SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z53_H_TR6H101

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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		4 GLY A 138
GLY A 141
GLU A 143
SER A 197
 None
 0.89A 4z53A-1bxcA:
undetectable
4z53B-1bxcA:
undetectable		 4z53A-1bxcA:
19.84
4z53B-1bxcA:
19.84
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.
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
 0.84A 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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 GLY A 497
GLY A  22
GLU A   8
SER A 156
 None
LEU  A1002 (-3.8A)
None
None
 0.82A 4z53A-1dppA:
3.9
4z53B-1dppA:
4.0		 4z53A-1dppA:
21.85
4z53B-1dppA:
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 GLY A 473
ASP A 472
GLY A 470
GLU A 203
 None
 0.86A 4z53A-1ex0A:
undetectable
4z53B-1ex0A:
undetectable		 4z53A-1ex0A:
23.87
4z53B-1ex0A:
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.
1gq4 EZRIN-RADIXIN-MOESIN
BINDING
PHOSPHOPROTEIN-50

(Homo sapiens) 		PF00595
(PDZ) 		4 ARG A  80
GLY A  23
GLY A  25
GLU A  43
 None
 0.83A 4z53A-1gq4A:
undetectable
4z53B-1gq4A:
undetectable		 4z53A-1gq4A:
8.57
4z53B-1gq4A:
8.57
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 GLY 1  36
ASP 1  76
GLY 1  34
SER 1 278
 None
 0.89A 4z53A-1gt91:
undetectable
4z53B-1gt91:
undetectable		 4z53A-1gt91:
18.94
4z53B-1gt91:
18.94
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ARG A 236
GLY A 349
GLY A 324
GLU A 326
 None
 0.91A 4z53A-1pieA:
2.7
4z53B-1pieA:
undetectable		 4z53A-1pieA:
17.49
4z53B-1pieA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		4 GLY A 172
ASP A 170
GLY A 205
GLU A 368
 None
 0.81A 4z53A-1r6vA:
3.5
4z53B-1r6vA:
3.6		 4z53A-1r6vA:
22.33
4z53B-1r6vA:
22.33
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		4 GLY A  42
GLY A  44
GLU A  87
SER A 293
 None
 0.88A 4z53A-1to6A:
3.1
4z53B-1to6A:
2.6		 4z53A-1to6A:
19.52
4z53B-1to6A:
19.52
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLY A 404
ASP A 336
GLY A 311
GLU A 308
 None
 0.96A 4z53A-1uagA:
undetectable
4z53B-1uagA:
undetectable		 4z53A-1uagA:
21.64
4z53B-1uagA:
21.64
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		4 GLY A 193
ASP A 194
GLY A  68
GLU A  72
 None
 0.90A 4z53A-1v1pA:
undetectable
4z53B-1v1pA:
undetectable		 4z53A-1v1pA:
15.63
4z53B-1v1pA:
15.63
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 232
ASP A 231
GLY A 101
SER A 365
 None
 0.93A 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.
1wy1 HYPOTHETICAL PROTEIN
PH0671

(Pyrococcus
horikoshii) 		PF01923
(Cob_adeno_trans) 		4 ARG A 134
GLY A 137
GLY A 139
GLU A 141
 None
 0.91A 4z53A-1wy1A:
undetectable
4z53B-1wy1A:
undetectable		 4z53A-1wy1A:
13.80
4z53B-1wy1A:
13.80
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C) 		4 GLY A 131
ASP A 130
GLY A 108
GLU A 107
 None
 0.87A 4z53A-2agmA:
undetectable
4z53B-2agmA:
undetectable		 4z53A-2agmA:
13.81
4z53B-2agmA:
13.81
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.
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
 0.95A 4z53A-2d3lA:
undetectable
4z53B-2d3lA:
undetectable		 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.
2dvj V-CRK SARCOMA VIRUS
CT10 ONCOGENE
HOMOLOG, ISOFORM A

