SIMILAR PATTERNS OF AMINO ACIDS FOR 5DZK_R_BEZR801_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a4e CATALASE A

(Saccharomyces
cerevisiae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A  92
ALA A  93
PRO A 338
LEU A 138
 None
 1.11A 5dzkD-1a4eA:
undetectable
5dzkR-1a4eA:
undetectable		 5dzkD-1a4eA:
16.19
5dzkR-1a4eA:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a7j PHOSPHORIBULOKINASE

(Rhodobacter
sphaeroides) 		PF00485
(PRK) 		4 SER A 229
ALA A 226
PRO A 264
LEU A 268
 None
 1.12A 5dzkD-1a7jA:
undetectable
5dzkR-1a7jA:
undetectable		 5dzkD-1a7jA:
21.77
5dzkR-1a7jA:
1.56
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.
1dcn DELTA 2 CRYSTALLIN

(Anas
platyrhynchos) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 PHE A 432
ALA A 365
PRO A 168
LEU A 157
 None
 1.10A 5dzkD-1dcnA:
undetectable
5dzkR-1dcnA:
undetectable		 5dzkD-1dcnA:
19.09
5dzkR-1dcnA:
1.65
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.
1e5w MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 SER A 127
ALA A 126
HIS A 179
LEU A 124
 None
 1.14A 5dzkD-1e5wA:
undetectable
5dzkR-1e5wA:
undetectable		 5dzkD-1e5wA:
21.01
5dzkR-1e5wA:
2.60
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.
1eco ERYTHROCRUORIN
(CARBONMONOXY)

(Chironomus
thummi) 		PF00042
(Globin) 		4 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.96A 5dzkD-1ecoA:
undetectable
5dzkR-1ecoA:
undetectable		 5dzkD-1ecoA:
22.12
5dzkR-1ecoA:
4.35
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.
1g71 DNA PRIMASE

(Pyrococcus
furiosus) 		PF01896
(DNA_primase_S) 		4 PHE A 173
SER A 177
ALA A 176
LEU A 171
 None
 1.04A 5dzkD-1g71A:
undetectable
5dzkR-1g71A:
undetectable		 5dzkD-1g71A:
19.54
5dzkR-1g71A:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gc7 RADIXIN

(Mus musculus) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 SER A 127
ALA A 126
HIS A 179
LEU A 124
 SER  A 127 ( 0.0A)
ALA  A 126 ( 0.0A)
HIS  A 179 ( 1.0A)
LEU  A 124 ( 0.6A)
 1.08A 5dzkD-1gc7A:
undetectable
5dzkR-1gc7A:
undetectable		 5dzkD-1gc7A:
19.68
5dzkR-1gc7A:
1.60
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 SER A 174
ALA A 175
HIS A 286
PRO A 178
 None
 1.08A 5dzkD-1gzvA:
0.4
5dzkR-1gzvA:
undetectable		 5dzkD-1gzvA:
16.52
5dzkR-1gzvA:
3.85
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 PHE A 150
SER A 107
ALA A 110
PRO A 142
 None
 0.93A 5dzkD-1hjvA:
3.3
5dzkR-1hjvA:
undetectable		 5dzkD-1hjvA:
21.21
5dzkR-1hjvA:
2.74
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.
1jzn GALACTOSE-SPECIFIC
LECTIN

(Crotalus atrox) 		PF00059
(Lectin_C) 		4 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.02A 5dzkD-1jznA:
undetectable
5dzkR-1jznA:
undetectable		 5dzkD-1jznA:
18.02
5dzkR-1jznA:
15.38
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.
1k68 PHYTOCHROME RESPONSE
REGULATOR RCPA

