SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z53_F_TR6F101

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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 GLY A 619
ASP A 618
GLY A 537
SER A 500
 None
 0.90A 4z53A-1c7tA:
undetectable
4z53B-1c7tA:
undetectable		 4z53A-1c7tA:
22.48
4z53B-1c7tA:
22.48
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLY A 104
ASP A 107
GLY A 102
SER A 121
 None
 0.96A 4z53A-1csjA:
3.9
4z53B-1csjA:
4.0		 4z53A-1csjA:
21.50
4z53B-1csjA:
21.50
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.
1d02 TYPE II RESTRICTION
ENZYME MUNI

(Mycoplasma) 		PF11407
(RestrictionMunI) 		4 GLY A 104
ASP A 159
GLY A 116
SER A 122
 None
 0.98A 4z53A-1d02A:
undetectable
4z53B-1d02A:
undetectable		 4z53A-1d02A:
14.07
4z53B-1d02A:
14.07
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 GLY A 448
ASP A 450
GLY A 170
SER A 462
 None
 1.03A 4z53A-1gqjA:
1.6
4z53B-1gqjA:
0.0		 4z53A-1gqjA:
20.79
4z53B-1gqjA:
20.79
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.
1l8f ENDOGLUCANASE

(Melanocarpus
albomyces) 		PF02015
(Glyco_hydro_45) 		4 GLY A 115
ASP A 113
GLY A  78
SER A 107
 None
 1.04A 4z53A-1l8fA:
undetectable
4z53B-1l8fA:
undetectable		 4z53A-1l8fA:
14.15
4z53B-1l8fA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLY A 238
ASP A 234
GLY A 397
SER A  24
 None
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.7A)
None
 1.04A 4z53A-1v8bA:
undetectable
4z53B-1v8bA:
undetectable		 4z53A-1v8bA:
21.68
4z53B-1v8bA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 232
ASP A 231
GLY A 101
SER A 365
 None
 0.95A 4z53A-1w9xA:
undetectable
4z53B-1w9xA:
undetectable		 4z53A-1w9xA:
20.63
4z53B-1w9xA:
20.63
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 GLY A 281
ASP A 218
GLY A 214
SER A 227
 None
 0.83A 4z53A-2abjA:
undetectable
4z53B-2abjA:
undetectable		 4z53A-2abjA:
19.64
4z53B-2abjA:
19.64
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 232
ASP A 231
GLY A 101
SER A 365
 None
 0.96A 4z53A-2d3lA:
0.0
4z53B-2d3lA:
0.0		 4z53A-2d3lA:
19.95
4z53B-2d3lA:
19.95
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.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		4 GLY X 105
ASP X  14
GLY X   9
SER X 132
 None
 1.02A 4z53A-2dchX:
2.5
4z53B-2dchX:
2.5		 4z53A-2dchX:
15.78
4z53B-2dchX:
15.78
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.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 232
ASP A 231
GLY A 101
SER A 365
 None
 1.01A 4z53A-2dieA:
undetectable
4z53B-2dieA:
undetectable		 4z53A-2dieA:
19.83
4z53B-2dieA:
19.83
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 4 GLY A 138
ASP A 127
GLY A  78
ARG A 100
 LAQ  A2001 ( 3.4A)
MG  A3001 ( 3.3A)
LAQ  A2001 ( 3.2A)
ACY  A5001 ( 4.2A)
 1.01A 4z53A-2e5aA:
3.2
4z53B-2e5aA:
2.6		 4z53A-2e5aA:
18.63
4z53B-2e5aA:
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 GLY A 774
ASP A 776
GLY A 770
ARG A 733
 None
 0.93A 4z53A-2eaeA:
undetectable
4z53B-2eaeA:
undetectable		 4z53A-2eaeA:
21.85
4z53B-2eaeA:
21.85
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLY A 305
ASP A 327
GLY A 335
SER A 157
 None
 0.91A 4z53A-2ep5A:
undetectable
4z53B-2ep5A:
undetectable		 4z53A-2ep5A:
20.88
4z53B-2ep5A:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLY A 216
ASP A 239
GLY A 243
ARG A 577
 None
FAD  A1000 (-2.9A)
None
None
 0.96A 4z53A-2fjaA:
undetectable
4z53B-2fjaA:
undetectable		 4z53A-2fjaA:
23.35
4z53B-2fjaA:
23.35
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.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 157
ASP A 160
GLY A 185
SER A 197
 None
 1.04A 4z53A-2hjrA:
undetectable
4z53B-2hjrA:
2.2		 4z53A-2hjrA:
18.83
4z53B-2hjrA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 157
ASP A 160
GLY A 283
SER A 197
 None
 1.02A 4z53A-2hjrA:
undetectable
4z53B-2hjrA:
2.2		 4z53A-2hjrA:
18.83
4z53B-2hjrA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		4 GLY A 215
GLY A 154
SER A 105
ARG A 148
 5RP  A 294 (-3.7A)
5RP  A 294 (-3.4A)
5RP  A 294 ( 4.7A)
5RP  A 294 (-3.7A)
 1.02A 4z53A-2issA:
undetectable
4z53B-2issA:
undetectable		 4z53A-2issA:
19.09
4z53B-2issA:
19.09
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.
