLY A  52
TRP A  56
MET A  53
SER A 251
 None
 1.20A 2o5yH-2wzsA:
undetectable
2o5yL-2wzsA:
2.1		 2o5yH-2wzsA:
14.48
2o5yL-2wzsA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0h PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ASN A 278
GLY A 279
THR A 155
SER A 161
 None
 1.25A 2o5yH-2y0hA:
undetectable
2o5yL-2y0hA:
undetectable		 2o5yH-2y0hA:
18.25
2o5yL-2y0hA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf9 SCAE CELL-SURFACE
ANCHORED SCAFFOLDIN
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 GLY A  51
THR A  25
TRP A 166
SER A  20
 None
 1.10A 2o5yH-2zf9A:
2.6
2o5yL-2zf9A:
2.8		 2o5yH-2zf9A:
23.33
2o5yL-2zf9A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9l POLY-GAMMA-GLUTAMATE
HYDROLASE

(Bacillus virus
NIT1) 		PF05908
(Gamma_PGA_hydro) 		4 ASN A 154
GLY A 117
THR A 145
SER A  81
 None
None
None
PO4  A 261 (-2.5A)
 0.92A 2o5yH-3a9lA:
undetectable
2o5yL-3a9lA:
undetectable		 2o5yH-3a9lA:
19.51
2o5yL-3a9lA:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ASN A  66
GLY A 624
THR A 625
SER A  72
 None
 1.00A 2o5yH-3abzA:
3.6
2o5yL-3abzA:
4.8		 2o5yH-3abzA:
14.16
2o5yL-3abzA:
13.90
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ASN A  66
GLY A 624
THR A 625
SER A 667
 None
 1.22A 2o5yH-3abzA:
3.6
2o5yL-3abzA:
4.8		 2o5yH-3abzA:
14.16
2o5yL-3abzA:
13.90
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.
3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		4 GLY A  71
THR A  14
MET A  66
SER A  11
 None
PGE  A 502 ( 4.3A)
None
None
 1.13A 2o5yH-3c8fA:
undetectable
2o5yL-3c8fA:
undetectable		 2o5yH-3c8fA:
20.22
2o5yL-3c8fA:
20.54
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		4 ASN A 335
GLY A 317
TRP A 373
SER A 357
 None
 1.10A 2o5yH-3cz8A:
undetectable
2o5yL-3cz8A:
undetectable		 2o5yH-3cz8A:
19.94
2o5yL-3cz8A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dx9 DM1 T CELL RECEPTOR
ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ASN A  59
GLY A  56
TRP A  41
SER A  87
 None
 0.88A 2o5yH-3dx9A:
13.8
2o5yL-3dx9A:
13.5		 2o5yH-3dx9A:
24.89
2o5yL-3dx9A:
28.70
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.
3f6z PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09864
(MliC) 		4 GLY B 104
THR B 102
TRP B 101
SER B  89
 None
 1.19A 2o5yH-3f6zB:
undetectable
2o5yL-3f6zB:
undetectable		 2o5yH-3f6zB:
21.74
2o5yL-3f6zB:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g68 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Clostridioides
difficile) 		PF01380
(SIS) 		4 GLY A  87
THR A  39
MET A 114
SER A  47
 None
 1.25A 2o5yH-3g68A:
undetectable
2o5yL-3g68A:
undetectable		 2o5yH-3g68A:
20.11
2o5yL-3g68A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		4 ASN A 735
GLY A 734
THR A 711
SER A 792
 None
 1.16A 2o5yH-3gdbA:
5.0
2o5yL-3gdbA:
4.9		 2o5yH-3gdbA:
13.88
2o5yL-3gdbA:
13.11
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.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		4 GLY A  12
THR A  10
MET A  13
SER A  36
 None
 1.27A 2o5yH-3gk3A:
undetectable
2o5yL-3gk3A:
undetectable		 2o5yH-3gk3A:
21.03
2o5yL-3gk3A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hei EPHRIN TYPE-A
RECEPTOR 2
EPHRIN-A1