(Tolypothrix sp.
PCC 7601) 		PF00072
(Response_reg) 		4 PHE A  14
SER A  62
ALA A  61
PRO A  64
 None
 1.12A 5dzkD-1k68A:
undetectable
5dzkR-1k68A:
undetectable		 5dzkD-1k68A:
21.74
5dzkR-1k68A:
3.28
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		4 PHE A 214
SER A 143
ALA A 146
PRO A 194
 None
 1.01A 5dzkD-1kfwA:
2.1
5dzkR-1kfwA:
undetectable		 5dzkD-1kfwA:
18.47
5dzkR-1kfwA:
6.67
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.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 PHE A 305
SER A 310
HIS A 311
LEU A 307
 None
 1.06A 5dzkD-1muuA:
2.9
5dzkR-1muuA:
undetectable		 5dzkD-1muuA:
18.88
5dzkR-1muuA:
3.64
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.
1q90 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Chlamydomonas
reinhardtii;
Chlamydomonas
reinhardtii) 		PF00033
(Cytochrome_B)
PF00032
(Cytochrom_B_C) 		4 SER B  68
ALA B  67
PRO B 139
MET D  62
 None
None
HEM  B 902 (-4.3A)
None
 1.13A 5dzkD-1q90B:
undetectable
5dzkR-1q90B:
undetectable		 5dzkD-1q90B:
20.83
5dzkR-1q90B:
0.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v33 DNA PRIMASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF01896
(DNA_primase_S) 		4 PHE A 173
SER A 177
ALA A 176
LEU A 171
 None
 1.12A 5dzkD-1v33A:
undetectable
5dzkR-1v33A:
undetectable		 5dzkD-1v33A:
20.44
5dzkR-1v33A:
8.70
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 PHE A 424
HIS A 252
MET A 333
LEU A 420
 None
 0.99A 5dzkD-1v5cA:
undetectable
5dzkR-1v5cA:
undetectable		 5dzkD-1v5cA:
21.26
5dzkR-1v5cA:
1.38
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		4 PHE A 350
SER A 356
ALA A 355
LEU A 352
 None
 0.93A 5dzkD-1w25A:
undetectable
5dzkR-1w25A:
undetectable		 5dzkD-1w25A:
18.14
5dzkR-1w25A:
11.76
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 SER A 268
ALA A 266
HIS A 536
MET A 570
 None
 1.07A 5dzkD-1we5A:
undetectable
5dzkR-1we5A:
undetectable		 5dzkD-1we5A:
13.64
5dzkR-1we5A:
0.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 PHE A 139
SER A 262
HIS A 258
LEU A 137
 None
 0.86A 5dzkD-1x8vA:
undetectable
5dzkR-1x8vA:
undetectable		 5dzkD-1x8vA:
17.98
5dzkR-1x8vA:
3.77
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.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		4 PHE A 213
SER A 219
ALA A 218
HIS A 220
 None
 0.94A 5dzkD-1xkqA:
undetectable
5dzkR-1xkqA:
undetectable		 5dzkD-1xkqA:
22.41
5dzkR-1xkqA:
1.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xsa BIS(5'-NUCLEOSYL)-TE
TRAPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		4 ALA A 127
PRO A  45
MET A 136
LEU A  32
 None
 1.07A 5dzkD-1xsaA:
undetectable
5dzkR-1xsaA:
undetectable		 5dzkD-1xsaA:
21.00
5dzkR-1xsaA:
6.06
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.
1yw4 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Chromobacterium
violaceum) 		PF04952
(AstE_AspA) 		4 PHE A 211
ALA A 161
HIS A 191
PRO A 164
 None
 1.12A 5dzkD-1yw4A:
undetectable
5dzkR-1yw4A:
undetectable		 5dzkD-1yw4A:
23.10
5dzkR-1yw4A:
3.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 PHE A 477
ALA A 439
PRO A 480
LEU A 475
 None
 1.15A 5dzkD-2cfzA:
undetectable
5dzkR-2cfzA:
undetectable		 5dzkD-2cfzA:
15.73
5dzkR-2cfzA:
40.00
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.
2ebb PTERIN-4-ALPHA-CARBI
NOLAMINE DEHYDRATASE