2j5b TYROSYL-TRNA
SYNTHETASE

(Acanthamoeba
polyphaga
mimivirus) 		PF00579
(tRNA-synt_1b) 		4 GLY A 230
ASP A 227
GLY A 218
ARG A 247
 GLY  A 230 ( 0.0A)
ASP  A 227 ( 0.5A)
GLY  A 218 ( 0.0A)
ARG  A 247 ( 0.6A)
 0.92A 4z53A-2j5bA:
undetectable
4z53B-2j5bA:
1.8		 4z53A-2j5bA:
17.36
4z53B-2j5bA:
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		4 GLY A 214
GLY A 153
SER A 104
ARG A 147
 None
 0.81A 4z53A-2nv2A:
undetectable
4z53B-2nv2A:
undetectable		 4z53A-2nv2A:
18.27
4z53B-2nv2A:
18.27
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 GLY B 557
GLY B 571
SER B 714
ARG B 581
 None
 0.87A 4z53A-2o8eB:
undetectable
4z53B-2o8eB:
2.5		 4z53A-2o8eB:
21.76
4z53B-2o8eB:
21.76
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		4 GLY A 125
ASP A  37
GLY A  34
SER A  88
 None
 0.95A 4z53A-2qzxA:
undetectable
4z53B-2qzxA:
undetectable		 4z53A-2qzxA:
22.06
4z53B-2qzxA:
22.06
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.
2rui LPXTG-SITE
TRANSPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF04203
(Sortase) 		4 GLY A 201
ASP A 202
GLY A 162
SER A  87
 None
 1.01A 4z53A-2ruiA:
undetectable
4z53B-2ruiA:
undetectable		 4z53A-2ruiA:
14.18
4z53B-2ruiA:
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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 GLY A 138
ASP A 137
GLY A 134
ARG A 164
 None
 0.89A 4z53A-2y4yA:
undetectable
4z53B-2y4yA:
undetectable		 4z53A-2y4yA:
9.76
4z53B-2y4yA:
9.76
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 GLY A 123
ASP A 124
GLY A 119
SER A 271
 HEM  A 350 ( 3.8A)
None
None
None
 0.82A 4z53A-2yp1A:
undetectable
4z53B-2yp1A:
undetectable		 4z53A-2yp1A:
17.99
4z53B-2yp1A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 GLY A 123
ASP A 124
GLY A 119
SER A 272
 HEM  A 350 ( 3.8A)
None
None
None
 0.87A 4z53A-2yp1A:
undetectable
4z53B-2yp1A:
undetectable		 4z53A-2yp1A:
17.99
4z53B-2yp1A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLY A 126
ASP A 125
GLY A  81
SER A 184
 None
 1.03A 4z53A-2z01A:
undetectable
4z53B-2z01A:
undetectable		 4z53A-2z01A:
19.48
4z53B-2z01A:
19.48
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		4 GLY A 132
ASP A  80
GLY A  75
ARG A 160
 None
 1.03A 4z53A-2zdsA:
undetectable
4z53B-2zdsA:
undetectable		 4z53A-2zdsA:
18.95
4z53B-2zdsA:
18.95
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		4 GLY A 219
ASP A 218
GLY A 257
SER A 247
 None
 0.93A 4z53A-2zukA:
undetectable
4z53B-2zukA:
2.1		 4z53A-2zukA:
20.70
4z53B-2zukA:
20.70
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.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		4 GLY A  13
ASP A  69
GLY A  39
SER A  63
 None
 0.97A 4z53A-3ax6A:
2.4
4z53B-3ax6A:
2.8		 4z53A-3ax6A:
19.47
4z53B-3ax6A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 GLY A  37
ASP A  38
GLY A  56
SER A 265
 None
 0.91A 4z53A-3b1bA:
undetectable
4z53B-3b1bA:
undetectable		 4z53A-3b1bA:
19.47
4z53B-3b1bA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		4 GLY A 171
ASP A 167
GLY A 205
SER A 196
 None
 1.03A 4z53A-3bblA:
undetectable
4z53B-3bblA:
undetectable		 4z53A-3bblA:
17.61
4z53B-3bblA:
17.61