(Homo sapiens) 		PF00812
(Ephrin)
PF01404
(Ephrin_lbd) 		4 ASN A  30
GLY B 117
THR B 115
SER A  41
 None
 1.16A 2o5yH-3heiA:
2.0
2o5yL-3heiA:
undetectable		 2o5yH-3heiA:
22.36
2o5yL-3heiA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		4 GLY A 848
TRP A1099
MET A 299
SER A 305
 None
 1.26A 2o5yH-3ikmA:
undetectable
2o5yL-3ikmA:
undetectable		 2o5yH-3ikmA:
10.56
2o5yL-3ikmA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khd PYRUVATE KINASE

(Plasmodium
falciparum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ASN A 512
GLY A 502
THR A 431
SER A 401
 None
 1.19A 2o5yH-3khdA:
undetectable
2o5yL-3khdA:
undetectable		 2o5yH-3khdA:
18.27
2o5yL-3khdA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ASN A  65
GLY A  88
THR A  84
SER A  79
 None
 1.12A 2o5yH-3m07A:
3.1
2o5yL-3m07A:
2.7		 2o5yH-3m07A:
15.05
2o5yL-3m07A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbw EPHRIN TYPE-A
RECEPTOR 2
EPHRIN-A1

(Homo sapiens) 		PF00812
(Ephrin)
PF01404
(Ephrin_lbd) 		4 ASN A  57
GLY B 117
THR B 115
SER A  68
 None
 1.17A 2o5yH-3mbwA:
undetectable
2o5yL-3mbwA:
undetectable		 2o5yH-3mbwA:
20.82
2o5yL-3mbwA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 GLY A 261
THR A 265
MET A 260
SER A 715
 None
 1.23A 2o5yH-3n23A:
undetectable
2o5yL-3n23A:
undetectable		 2o5yH-3n23A:
13.00
2o5yL-3n23A:
12.36
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 TRP A 284
GLY A 281
THR A 264
SER A 223
 None
 1.09A 2o5yH-3nqhA:
undetectable
2o5yL-3nqhA:
undetectable		 2o5yH-3nqhA:
21.44
2o5yL-3nqhA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nz8 MOUSE ANTI V3
ANTIBODY 7C8 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN A  35
TRP A  50
GLY A  95
MET A 100
 None
 0.93A 2o5yH-3nz8A:
27.8
2o5yL-3nz8A:
15.6		 2o5yH-3nz8A:
60.27
2o5yL-3nz8A:
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.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 GLY A 185
THR A 197
MET A 168
SER A 160
 None
 1.25A 2o5yH-3okyA:
5.3
2o5yL-3okyA:
5.1		 2o5yH-3okyA:
15.96
2o5yL-3okyA:
15.70
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 ASN A  24
GLY A 516
THR A 484
SER A  80
 None
 1.00A 2o5yH-3pihA:
2.3
2o5yL-3pihA:
undetectable		 2o5yH-3pihA:
12.75
2o5yL-3pihA:
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLY A 423
THR A 422
TRP A 420
SER A  77
 None
 1.12A 2o5yH-3r0zA:
undetectable
2o5yL-3r0zA:
undetectable		 2o5yH-3r0zA:
18.90
2o5yL-3r0zA:
19.25
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ASN A 333
TRP A 332
GLY A 336
THR A 351
 None
 1.28A 2o5yH-3sdqA:
undetectable
2o5yL-3sdqA:
undetectable		 2o5yH-3sdqA:
13.19
2o5yL-3sdqA:
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.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 GLY A 437
THR A 165
MET A 438
SER A 427
 None
 1.11A 2o5yH-3sm9A:
undetectable
2o5yL-3sm9A:
undetectable		 2o5yH-3sm9A:
17.51
2o5yL-3sm9A:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 GLY X 425
THR X 424
TRP X 422
SER X  79
 PLP  X 502 ( 4.1A)
PLP  X 502 (-3.0A)
None
None
 1.16A 2o5yH-3ss7X:
undetectable
2o5yL-3ss7X:
undetectable		 2o5yH-3ss7X:
19.63
2o5yL-3ss7X:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t36 ENDO-TYPE
MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF01464
(SLT) 		4 ASN A 113
GLY A  79
MET A  81
SER A  88
 None
 1.09A 2o5yH-3t36A:
undetectable
2o5yL-3t36A:
undetectable		 2o5yH-3t36A:
22.31
2o5yL-3t36A:
20.33
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.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 ASN A  66
GLY A  68
THR A  71
SER A  60
 None
TE7  A   1 ( 4.1A)
None
None
 1.21A 2o5yH-3te7A:
undetectable
2o5yL-3te7A:
undetectable		 2o5yH-3te7A:
22.49
2o5yL-3te7A:
25.19
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASN A  83
GLY A  56
THR A  67
SER A  79
 None
 0.89A 2o5yH-3v9fA:
4.8
2o5yL-3v9fA:
4.1		 2o5yH-3v9fA:
15.38
2o5yL-3v9fA:
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 TRP A 304
GLY A 301
THR A 284
SER A 245
 None
 1.03A 2o5yH-3vszA:
undetectable
2o5yL-3vszA:
undetectable		 2o5yH-3vszA:
18.62
2o5yL-3vszA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq1 ENDOGLUCANASE A