(Geobacillus
kaustophilus) 		PF01329
(Pterin_4a) 		4 SER A  73
ALA A  76
HIS A  56
LEU A  79
 None
 1.14A 5dzkD-2ebbA:
undetectable
5dzkR-2ebbA:
undetectable		 5dzkD-2ebbA:
18.22
5dzkR-2ebbA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0q SUPPRESSOR OF T-CELL
RECEPTOR SIGNALING 1

(Mus musculus) 		PF00300
(His_Phos_1) 		4 PHE A 599
ALA A 444
PRO A 617
LEU A 619
 None
 0.94A 5dzkD-2h0qA:
undetectable
5dzkR-2h0qA:
undetectable		 5dzkD-2h0qA:
19.23
5dzkR-2h0qA:
2.70
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		4 PHE A  78
SER A  80
ALA A  79
LEU A  76
 None
 1.16A 5dzkD-2hnkA:
undetectable
5dzkR-2hnkA:
undetectable		 5dzkD-2hnkA:
22.44
5dzkR-2hnkA:
1.17
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.
2jg2 SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
paucimobilis) 		PF00155
(Aminotran_1_2) 		4 SER A 296
ALA A 295
HIS A 112
PRO A 298
 None
 0.94A 5dzkD-2jg2A:
undetectable
5dzkR-2jg2A:
undetectable		 5dzkD-2jg2A:
20.19
5dzkR-2jg2A:
8.00
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.
2q5e CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 2

(Homo sapiens) 		PF03031
(NIF) 		4 PHE A 162
SER A 165
ALA A 164
LEU A 108
 None
 0.98A 5dzkD-2q5eA:
undetectable
5dzkR-2q5eA:
undetectable		 5dzkD-2q5eA:
21.74
5dzkR-2q5eA:
3.03
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 233
ALA A 259
PRO A 257
LEU A 235
 None
 1.11A 5dzkD-2qjjA:
undetectable
5dzkR-2qjjA:
undetectable		 5dzkD-2qjjA:
20.40
5dzkR-2qjjA:
1.83
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.
2qq4 IRON-SULFUR CLUSTER
BIOSYNTHESIS PROTEIN
ISCU

(Thermus
thermophilus) 		PF01592
(NifU_N) 		4 PHE A  22
ALA A  71
HIS A  15
PRO A  19
 None
 1.04A 5dzkD-2qq4A:
undetectable
5dzkR-2qq4A:
undetectable		 5dzkD-2qq4A:
22.22
5dzkR-2qq4A:
15.38
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		4 SER A 287
ALA A 286
PRO A 258
LEU A 264
 None
 1.02A 5dzkD-2vc2A:
undetectable
5dzkR-2vc2A:
undetectable		 5dzkD-2vc2A:
19.17
5dzkR-2vc2A:
2.90
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 PHE A 476
ALA A 556
PRO A 541
LEU A 539
 None
 1.12A 5dzkD-2vycA:
undetectable
5dzkR-2vycA:
undetectable		 5dzkD-2vycA:
14.97
5dzkR-2vycA:
2.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		4 SER A 276
ALA A 275
HIS A  92
PRO A 278
 None
 0.91A 5dzkD-2x8uA:
undetectable
5dzkR-2x8uA:
undetectable		 5dzkD-2x8uA:
19.04
5dzkR-2x8uA:
50.00
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.
2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL

(Escherichia
coli) 		PF16358
(RcsF) 		4 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkD-2y1bA:
undetectable
5dzkR-2y1bA:
undetectable		 5dzkD-2y1bA:
20.72
5dzkR-2y1bA:
2.17
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 PHE A 148
SER A  46
MET A 145
LEU A 149
 None
 1.11A 5dzkD-3clwA:
2.0
5dzkR-3clwA:
undetectable		 5dzkD-3clwA:
18.55
5dzkR-3clwA:
4.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4d ESTERASE D