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		4 GLY A 126
GLY A 124
GLU A 149
SER A  52
 None
 0.92A 4z53A-2dvjA:
undetectable
4z53B-2dvjA:
undetectable		 4z53A-2dvjA:
16.79
4z53B-2dvjA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ARG A 733
GLY A 774
ASP A 776
GLY A 770
 None
 0.94A 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
 0.96A 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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		4 ASP A 100
GLY A 129
GLU A 147
SER A 235
 TRS  A 293 (-2.8A)
None
None
None
 0.69A 4z53A-2gupA:
undetectable
4z53B-2gupA:
undetectable		 4z53A-2gupA:
17.98
4z53B-2gupA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae) 		PF00481
(PP2C) 		4 GLY A 478
ASP A 479
GLU A  63
SER A 426
 None
 0.95A 4z53A-2i0oA:
undetectable
4z53B-2i0oA:
undetectable		 4z53A-2i0oA:
18.07
4z53B-2i0oA:
18.07
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		4 GLY A 108
ASP A 104
GLY A 144
GLU A 147
 None
 0.92A 4z53A-2ioyA:
2.1
4z53B-2ioyA:
2.4		 4z53A-2ioyA:
19.38
4z53B-2ioyA:
19.38
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		4 ARG A 147
GLY A 214
GLY A 153
SER A 104
 None
 0.80A 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 ARG B 581
GLY B 557
GLY B 571
SER B 714
 None
 0.92A 4z53A-2o8eB:
undetectable
4z53B-2o8eB:
2.7		 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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		4 GLY A  84
ASP A  83
GLY A  58
GLU A  78
 GLY  A  84 ( 0.0A)
ASP  A  83 ( 0.6A)
GLY  A  58 ( 0.0A)
GLU  A  78 ( 0.6A)
 0.94A 4z53A-2ogsA:
2.2
4z53B-2ogsA:
1.7		 4z53A-2ogsA:
21.16
4z53B-2ogsA:
21.16
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		4 GLY A 125
ASP A  37
GLY A  34
SER A  88
 None
 0.93A 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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 ARG A 351
ASP A 644
GLY A 600
GLU A 588
SER A 542
 None
CA  A 800 ( 2.8A)
None
None
None
 1.01A 4z53A-2wzsA:
undetectable
4z53B-2wzsA:
2.3		 4z53A-2wzsA:
21.58
4z53B-2wzsA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY A 396
ASP A 397
GLY A 419
GLU A 437
 None
 0.82A 4z53A-2xkkA:
48.4
4z53B-2xkkA:
48.4		 4z53A-2xkkA:
40.13
4z53B-2xkkA:
40.13
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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 ARG A 164
GLY A 138
ASP A 137
GLY A 134
 None
 0.81A 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
 0.76A 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
 0.90A 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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 GLY A  37
ASP A  38
GLY A  56
SER A 265
 None
 0.92A 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.
3bt3 GLYOXALASE-RELATED
ENZYME, ARAC TYPE

(Lachnoclostridium
phytofermentans) 		no annotation 4 GLY A 177
ASP A 178
GLY A 175
GLU A 174
 None
 0.86A 4z53A-3bt3A:
undetectable
4z53B-3bt3A:
undetectable		 4z53A-3bt3A:
10.97
4z53B-3bt3A:
10.97
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.
3db1 STS-2 PROTEIN

(Mus musculus) 		PF00300
(His_Phos_1) 		4 GLY A 544
ASP A 542
GLY A 360
GLU A 590
 None
 0.91A 4z53A-3db1A:
undetectable
4z53B-3db1A:
undetectable		 4z53A-3db1A:
15.66
4z53B-3db1A:
15.66
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.
3f83 FUSION OF THE MINOR
PILIN CFAE AND MAJOR
PILIN CFAB

(Escherichia
coli) 		PF04449
(Fimbrial_CS1)
PF07434
(CblD) 		4 GLY A 242
ASP A 241
GLY A 168
GLU A 106
 None
 0.90A 4z53A-3f83A:
undetectable
4z53B-3f83A:
undetectable		 4z53A-3f83A:
23.27
4z53B-3f83A:
23.27
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.
3fou QUINOL-CYTOCHROME C
REDUCTASE, RIESKE
IRON-SULFUR SUBUNIT

(Thermus
thermophilus) 		PF00355
(Rieske) 		4 GLY A  55
ASP A  56
GLY A 191
GLU A 192
 None
 0.91A 4z53A-3fouA:
undetectable
4z53B-3fouA:
undetectable		 4z53A-3fouA:
13.97
4z53B-3fouA:
13.97
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.
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
 0.71A 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.
3gxa OUTER MEMBRANE
LIPOPROTEIN GNA1946

(Neisseria
meningitidis) 		PF03180
(Lipoprotein_9) 		4 GLY A 214
GLY A 127
GLU A 231
SER A 203
 None
 0.92A 4z53A-3gxaA:
undetectable
4z53B-3gxaA:
undetectable		 4z53A-3gxaA:
19.03
4z53B-3gxaA:
19.03
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.
3ir1 OUTER MEMBRANE
LIPOPROTEIN GNA1946