(Pyrococcus
furiosus) 		PF01670
(Glyco_hydro_12) 		4 TRP A 186
GLY A 131
THR A 141
SER A 149
 None
None
NHE  A 404 (-3.6A)
None
 1.26A 2o5yH-3wq1A:
undetectable
2o5yL-3wq1A:
undetectable		 2o5yH-3wq1A:
22.35
2o5yL-3wq1A:
18.18
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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		4 ASN A 490
GLY A 492
THR A 495
TRP A 496
 None
 1.25A 2o5yH-4ar9A:
2.8
2o5yL-4ar9A:
2.8		 2o5yH-4ar9A:
20.30
2o5yL-4ar9A:
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ASN A 477
TRP A 280
GLY A 476
THR A 496
SER A  46
 FAD  A 551 (-3.4A)
FAD  A 551 ( 4.7A)
FAD  A 551 ( 3.8A)
None
FAD  A 551 (-2.5A)
 1.26A 2o5yH-4c3yA:
undetectable
2o5yL-4c3yA:
undetectable		 2o5yH-4c3yA:
18.20
2o5yL-4c3yA:
16.04
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ASN A 561
GLY A 149
THR A 145
MET A 150
 None
 1.18A 2o5yH-4cj0A:
6.0
2o5yL-4cj0A:
6.7		 2o5yH-4cj0A:
16.64
2o5yL-4cj0A:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASN A  80
TRP A  75
GLY A  79
SER A  30
 None
 1.09A 2o5yH-4d5gA:
undetectable
2o5yL-4d5gA:
undetectable		 2o5yH-4d5gA:
17.52
2o5yL-4d5gA:
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.
4dne STREPTAVIDIN