(Agrobacterium
fabrum) 		PF00756
(Esterase) 		4 PHE A 215
ALA A 169
HIS A 272
LEU A 216
 None
 1.15A 5dzkD-3e4dA:
undetectable
5dzkR-3e4dA:
undetectable		 5dzkD-3e4dA:
23.32
5dzkR-3e4dA:
0.36
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.
3es5 PUTATIVE CAPSID
PROTEIN

(Penicillium
stoloniferum
virus F) 		no annotation 4 SER A 360
ALA A 365
PRO A 384
LEU A 381
 None
 1.13A 5dzkD-3es5A:
undetectable
5dzkR-3es5A:
undetectable		 5dzkD-3es5A:
19.14
5dzkR-3es5A:
0.66
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 ALA A  97
PRO A  95
MET A 166
LEU A  67
 None
 0.87A 5dzkD-3f5dA:
undetectable
5dzkR-3f5dA:
undetectable		 5dzkD-3f5dA:
20.59
5dzkR-3f5dA:
2.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 SER A 175
ALA A 176
PRO A 173
LEU A 167
 None
 1.10A 5dzkD-3g1uA:
1.2
5dzkR-3g1uA:
undetectable		 5dzkD-3g1uA:
18.31
5dzkR-3g1uA:
0.59
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.
3gg6 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 18

(Homo sapiens) 		PF00293
(NUDIX) 		4 PHE A 120
ALA A  48
PRO A 102
LEU A 121
 None
 1.12A 5dzkD-3gg6A:
undetectable
5dzkR-3gg6A:
undetectable		 5dzkD-3gg6A:
19.16
5dzkR-3gg6A:
5.56
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 PHE A 367
SER A 269
ALA A 295
LEU A 369
 None
 1.08A 5dzkD-3goaA:
undetectable
5dzkR-3goaA:
undetectable		 5dzkD-3goaA:
20.89
5dzkR-3goaA:
5.13
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.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		4 PHE A  63
SER A 274
ALA A 246
HIS A 276
 None
LLP  A 277 ( 2.8A)
LLP  A 277 ( 3.3A)
LLP  A 277 ( 3.8A)
 1.15A 5dzkD-3hbxA:
undetectable
5dzkR-3hbxA:
undetectable		 5dzkD-3hbxA:
16.44
5dzkR-3hbxA:
0.89
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.
3i47 ENOYL COA
HYDRATASE/ISOMERASE
(CROTONASE)

(Legionella
pneumophila) 		PF00378
(ECH_1) 		4 PHE A 192
SER A 198
ALA A 197
LEU A 194
 None
 1.12A 5dzkD-3i47A:
14.5
5dzkR-3i47A:
undetectable		 5dzkD-3i47A:
23.44
5dzkR-3i47A:
28.57
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.
3i9u HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 PHE A  47
SER A  53
ALA A  52
LEU A  49
 None
 1.08A 5dzkD-3i9uA:
undetectable
5dzkR-3i9uA:
undetectable		 5dzkD-3i9uA:
26.20
5dzkR-3i9uA:
0.76
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.
3iv7 ALCOHOL
DEHYDROGENASE IV

(Corynebacterium
glutamicum) 		PF00465
(Fe-ADH) 		4 SER A 234
ALA A 235
HIS A   9
LEU A 193
 None
 1.02A 5dzkD-3iv7A:
undetectable
5dzkR-3iv7A:
undetectable		 5dzkD-3iv7A:
21.41
5dzkR-3iv7A:
2.17
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.
3pgl CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1