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.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		4 GLY A 207
ASP A 208
GLY A 214
SER A  72
 None
 0.99A 4z53A-3cs3A:
undetectable
4z53B-3cs3A:
undetectable		 4z53A-3cs3A:
16.96
4z53B-3cs3A:
16.96
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.
3ewi N-ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Mus musculus) 		no annotation 4 GLY A 143
ASP A 126
GLY A  23
SER A 110
 None
 1.04A 4z53A-3ewiA:
undetectable
4z53B-3ewiA:
undetectable		 4z53A-3ewiA:
13.78
4z53B-3ewiA:
13.78
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		4 GLY A  58
ASP A  53
GLY A 175
SER A  94
 None
None
None
SO4  A 406 (-3.6A)
 1.03A 4z53A-3fsgA:
2.5
4z53B-3fsgA:
2.6		 4z53A-3fsgA:
16.84
4z53B-3fsgA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		4 GLY A 119
ASP A  37
GLY A  34
SER A  82
 None
 1.00A 4z53A-3fv3A:
undetectable
4z53B-3fv3A:
undetectable		 4z53A-3fv3A:
16.96
4z53B-3fv3A:
16.96
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 531
ASP A 506
GLY A 503
SER A 456
 None
 0.68A 4z53A-3gq9A:
undetectable
4z53B-3gq9A:
undetectable		 4z53A-3gq9A:
21.09
4z53B-3gq9A:
21.09
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 GLY A 171
ASP A 118
GLY A 174
SER A 221
 None
 1.02A 4z53A-3h0gA:
undetectable
4z53B-3h0gA:
3.2		 4z53A-3h0gA:
18.97
4z53B-3h0gA:
18.97
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 GLY B 302
ASP B 307
GLY B 195
ARG B 525
 None
 0.96A 4z53A-3hkzB:
undetectable
4z53B-3hkzB:
undetectable		 4z53A-3hkzB:
22.01
4z53B-3hkzB:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 GLY 1 379
ASP 1 383
GLY 1 375
SER 1 413
 None
 1.02A 4z53A-3i9v1:
undetectable
4z53B-3i9v1:
undetectable		 4z53A-3i9v1:
20.56
4z53B-3i9v1:
20.56
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 166
ASP A 172
GLY A 192
SER A 237
 None
 0.99A 4z53A-3ik4A:
undetectable
4z53B-3ik4A:
undetectable		 4z53A-3ik4A:
21.04
4z53B-3ik4A:
21.04
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 GLY W1216
ASP W1209
GLY W1214
ARG W1175
 None
 0.96A 4z53A-3iylW:
undetectable
4z53B-3iylW:
undetectable		 4z53A-3iylW:
19.89
4z53B-3iylW:
19.89
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF17

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 GLY L 199
ASP L 198
GLY L 195
SER L 212
 None
 1.02A 4z53A-3jb9L:
undetectable
4z53B-3jb9L:
undetectable		 4z53A-3jb9L:
18.15
4z53B-3jb9L:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		4 GLY A  89
ASP A 148
GLY A 332
SER A 141
 None
 0.86A 4z53A-3lnpA:
undetectable
4z53B-3lnpA:
undetectable		 4z53A-3lnpA:
21.34
4z53B-3lnpA:
21.34
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.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		4 GLY A 216
ASP A 217
GLY A 227
ARG A 258
 None
IOD  A 342 ( 4.5A)
None
None
 1.01A 4z53A-3menA:
1.7
4z53B-3menA:
1.4		 4z53A-3menA:
18.69
4z53B-3menA:
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		4 GLY A 214
GLY A 152
SER A 103
ARG A 146
 None
 0.82A 4z53A-3o07A:
undetectable
4z53B-3o07A:
undetectable		 4z53A-3o07A:
18.06
4z53B-3o07A:
18.06
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 GLY A 381
GLY A 383
SER A 319
ARG A 415
 None