(Neisseria
meningitidis) 		PF03180
(Lipoprotein_9) 		4 GLY A 214
GLY A 127
GLU A 231
SER A 203
 None
 0.89A 4z53A-3ir1A:
undetectable
4z53B-3ir1A:
undetectable		 4z53A-3ir1A:
16.60
4z53B-3ir1A:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		4 ARG B 285
ASP B 278
GLY B 281
GLU B 398
 None
 0.81A 4z53A-3it4B:
undetectable
4z53B-3it4B:
undetectable		 4z53A-3it4B:
15.66
4z53B-3it4B:
15.66
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.
3jtj 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Yersinia pestis) 		PF02348
(CTP_transf_3) 		4 GLY A 190
ASP A  90
GLU A  84
SER A   2
 None
 0.95A 4z53A-3jtjA:
undetectable
4z53B-3jtjA:
undetectable		 4z53A-3jtjA:
16.53
4z53B-3jtjA:
16.53
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.
3kbq PROTEIN TA0487

(Thermoplasma
acidophilum) 		PF00994
(MoCF_biosynth) 		4 GLY A  68
ASP A  75
GLY A 149
GLU A 153
 None
 0.93A 4z53A-3kbqA:
2.7
4z53B-3kbqA:
2.3		 4z53A-3kbqA:
13.70
4z53B-3kbqA:
13.70
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.
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
 0.84A 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.
3nuz PUTATIVE ACETYL
XYLAN ESTERASE

(Bacteroides
fragilis) 		PF12715
(Abhydrolase_7) 		4 GLY A 148
GLY A 152
GLU A 151
SER A 402
 None
 0.81A 4z53A-3nuzA:
undetectable
4z53B-3nuzA:
2.0		 4z53A-3nuzA:
19.30
4z53B-3nuzA:
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		4 ARG A 146
GLY A 214
GLY A 152
SER A 103
 None
 0.84A 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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		4 GLY A 214
ASP A 238
GLY A 364
GLU A 374
 SO4  A 404 (-3.8A)
None
SO4  A 404 (-3.8A)
None
 0.86A 4z53A-3os6A:
undetectable
4z53B-3os6A:
undetectable		 4z53A-3os6A:
21.16
4z53B-3os6A:
21.16
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		4 GLY A 117
ASP A 112
GLU A  44
SER A 310
 None
 0.91A 4z53A-3p2mA:
2.8
4z53B-3p2mA:
2.2		 4z53A-3p2mA:
18.70
4z53B-3p2mA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pa7 70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		4 GLY A  99
GLY A 104
GLU A 103
SER A  49
 None
 0.78A 4z53A-3pa7A:
undetectable
4z53B-3pa7A:
undetectable		 4z53A-3pa7A:
10.43
4z53B-3pa7A:
10.43
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLY A 104
ASP A 107
GLY A 102
SER A 121
 None
 0.93A 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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLY A 558
ASP A 559
GLY A 449
GLU A 446
 None
 0.97A 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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		4 GLY A 345
GLY A 374
GLU A 375
SER A 243
 None
 0.95A 4z53A-3riqA:
undetectable
4z53B-3riqA:
undetectable		 4z53A-3riqA:
20.91
4z53B-3riqA:
20.91
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		4 GLY A 194
ASP A 192
GLU A 164
SER A 227
 None
None
None
FB6  A 414 ( 4.3A)
 0.94A 4z53A-3sl1A:
2.5
4z53B-3sl1A:
2.3		 4z53A-3sl1A:
21.38
4z53B-3sl1A:
21.38
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.
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
 0.85A 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
 0.87A 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.
3up9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Actinomyces
odontolyticus) 		PF03180
(Lipoprotein_9) 		4 GLY A 207
GLY A 123
GLU A 225
SER A 196
 None
 0.83A 4z53A-3up9A:
undetectable
4z53B-3up9A:
undetectable		 4z53A-3up9A:
16.53
4z53B-3up9A:
16.53
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A 110
GLY A 152
GLU A 150
SER A  66
 None
 0.84A 4z53A-3vteA:
3.6
4z53B-3vteA:
3.3		 4z53A-3vteA:
22.51
4z53B-3vteA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.86A 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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 GLY A 404
GLY A 428
GLU A 452
SER A 360
 None
 0.92A 4z53A-4a2lA:
undetectable
4z53B-4a2lA:
undetectable		 4z53A-4a2lA:
23.32
4z53B-4a2lA:
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.
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
 0.87A 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.
4csb VIRULENCE ASSOCIATED
PROTEIN VAPD