(Homo sapiens) 		PF03031
(NIF) 		4 PHE A 151
SER A 154
ALA A 153
LEU A  97
 None
RZX  A 257 ( 3.8A)
RZX  A 257 ( 4.9A)
None
 1.10A 5dzkD-3pglA:
undetectable
5dzkR-3pglA:
undetectable		 5dzkD-3pglA:
21.93
5dzkR-3pglA:
2.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 PHE A 220
SER A 218
HIS A 170
LEU A 211
 None
5GP  A 303 ( 4.3A)
MN  A 301 ( 3.4A)
None
 1.11A 5dzkD-3py6A:
undetectable
5dzkR-3py6A:
undetectable		 5dzkD-3py6A:
23.96
5dzkR-3py6A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 PHE A 173
SER A 120
ALA A 123
PRO A 155
 None
 1.06A 5dzkD-3qokA:
2.8
5dzkR-3qokA:
undetectable		 5dzkD-3qokA:
19.15
5dzkR-3qokA:
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 SER A 340
ALA A 341
PRO A 348
LEU A 368
 None
EDO  A 906 ( 4.7A)
None
None
 1.12A 5dzkD-3s1sA:
undetectable
5dzkR-3s1sA:
undetectable		 5dzkD-3s1sA:
13.67
5dzkR-3s1sA:
2.74
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 246
ALA A 272
PRO A 270
LEU A 248
 None
 1.07A 5dzkD-3t6cA:
undetectable
5dzkR-3t6cA:
undetectable		 5dzkD-3t6cA:
19.32
5dzkR-3t6cA:
1.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 PHE A  92
SER A  72
ALA A  69
LEU A 792
 None
 1.09A 5dzkD-3tlmA:
undetectable
5dzkR-3tlmA:
undetectable		 5dzkD-3tlmA:
12.23
5dzkR-3tlmA:
3.28
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.
3tpf ORNITHINE
CARBAMOYLTRANSFERASE

(Campylobacter
jejuni) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 SER A 111
ALA A 108
PRO A 114
MET A   1
 None
 1.10A 5dzkD-3tpfA:
undetectable
5dzkR-3tpfA:
undetectable		 5dzkD-3tpfA:
21.15
5dzkR-3tpfA:
5.88
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.
3trc PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Coxiella
burnetii) 		PF01590
(GAF) 		4 SER A 134
ALA A  90
HIS A 110
LEU A  94
 None
 1.11A 5dzkD-3trcA:
undetectable
5dzkR-3trcA:
undetectable		 5dzkD-3trcA:
23.89
5dzkR-3trcA:
1.17
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 PHE A  45
ALA A  41
HIS A  95
PRO A  94
LEU A  92
 None
 1.38A 5dzkD-3u4gA:
2.1
5dzkR-3u4gA:
undetectable		 5dzkD-3u4gA:
21.36
5dzkR-3u4gA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v5n OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 SER A 318
ALA A 317
PRO A 151
LEU A 298
 None
 1.11A 5dzkD-3v5nA:
undetectable
5dzkR-3v5nA:
undetectable		 5dzkD-3v5nA:
19.61
5dzkR-3v5nA:
0.60
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 234
ALA A 260
PRO A 258
LEU A 236
 None
 1.12A 5dzkD-3vcnA:
undetectable
5dzkR-3vcnA:
undetectable		 5dzkD-3vcnA:
20.09
5dzkR-3vcnA:
1.52
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.
3wdn GLYCINE CLEAVAGE
SYSTEM H PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF01597
(GCV_H) 		4 PHE A  52
SER A  38
ALA A  54
PRO A  40
 None
 0.93A 5dzkD-3wdnA:
undetectable
5dzkR-3wdnA:
undetectable		 5dzkD-3wdnA:
21.40
5dzkR-3wdnA:
5.13
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 PHE A 275
SER A 222
ALA A 225
PRO A 258
 None
 1.14A 5dzkD-4a5qA:
2.3
5dzkR-4a5qA:
undetectable		 5dzkD-4a5qA:
17.53
5dzkR-4a5qA:
1.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		4 PHE A 302
SER A 308
ALA A 307
LEU A 304
 None
 0.93A 5dzkD-4bqiA:
undetectable
5dzkR-4bqiA:
undetectable		 5dzkD-4bqiA:
14.15
5dzkR-4bqiA:
12.50
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 SER A 287
ALA A 286
PRO A 258
LEU A 264
 NAG  B3320 ( 4.5A)
None
None
NAG  B3320 ( 3.1A)
 0.99A 5dzkD-4cakA:
undetectable
5dzkR-4cakA:
undetectable		 5dzkD-4cakA:
12.32
5dzkR-4cakA:
2.90
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.
4euo ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (POLYAMINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		4 SER A 213
ALA A 212
PRO A 217
LEU A 210
 None
 1.10A 5dzkD-4euoA:
undetectable
5dzkR-4euoA:
undetectable		 5dzkD-4euoA:
25.31
5dzkR-4euoA:
2.74
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.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		4 SER A 210
HIS A 196
PRO A 195
LEU A 191
 None
 1.16A 5dzkD-4f0dA:
undetectable
5dzkR-4f0dA:
undetectable		 5dzkD-4f0dA:
19.23
5dzkR-4f0dA:
0.99
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		4 PHE A 157
ALA A 182
HIS A 142
PRO A 155
 None
 1.01A 5dzkD-4f0qA:
undetectable
5dzkR-4f0qA:
undetectable		 5dzkD-4f0qA:
18.64
5dzkR-4f0qA:
0.44
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 234
ALA A 260
PRO A 258
LEU A 236
 None
None
GOL  A 504 (-4.4A)
None
 1.11A 5dzkD-4fi4A:
undetectable
5dzkR-4fi4A:
undetectable		 5dzkD-4fi4A:
21.09
5dzkR-4fi4A:
1.52
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.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		5 PHE B 281
SER B 263
ALA B 262
HIS B 244
LEU B 273
 None
 1.21A 5dzkD-4g56B:
undetectable
5dzkR-4g56B:
undetectable		 5dzkD-4g56B:
21.88
5dzkR-4g56B:
3.51
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.
4gbm CURM
SULFOTRANSFERASE