 0.88A 4z53A-3ohnA:
undetectable
4z53B-3ohnA:
undetectable		 4z53A-3ohnA:
21.31
4z53B-3ohnA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		4 GLY A 214
GLY A 167
SER A 204
ARG A 210
 None
 0.99A 4z53A-3orfA:
undetectable
4z53B-3orfA:
undetectable		 4z53A-3orfA:
17.28
4z53B-3orfA:
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLY A 104
ASP A 107
GLY A 102
SER A 121
 None
 0.92A 4z53A-3qghA:
2.7
4z53B-3qghA:
2.7		 4z53A-3qghA:
21.96
4z53B-3qghA:
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 469
ASP A 470
GLY A 465
ARG A 439
 None
 0.94A 4z53A-3sucA:
undetectable
4z53B-3sucA:
undetectable		 4z53A-3sucA:
20.36
4z53B-3sucA:
20.36
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 531
ASP A 506
GLY A 503
SER A 456
 None
 0.80A 4z53A-3sucA:
undetectable
4z53B-3sucA:
undetectable		 4z53A-3sucA:
20.36
4z53B-3sucA:
20.36
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 GLY A 453
ASP A 452
GLY A 477
SER A 143
 None
 0.83A 4z53A-3szeA:
undetectable
4z53B-3szeA:
undetectable		 4z53A-3szeA:
22.27
4z53B-3szeA:
22.27
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 310
ASP A 311
GLY A 308
SER A  91
 None
GOL  A 400 (-2.7A)
None
None
 0.98A 4z53A-3tjiA:
undetectable
4z53B-3tjiA:
undetectable		 4z53A-3tjiA:
19.04
4z53B-3tjiA:
19.04
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 GLY A  63
GLY A  91
SER A 207
ARG A 246
 None
 1.03A 4z53A-3v4yA:
undetectable
4z53B-3v4yA:
undetectable		 4z53A-3v4yA:
18.99
4z53B-3v4yA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLY A 320
ASP A 353
GLY A 335
SER A 367
 None
 1.02A 4z53A-3vtfA:
2.1
4z53B-3vtfA:
undetectable		 4z53A-3vtfA:
21.53
4z53B-3vtfA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		4 GLY B 163
ASP B 167
GLY B 268
SER B   9
 ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
AGS  B1342 ( 4.9A)
 0.84A 4z53A-3zeuB:
undetectable
4z53B-3zeuB:
undetectable		 4z53A-3zeuB:
19.05
4z53B-3zeuB:
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 GLY B 244
ASP B 243
GLY B 226
SER B 121
 None
 0.90A 4z53A-4aczB:
undetectable
4z53B-4aczB:
undetectable		 4z53A-4aczB:
20.03
4z53B-4aczB:
20.03
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.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		4 GLY A 217
GLY A 156
SER A 107
ARG A 150
 PO4  A 302 (-3.8A)
PO4  A 302 (-3.6A)
None
None
 0.86A 4z53A-4adsA:
undetectable
4z53B-4adsA:
undetectable		 4z53A-4adsA:
17.69
4z53B-4adsA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 GLY A 292
GLY A 290
SER A 602
ARG A 309
 None
 0.90A 4z53A-4bziA:
undetectable
4z53B-4bziA:
undetectable		 4z53A-4bziA:
21.28
4z53B-4bziA:
21.28
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		4 ASP A 277
GLY A 451
SER A 251
ARG A 239
 None
 0.94A 4z53A-4c3yA:
undetectable
4z53B-4c3yA:
undetectable		 4z53A-4c3yA:
22.31
4z53B-4c3yA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		4 GLY A 323
ASP A 325
GLY A 294
SER A 342
 None
FE  A 501 (-2.8A)
None
None
 0.89A 4z53A-4f0lA:
undetectable
4z53B-4f0lA:
undetectable		 4z53A-4f0lA:
21.75
4z53B-4f0lA:
21.75
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 GLY A 185
ASP A 184
GLY A  70
ARG A 162
 None
None