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 GLY A  59
ASP A  60
GLY A 132
GLU A 134
 None
BOG  A1135 (-4.4A)
None
None
 0.88A 4z53A-4csbA:
undetectable
4z53B-4csbA:
undetectable		 4z53A-4csbA:
10.65
4z53B-4csbA:
10.65
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		4 GLY A  69
ASP A  76
GLY A 152
GLU A 156
 ATP  A 400 (-3.6A)
ATP  A 400 (-3.7A)
ATP  A 400 (-3.4A)
ATP  A 400 (-3.1A)
 0.91A 4z53A-4ctaA:
3.4
4z53B-4ctaA:
3.4		 4z53A-4ctaA:
21.29
4z53B-4ctaA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 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.
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
 0.86A 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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		4 ARG A 152
GLY A 219
GLY A 158
SER A 109
 None
 0.91A 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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		4 GLY A 294
ASP A 277
GLY A 274
GLU A 230
 None
 0.82A 4z53A-4kq7A:
undetectable
4z53B-4kq7A:
undetectable		 4z53A-4kq7A:
19.70
4z53B-4kq7A:
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.
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
 0.75A 4z53A-4nd4A:
2.4
4z53B-4nd4A:
1.8		 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
 0.96A 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
 0.84A 4z53A-4op4A:
2.7
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.
4qvj VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ARG A 520
ASP A 517
GLY A 548
GLU A 235
 None
 0.89A 4z53A-4qvjA:
undetectable
4z53B-4qvjA:
undetectable		 4z53A-4qvjA:
18.47
4z53B-4qvjA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxz PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Geobacillus
kaustophilus) 		PF01680
(SOR_SNZ) 		4 ARG A 147
GLY A 214
GLY A 153
SER A 104
 None
L5P  A  81 ( 3.7A)
L5P  A  81 ( 3.8A)
L5P  A  81 ( 3.8A)
 0.81A 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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		4 GLY A  38
ASP A  13
GLU A 140
SER A 282
 None
 0.88A 4z53A-4x8fA:
undetectable
4z53B-4x8fA:
undetectable		 4z53A-4x8fA:
19.16
4z53B-4x8fA:
19.16
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.
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
 0.80A 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.
4z2e DNA GYRASE SUBUNIT B

(Streptococcus
pneumoniae) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY C 434
ASP C 435
GLY C 457
GLU C 475
 None
 0.74A 4z53A-4z2eC:
25.6
4z53B-4z2eC:
25.3		 4z53A-4z2eC:
19.86
4z53B-4z2eC:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY A 434
ASP A 435
GLY A 457
GLU A 475
 None
 0.43A 4z53A-4z3oA:
58.6
4z53B-4z3oA:
57.9		 4z53A-4z3oA:
100.00
4z53B-4z3oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z3o DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY A 434
GLY A 457
GLU A 475
SER A1080
 None
 0.72A 4z53A-4z3oA:
58.6
4z53B-4z3oA:
57.9		 4z53A-4z3oA:
100.00
4z53B-4z3oA:
100.00
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.
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
 0.91A 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.
5cdo DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B