(Moorea
producens) 		PF13469
(Sulfotransfer_3) 		4 SER A  57
ALA A  50
PRO A  59
MET A 253
 None
 1.12A 5dzkD-4gbmA:
undetectable
5dzkR-4gbmA:
undetectable		 5dzkD-4gbmA:
20.99
5dzkR-4gbmA:
4.17
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.
4h17 HYDROLASE,
ISOCHORISMATASE
FAMILY

(Pseudomonas
putida) 		PF00857
(Isochorismatase) 		4 SER A 157
ALA A 156
HIS A 175
LEU A 152
 None
None
EDO  A 206 ( 4.1A)
None
 1.11A 5dzkD-4h17A:
undetectable
5dzkR-4h17A:
undetectable		 5dzkD-4h17A:
24.27
5dzkR-4h17A:
3.57
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 PHE A 535
ALA A 490
PRO A 493
LEU A 533
 None
 1.03A 5dzkD-4ifqA:
undetectable
5dzkR-4ifqA:
undetectable		 5dzkD-4ifqA:
12.20
5dzkR-4ifqA:
1.06
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 236
ALA A 262
PRO A 260
LEU A 238
 None
 1.14A 5dzkD-4kwsA:
2.0
5dzkR-4kwsA:
undetectable		 5dzkD-4kwsA:
19.95
5dzkR-4kwsA:
1.80
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		4 ALA A 281
HIS A  14
PRO A 279
LEU A 250
 None
 1.00A 5dzkD-4lx4A:
2.6
5dzkR-4lx4A:
undetectable		 5dzkD-4lx4A:
22.12
5dzkR-4lx4A:
2.50
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		4 PHE A 187
SER A 199
ALA A 198
LEU A 196
 None
 1.13A 5dzkD-4lz6A:
undetectable
5dzkR-4lz6A:
undetectable		 5dzkD-4lz6A:
18.22
5dzkR-4lz6A:
11.76
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.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		4 PHE A  47
SER A  53
ALA A  52
LEU A  49
 None
 1.06A 5dzkD-4mecA:
undetectable
5dzkR-4mecA:
undetectable		 5dzkD-4mecA:
25.29
5dzkR-4mecA:
1.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		4 PHE A 173
SER A 120
ALA A 123
PRO A 155
 None
 0.95A 5dzkD-4q22A:
undetectable
5dzkR-4q22A:
undetectable		 5dzkD-4q22A:
20.51
5dzkR-4q22A:
2.56
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		4 ALA A 126
PRO A  33
MET A  99
LEU A 117
 None
 1.02A 5dzkD-4rl1A:
undetectable
5dzkR-4rl1A:
undetectable		 5dzkD-4rl1A:
21.51
5dzkR-4rl1A:
2.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		6 PHE A  83
SER A 110
ALA A 111
HIS A 135
PRO A 137
MET A 164
 ZIL  A 301 (-4.5A)
ZIL  A 301 ( 4.0A)
ZIL  A 301 ( 4.0A)
ZIL  A 301 (-3.7A)
ZIL  A 301 (-3.8A)
ZIL  A 301 ( 2.9A)
 0.47A 5dzkD-4u0gA:
27.4
5dzkR-4u0gA:
undetectable		 5dzkD-4u0gA:
100.00
5dzkR-4u0gA:
1.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 692
ALA A 691
MET A 746
LEU A 688
 None
 0.88A 5dzkD-4uvjA:
undetectable
5dzkR-4uvjA:
undetectable		 5dzkD-4uvjA:
20.15
5dzkR-4uvjA:
12.50
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.
4w79 PROTEIN N-TERMINAL
GLUTAMINE
AMIDOHYDROLASE