PO4  A 301 ( 3.8A)
None
 0.90A 4z53A-4gd5A:
undetectable
4z53B-4gd5A:
undetectable		 4z53A-4gd5A:
17.52
4z53B-4gd5A:
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.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLY A 217
ASP A 213
GLY A 221
SER A 189
 None
 1.03A 4z53A-4h16A:
2.7
4z53B-4h16A:
undetectable		 4z53A-4h16A:
16.60
4z53B-4h16A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 GLY A 422
GLY A 450
SER A 566
ARG A 612
 None
 0.99A 4z53A-4il1A:
undetectable
4z53B-4il1A:
undetectable		 4z53A-4il1A:
23.43
4z53B-4il1A:
23.43
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 GLY A 357
ASP A 376
GLY A 466
SER A 316
 None
 0.95A 4z53A-4j3bA:
undetectable
4z53B-4j3bA:
undetectable		 4z53A-4j3bA:
22.89
4z53B-4j3bA:
22.89
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  48
ASP A  71
GLY A  52
SER A 152
 FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.4A)
None
 0.98A 4z53A-4j57A:
undetectable
4z53B-4j57A:
undetectable		 4z53A-4j57A:
23.30
4z53B-4j57A:
23.30
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		4 GLY A 219
GLY A 158
SER A 109
ARG A 152
 None
 0.89A 4z53A-4jdyA:
undetectable
4z53B-4jdyA:
undetectable		 4z53A-4jdyA:
18.42
4z53B-4jdyA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 GLY B 171
ASP B 172
GLY B  91
SER B 242
 None
ACT  B 902 (-3.5A)
PYC  B 904 (-3.5A)
None
 1.01A 4z53A-4k7gB:
undetectable
4z53B-4k7gB:
undetectable		 4z53A-4k7gB:
18.59
4z53B-4k7gB:
18.59
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.
4kaq RITUXIMAB HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  56
ASP H  57
GLY H  54
SER H  99
 None
 1.03A 4z53A-4kaqH:
2.0
4z53B-4kaqH:
2.3		 4z53A-4kaqH:
13.74
4z53B-4kaqH:
13.74
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLY A1116
ASP A1117
GLY A1121
SER A1150
 None
None
ATP  A1402 (-3.3A)
None
 0.97A 4z53A-4n1aA:
undetectable
4z53B-4n1aA:
undetectable		 4z53A-4n1aA:
22.57
4z53B-4n1aA:
22.57
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 165
ASP A 168
GLY A 193
SER A 205
 None
 0.96A 4z53A-4nd4A:
2.4
4z53B-4nd4A:
1.7		 4z53A-4nd4A:
18.16
4z53B-4nd4A:
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 165
ASP A 168
GLY A 288
SER A 205
 None
 0.73A 4z53A-4nd4A:
2.4
4z53B-4nd4A:
1.7		 4z53A-4nd4A:
18.16
4z53B-4nd4A:
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLY A1116
ASP A1117
GLY A1121
SER A1150
 None
None
ATP  A1404 (-3.2A)
None
 0.94A 4z53A-4nh0A:
undetectable
4z53B-4nh0A:
undetectable		 4z53A-4nh0A:
20.75
4z53B-4nh0A:
20.75
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		4 GLY A 218
ASP A 217
GLY A 214
SER A 105
 BU1  A 307 ( 3.7A)
None
BU1  A 307 (-4.1A)
None
 0.83A 4z53A-4op4A:
1.9
4z53B-4op4A:
2.5		 4z53A-4op4A:
16.06
4z53B-4op4A:
16.06
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.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 GLY A 155
ASP A 154
GLY A  40
ARG A 132
 None
None
PO4  A 301 (-3.6A)
None
 0.90A 4z53A-4q8rA:
undetectable
4z53B-4q8rA:
undetectable		 4z53A-4q8rA:
17.14
4z53B-4q8rA:
17.14
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.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 GLY A 223
ASP A  48