(Staphylococcus
aureus) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 GLY B 436
ASP B 437
GLY B 459
GLU B 477
 None
 0.50A 4z53A-5cdoB:
28.0
4z53B-5cdoB:
27.7		 4z53A-5cdoB:
28.94
4z53B-5cdoB:
28.94
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		4 ARG A 173
GLY A 192
ASP A 194
GLY A  31
 MG  A 302 (-4.1A)
None
None
None
 0.96A 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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 GLY A 525
GLY A  50
GLU A  36
SER A 184
 GLN  A 608 (-3.8A)
GLN  A 608 ( 3.2A)
None
None
 0.77A 4z53A-5f1qA:
3.5
4z53B-5f1qA:
3.2		 4z53A-5f1qA:
23.47
4z53B-5f1qA:
23.47
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 221
GLY A 332
GLU A 334
SER A 390
 FRU  A3001 ( 2.7A)
None
GLC  A3002 ( 3.0A)
None
 0.92A 4z53A-5fkcA:
undetectable
4z53B-5fkcA:
undetectable		 4z53A-5fkcA:
23.48
4z53B-5fkcA:
23.48
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
 0.95A 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
 0.74A 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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 GLY A 478
ASP A 479
GLY A 504
GLU A 522
 N2W  A1302 ( 3.0A)
N2W  A1302 ( 3.4A)
N2W  A1302 ( 4.4A)
None
 0.82A 4z53A-5gwjA:
31.1
4z53B-5gwjA:
31.3		 4z53A-5gwjA:
28.42
4z53B-5gwjA:
28.42
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 GLY A  34
GLY A  16
GLU A  14
SER A 153
 None
None
None
A  C   1 ( 4.6A)
 0.96A 4z53A-5habA:
undetectable
4z53B-5habA:
undetectable		 4z53A-5habA:
22.50
4z53B-5habA:
22.50
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		4 ARG A 387
GLY A 298
GLY A 277
SER A 270
 None
 0.95A 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.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 ARG A 163
GLY A 230
GLY A 169
SER A 120
 6R3  A 404 (-3.8A)
SO4  A 403 (-3.4A)
SO4  A 403 (-3.6A)
6R3  A 404 (-3.1A)
 0.79A 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
 0.81A 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.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ARG A  86
GLY A  38
GLY A  36
GLU A 267
SER A 222
 EDO  A 302 (-4.3A)
None
None
None
EDO  A 302 (-3.0A)
 1.38A 4z53A-5ko5A:
undetectable
4z53B-5ko5A:
undetectable		 4z53A-5ko5A:
17.69
4z53B-5ko5A:
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.
5lnt PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.1

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		4 ARG A 164
GLY A 231
GLY A 170
SER A 121
 KPR  A 401 (-4.0A)
KPR  A 401 (-3.6A)
KPR  A 401 (-3.9A)
KPR  A 401 (-3.2A)
 0.82A 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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 ARG A 246
ASP A 389
GLY A 531
GLU A 529
 None
 0.93A 4z53A-5m60A:
undetectable
4z53B-5m60A:
undetectable		 4z53A-5m60A:
21.87
4z53B-5m60A:
21.87
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ARG A 168
GLY A 235
ASP A 234
GLY A 229
SER A 185
 None
 1.22A 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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 ASP B 303
GLY B 287
GLU B 286
SER B 333
 None
 0.91A 4z53A-5oetB:
undetectable
4z53B-5oetB:
undetectable		 4z53A-5oetB:
7.23
4z53B-5oetB:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 ARG A 106
GLY A 112
ASP A 113
GLY A 195
 None
 0.92A 4z53A-5th6A:
undetectable
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.
5uj0 POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		no annotation 4 ARG A 213
GLY A 177
ASP A 180
GLY A 175
 None
 0.97A 4z53A-5uj0A:
undetectable
4z53B-5uj0A:
undetectable		 4z53A-5uj0A:
13.85
4z53B-5uj0A:
13.85
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 GLY B 117
ASP B 119
GLY B 115
GLU B   7
 None
 0.84A 4z53A-5uz9B:
2.0
4z53B-5uz9B:
2.0		 4z53A-5uz9B:
19.40
4z53B-5uz9B:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		4 ARG A 458
GLY A  35
ASP A  38
GLY A 240
 ACT  A 506 (-4.3A)
None
None
None
 0.87A 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.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 4 GLY B 182
ASP B 181
GLY B 103
GLU B 105
 None
 0.93A 4z53A-5vrfB:
undetectable
4z53B-5vrfB:
undetectable		 4z53A-5vrfB:
7.90
4z53B-5vrfB:
7.90
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 4 GLY A 146
ASP A 147
GLU A 113
SER A 326
 None
None
None
42Y  A 118 ( 3.7A)
 0.74A 4z53A-5wgcA:
undetectable
4z53B-5wgcA:
undetectable		 4z53A-5wgcA:
7.21
4z53B-5wgcA:
7.21
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ASP A 194
GLY A 294
GLU A 296
SER A 367
 None
 0.90A 4z53A-5xh9A:
undetectable
4z53B-5xh9A:
undetectable		 4z53A-5xh9A:
22.77
4z53B-5xh9A:
22.77
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-4

(Rattus
norvegicus) 		no annotation 4 GLY 7  99
ASP 7 100
GLY 7 157
SER 7 142
 None
 0.65A 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.
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
 0.89A 4z53A-6gneA:
2.4
4z53B-6gneA:
undetectable		 4z53A-6gneA:
undetectable
4z53B-6gneA:
undetectable