(Homo sapiens) 		PF09764
(Nt_Gln_amidase) 		4 PHE A  94
SER A  15
ALA A  14
PRO A 105
 None
 0.97A 5dzkD-4w79A:
undetectable
5dzkR-4w79A:
undetectable		 5dzkD-4w79A:
19.91
5dzkR-4w79A:
2.35
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		4 PHE A1573
ALA A1844
HIS A1848
LEU A1571
 None
 1.14A 5dzkD-4w82A:
undetectable
5dzkR-4w82A:
undetectable		 5dzkD-4w82A:
21.56
5dzkR-4w82A:
2.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		4 SER A  48
ALA A  76
HIS A  18
LEU A  71
 None
None
SAH  A 301 (-4.4A)
None
 1.04A 5dzkD-5bp7A:
undetectable
5dzkR-5bp7A:
undetectable		 5dzkD-5bp7A:
22.14
5dzkR-5bp7A:
1.34
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 4 SER A 232
ALA A 261
HIS A 231
LEU A 352
 None
 0.83A 5dzkD-5d8mA:
undetectable
5dzkR-5d8mA:
undetectable		 5dzkD-5d8mA:
22.62
5dzkR-5d8mA:
2.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		4 SER A  47
ALA A  75
HIS A  17
LEU A  70
 None
None
SAH  A 301 (-4.5A)
None
 1.03A 5dzkD-5epeA:
undetectable
5dzkR-5epeA:
undetectable		 5dzkD-5epeA:
23.13
5dzkR-5epeA:
1.59
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 SER A  57
ALA A  85
HIS A  68
LEU A 216
 None
 1.11A 5dzkD-5epgA:
2.0
5dzkR-5epgA:
undetectable		 5dzkD-5epgA:
10.35
5dzkR-5epgA:
25.00
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		4 PHE A 171
SER A 122
ALA A 125
LEU A 169
 MPG  A 617 ( 4.5A)
None
None
5TR  A 681 ( 4.3A)
 1.15A 5dzkD-5f15A:
undetectable
5dzkR-5f15A:
undetectable		 5dzkD-5f15A:
16.67
5dzkR-5f15A:
1.67
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE B 711
SER B 658
ALA B 661
PRO B 693
 None
 0.98A 5dzkD-5gztB:
1.9
5dzkR-5gztB:
undetectable		 5dzkD-5gztB:
11.94
5dzkR-5gztB:
3.28
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE B1197
SER B1144
ALA B1147
PRO B1179
 None
FMT  B4007 (-4.8A)
None
None
 0.94A 5dzkD-5gztB:
1.9
5dzkR-5gztB:
undetectable		 5dzkD-5gztB:
11.94
5dzkR-5gztB:
3.28
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE A 711
SER A 658
ALA A 661
PRO A 693
 None
 0.93A 5dzkD-5gzuA:
3.6
5dzkR-5gzuA:
undetectable		 5dzkD-5gzuA:
13.90
5dzkR-5gzuA:
1.10
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE A1197
SER A1144
ALA A1147
PRO A1179
 None
 0.91A 5dzkD-5gzuA:
3.6
5dzkR-5gzuA:
undetectable		 5dzkD-5gzuA:
13.90
5dzkR-5gzuA:
1.10
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 PHE A  12
ALA A  13
PRO A 272
LEU A  16
 None
 1.15A 5dzkD-5i0pA:
undetectable
5dzkR-5i0pA:
undetectable		 5dzkD-5i0pA:
21.04
5dzkR-5i0pA:
3.57
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.
5ko3 ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 PHE A 269
SER A 167
ALA A 166
PRO A 250
 None
 1.14A 5dzkD-5ko3A:
undetectable
5dzkR-5ko3A:
undetectable		 5dzkD-5ko3A:
21.01
5dzkR-5ko3A:
1.09
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.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		4 SER A  41
ALA A  40
HIS A  42
LEU A 227
 None
 1.08A 5dzkD-5malA:
undetectable
5dzkR-5malA:
undetectable		 5dzkD-5malA:
23.20
5dzkR-5malA:
1.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 4 PHE b 141
SER b 147
ALA b 146
LEU b 143
 CLA  b1817 (-4.0A)
None
None
None
 1.15A 5dzkD-5oy0b:
undetectable
5dzkR-5oy0b:
undetectable		 5dzkD-5oy0b:
undetectable
5dzkR-5oy0b:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 PHE A 724
SER A 730
ALA A 729
HIS A 818
 None
 0.83A 5dzkD-5um6A:
undetectable
5dzkR-5um6A:
undetectable		 5dzkD-5um6A:
11.46
5dzkR-5um6A:
0.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyr BACTERIOPHYTOCHROME