GLY A 225
SER A 345
 None
 1.03A 4z53A-4qyjA:
undetectable
4z53B-4qyjA:
undetectable		 4z53A-4qyjA:
21.95
4z53B-4qyjA:
21.95
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 GLY A 432
ASP A 497
GLY A 495
ARG A 531
 None
 0.99A 4z53A-4r1dA:
2.0
4z53B-4r1dA:
2.2		 4z53A-4r1dA:
21.39
4z53B-4r1dA:
21.39
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.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Geobacillus
kaustophilus) 		PF01680
(SOR_SNZ) 		4 GLY A 214
GLY A 153
SER A 104
ARG A 147
 L5P  A  81 ( 3.7A)
L5P  A  81 ( 3.8A)
L5P  A  81 ( 3.8A)
None
 0.83A 4z53A-4wxzA:
undetectable
4z53B-4wxzA:
undetectable		 4z53A-4wxzA:
18.45
4z53B-4wxzA:
18.45
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		4 GLY A  42
ASP A  64
GLY A  46
SER A 110
 None
 0.83A 4z53A-4y7dA:
2.9
4z53B-4y7dA:
1.8		 4z53A-4y7dA:
15.50
4z53B-4y7dA:
15.50
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 131
ASP A 132
GLY A  71
SER A 315
 None
 0.94A 4z53A-5by7A:
undetectable
4z53B-5by7A:
undetectable		 4z53A-5by7A:
21.79
4z53B-5by7A:
21.79
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		4 GLY A 192
ASP A 194
GLY A  31
ARG A 173
 None
None
None
MG  A 302 (-4.1A)
 0.92A 4z53A-5ex2A:
undetectable
4z53B-5ex2A:
undetectable		 4z53A-5ex2A:
17.21
4z53B-5ex2A:
17.21
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 GLY A 288
ASP A 289
GLY A  77
ARG A 296
 None
 1.04A 4z53A-5f7cA:
undetectable
4z53B-5f7cA:
undetectable		 4z53A-5f7cA:
24.48
4z53B-5f7cA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 143
ASP A 103
GLY A 132
SER A  36
 None
 0.94A 4z53A-5fokA:
undetectable
4z53B-5fokA:
undetectable		 4z53A-5fokA:
23.67
4z53B-5fokA:
23.67
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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 143
ASP A 103
GLY A 132
SER A  38
 None
 0.76A 4z53A-5fokA:
undetectable
4z53B-5fokA:
undetectable		 4z53A-5fokA:
23.67
4z53B-5fokA:
23.67
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 139
ASP A 135
GLY A 178
SER A 169
 None
 0.97A 4z53A-5hsgA:
3.4
4z53B-5hsgA:
2.3		 4z53A-5hsgA:
17.10
4z53B-5hsgA:
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		4 GLY A 298
GLY A 277
SER A 270
ARG A 387
 None
 0.91A 4z53A-5hy4A:
undetectable
4z53B-5hy4A:
undetectable		 4z53A-5hy4A:
19.67
4z53B-5hy4A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iu9 PROTOCADHERIN-19
ISOFORM 1

(Danio rerio) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLY A 248
ASP A 241
GLY A 299
SER A 116
 CA  A1006 ( 4.4A)
CA  A1006 (-2.1A)
None
None
 0.99A 4z53A-5iu9A:
undetectable
4z53B-5iu9A:
undetectable		 4z53A-5iu9A:
21.32
4z53B-5iu9A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 GLY A 230
GLY A 169
SER A 120
ARG A 163
 SO4  A 403 (-3.4A)
SO4  A 403 (-3.6A)
6R3  A 404 (-3.1A)
6R3  A 404 (-3.8A)
 0.83A 4z53A-5k2zA:
undetectable
4z53B-5k2zA:
undetectable		 4z53A-5k2zA:
19.65
4z53B-5k2zA:
19.65
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 GLY A 194
ASP A 238
GLY A 191
SER A  75
 None
 0.82A 4z53A-5k3hA:
undetectable
4z53B-5k3hA:
undetectable		 4z53A-5k3hA:
24.44
4z53B-5k3hA:
24.44
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.