(Streptomyces
avidinii) 		PF01382
(Avidin) 		4 TRP A  75
GLY A  94
THR A 106
TRP A 108
 None
None
None
DTB  A 201 (-3.3A)
 1.26A 2o5yH-4dneA:
undetectable
2o5yL-4dneA:
undetectable		 2o5yH-4dneA:
23.87
2o5yL-4dneA:
24.67
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASN A 103
GLY A 265
THR A 206
SER A 159
 None
 1.09A 2o5yH-4e1jA:
undetectable
2o5yL-4e1jA:
undetectable		 2o5yH-4e1jA:
18.53
2o5yL-4e1jA:
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.
4euo ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (POLYAMINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		4 ASN A 223
GLY A 224
THR A 282
SER A 302
 None
 0.86A 2o5yH-4euoA:
undetectable
2o5yL-4euoA:
undetectable		 2o5yH-4euoA:
21.02
2o5yL-4euoA:
23.32
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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASN A 701
GLY A 790
THR A 788
TRP A 785
 None
 0.94A 2o5yH-4fxdA:
undetectable
2o5yL-4fxdA:
undetectable		 2o5yH-4fxdA:
12.76
2o5yL-4fxdA:
12.90
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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 4 ASN A 235
GLY A 191
THR A 170
SER A 224
 None
 1.17A 2o5yH-4iikA:
undetectable
2o5yL-4iikA:
undetectable		 2o5yH-4iikA:
21.81
2o5yL-4iikA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		4 ASN C  97
GLY C 113
THR C 111
SER C 152
 None
 1.20A 2o5yH-4jhpC:
undetectable
2o5yL-4jhpC:
undetectable		 2o5yH-4jhpC:
21.74
2o5yL-4jhpC:
18.93
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		4 ASN A 143
GLY A 171
MET A  89
SER A  92
 None
 0.93A 2o5yH-4k8lA:
undetectable
2o5yL-4k8lA:
undetectable		 2o5yH-4k8lA:
22.92
2o5yL-4k8lA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mir PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
abortus) 		PF09864
(MliC) 		4 GLY A  98
THR A  96
TRP A  95
SER A  83
 None
 1.19A 2o5yH-4mirA:
undetectable
2o5yL-4mirA:
undetectable		 2o5yH-4mirA:
19.56
2o5yL-4mirA:
23.56
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.
4odb JUNCTIONAL ADHESION
MOLECULE A
OUTER CAPSID PROTEIN
SIGMA-1

(Homo sapiens;
Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1)
PF07686
(V-set) 		4 ASN D  76
GLY A 398
THR A 397
SER D 112
 None
 1.20A 2o5yH-4odbD:
13.6
2o5yL-4odbD:
14.4		 2o5yH-4odbD:
19.47
2o5yL-4odbD:
21.57
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		4 ASN A 168
GLY A 202
THR A 205
SER A 175
 None
 1.23A 2o5yH-4repA:
undetectable
2o5yL-4repA:
undetectable		 2o5yH-4repA:
19.19
2o5yL-4repA:
18.37
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.
4wep PUTATIVE
OSMOPROTECTANT
UPTAKE SYSTEM
SUBSTRATE-BINDING
PROTEIN OSMF

(Escherichia
coli) 		PF04069
(OpuAC) 		4 ASN A 128
GLY A 220
THR A 131
TRP A 130
 None
 1.19A 2o5yH-4wepA:
undetectable
2o5yL-4wepA:
undetectable		 2o5yH-4wepA:
24.21
2o5yL-4wepA:
21.54
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.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 GLY A 200
THR B  47
MET A 201
SER A 206
 None
 1.12A 2o5yH-4wj3A:
undetectable
2o5yL-4wj3A:
undetectable		 2o5yH-4wj3A:
18.80
2o5yL-4wj3A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ASN A 107
GLY A 101
THR A  47
SER A  98
 None
None
None
FMN  A 401 ( 4.5A)
 1.25A 2o5yH-4wzhA:
undetectable
2o5yL-4wzhA:
undetectable		 2o5yH-4wzhA:
18.64
2o5yL-4wzhA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ASN A 346
GLY A 324
THR A 325
SER A 374
 None
 1.11A 2o5yH-4z64A:
undetectable
2o5yL-4z64A:
undetectable		 2o5yH-4z64A:
15.06
2o5yL-4z64A:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 GLY A 268
THR A 272
MET A 267
SER A 722
 None
 1.26A 2o5yH-5aw4A:
undetectable
2o5yL-5aw4A:
undetectable		 2o5yH-5aw4A:
13.30
2o5yL-5aw4A:
11.63
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASN A 455
GLY A 453
THR A 449
MET A 417
 None
 1.19A 2o5yH-5chcA:
undetectable
2o5yL-5chcA:
undetectable		 2o5yH-5chcA:
12.85
2o5yL-5chcA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1q INNEXIN-6

(Caenorhabditis
elegans) 		PF00876
(Innexin) 		4 ASN A 294
TRP A 298
TRP A 126
SER A 195
 None
 1.23A 2o5yH-5h1qA:
undetectable
2o5yL-5h1qA:
undetectable		 2o5yH-5h1qA:
18.88
2o5yL-5h1qA:
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.
5hgq LYSINE--TRNA LIGASE