5lnt PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.1

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 GLY A 231
GLY A 170
SER A 121
ARG A 164
 KPR  A 401 (-3.6A)
KPR  A 401 (-3.9A)
KPR  A 401 (-3.2A)
KPR  A 401 (-4.0A)
 0.85A 4z53A-5lntA:
undetectable
4z53B-5lntA:
undetectable		 4z53A-5lntA:
20.00
4z53B-5lntA:
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		4 GLY A 219
ASP A 218
GLY A 257
SER A 247
 None
 0.93A 4z53A-5m49A:
undetectable
4z53B-5m49A:
undetectable		 4z53A-5m49A:
18.68
4z53B-5m49A:
18.68
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 4 GLY C 341
ASP C 299
GLY C 346
SER C  91
 None
 1.02A 4z53A-5mg5C:
undetectable
4z53B-5mg5C:
undetectable		 4z53A-5mg5C:
7.33
4z53B-5mg5C:
7.33
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 235
ASP A 234
GLY A 229
SER A 185
ARG A 168
 None
 1.18A 4z53A-5neuA:
undetectable
4z53B-5neuA:
undetectable		 4z53A-5neuA:
23.06
4z53B-5neuA:
23.06
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 GLY A 112
ASP A 113
GLY A 195
ARG A 106
 None
 0.75A 4z53A-5th6A:
1.7
4z53B-5th6A:
undetectable		 4z53A-5th6A:
16.17
4z53B-5th6A:
16.17
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		4 GLY A  35
ASP A  38
GLY A 240
ARG A 458
 None
None
None
ACT  A 506 (-4.3A)
 0.92A 4z53A-5v0tA:
undetectable
4z53B-5v0tA:
undetectable		 4z53A-5v0tA:
20.58
4z53B-5v0tA:
20.58
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 4 GLY A 101
ASP A 103
GLY A 106
SER A 228
 None
None
None
PMS  A 302 (-1.5A)
 1.02A 4z53A-5z6oA:
undetectable
4z53B-5z6oA:
undetectable		 4z53A-5z6oA:
7.24
4z53B-5z6oA:
7.24
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 4 GLY B 258
ASP B 255
GLY B 260
SER B 247
 None
 0.95A 4z53A-6btmB:
undetectable
4z53B-6btmB:
undetectable		 4z53A-6btmB:
8.53
4z53B-6btmB:
8.53
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-4

(Rattus
norvegicus) 		no annotation 4 GLY 7  99
ASP 7 100
GLY 7 157
SER 7 142
 None
 0.73A 4z53A-6epd7:
undetectable
4z53B-6epd7:
undetectable		 4z53A-6epd7:
7.91
4z53B-6epd7:
7.91
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii) 		no annotation 4 GLY B 192
ASP B 195
GLY B  78
ARG B  72
 None
 1.02A 4z53A-6fahB:
undetectable
4z53B-6fahB:
undetectable		 4z53A-6fahB:
7.28
4z53B-6fahB:
7.28
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.
6gne -

(-) 		no annotation 4 GLY A  42
ASP A  45
GLY A 415
SER A 501
 ADP  A 601 ( 3.2A)
ADP  A 601 (-3.4A)
ADP  A 601 ( 3.5A)
None
 0.85A 4z53A-6gneA:
2.4
4z53B-6gneA:
undetectable		 4z53A-6gneA:
undetectable
4z53B-6gneA:
undetectable