(Loa loa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ASN A 328
GLY A 397
THR A 416
SER A 411
 None
 1.08A 2o5yH-5hgqA:
undetectable
2o5yL-5hgqA:
undetectable		 2o5yH-5hgqA:
16.83
2o5yL-5hgqA:
17.78
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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04453
(OstA_C) 		4 ASN A 501
GLY A 540
MET A 544
SER A 462
 None
 1.21A 2o5yH-5ixmA:
undetectable
2o5yL-5ixmA:
undetectable		 2o5yH-5ixmA:
17.99
2o5yL-5ixmA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		4 ASN A 238
GLY A  89
THR A 253
SER A 208
 None
 1.26A 2o5yH-5jfmA:
undetectable
2o5yL-5jfmA:
undetectable		 2o5yH-5jfmA:
17.73
2o5yL-5jfmA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5g PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 GLY A 185
THR A 197
MET A 168
SER A 160
 None
 1.24A 2o5yH-5l5gA:
4.9
2o5yL-5l5gA:
5.2		 2o5yH-5l5gA:
11.35
2o5yL-5l5gA:
10.89
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 4 GLY A 101
THR A 137
MET A 102
SER A 165
 None
 1.14A 2o5yH-5lw3A:
undetectable
2o5yL-5lw3A:
undetectable		 2o5yH-5lw3A:
21.28
2o5yL-5lw3A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 4 ASN A 562
GLY A 621
THR A 622
SER A 683
 None
 1.28A 2o5yH-5n2gA:
undetectable
2o5yL-5n2gA:
undetectable		 2o5yH-5n2gA:
16.34
2o5yL-5n2gA:
16.13
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 4 ASN A 424
GLY A 426
THR A 437
MET A 427
 None
None
None
9NB  A 803 (-4.7A)
 1.26A 2o5yH-5o7eA:
2.4
2o5yL-5o7eA:
2.2		 2o5yH-5o7eA:
16.51
2o5yL-5o7eA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wco NS2

(Salmon isavirus) 		no annotation 4 GLY A  42
THR A  46
MET A  41
SER A   4
 None
 1.20A 2o5yH-5wcoA:
undetectable
2o5yL-5wcoA:
undetectable		 2o5yH-5wcoA:
19.41
2o5yL-5wcoA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 4 ASN A 320
GLY A 326
THR A 475
SER A 478
 None
 1.24A 2o5yH-5wqsA:
undetectable
2o5yL-5wqsA:
undetectable		 2o5yH-5wqsA:
17.02
2o5yL-5wqsA:
16.33
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.
5xnr ALYQ

(Persicobacter
sp. CCB-QB2) 		no annotation 4 GLY A 297
THR A 302
TRP A 303
SER A 217
 None
None
ACT  A 603 (-4.0A)
ACT  A 603 ( 4.5A)
 1.19A 2o5yH-5xnrA:
undetectable
2o5yL-5xnrA:
2.1		 2o5yH-5xnrA:
19.89
2o5yL-5xnrA:
16.43
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 GLY A 655
THR A 659
MET A 654
SER A  39
 None
 1.26A 2o5yH-5yj6A:
undetectable
2o5yL-5yj6A:
undetectable		 2o5yH-5yj6A:
19.44
2o5yL-5yj6A:
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.
5zic -

(-) 		no annotation 4 ASN A 421
GLY A 381
THR A 556
SER A 712
 None
 1.23A 2o5yH-5zicA:
undetectable
2o5yL-5zicA:
undetectable		 2o5yH-5zicA:
undetectable
2o5yL-5zicA:
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.
6ftx -

(-) 		no annotation 4 ASN W 315
GLY W 458
MET W 457
SER W 747
 None
 1.02A 2o5yH-6ftxW:
undetectable
2o5yL-6ftxW:
undetectable		 2o5yH-6ftxW:
undetectable
2o5yL-6ftxW:
undetectable