(Xanthomonas
campestris) 		no annotation 4 PHE A 516
SER A 522
ALA A 521
LEU A 518
 None
 1.06A 5dzkD-5uyrA:
undetectable
5dzkR-5uyrA:
undetectable		 5dzkD-5uyrA:
undetectable
5dzkR-5uyrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8u ORF1AB PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 PHE A 269
SER A 167
ALA A 166
PRO A 250
 None
 0.89A 5dzkD-5w8uA:
undetectable
5dzkR-5w8uA:
undetectable		 5dzkD-5w8uA:
20.73
5dzkR-5w8uA:
28.57
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.
5x0e FREE SERINE KINASE

(Thermococcus
kodakarensis) 		PF02195
(ParBc) 		4 PHE A  93
ALA A  57
PRO A  60
MET A 209
 None
 1.02A 5dzkD-5x0eA:
undetectable
5dzkR-5x0eA:
undetectable		 5dzkD-5x0eA:
21.71
5dzkR-5x0eA:
3.57
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 4 PHE A 151
SER A 108
ALA A 111
PRO A 143
 None
 1.15A 5dzkD-5xepA:
2.8
5dzkR-5xepA:
undetectable		 5dzkD-5xepA:
undetectable
5dzkR-5xepA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ckc METHYLOSOME PROTEIN
50

(Homo sapiens) 		no annotation 4 PHE B 291
SER B 273
ALA B 272
HIS B 254
 None
 1.13A 5dzkD-6ckcB:
undetectable
5dzkR-6ckcB:
undetectable		 5dzkD-6ckcB:
undetectable
5dzkR-6ckcB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 4 SER C 110
ALA C 136
HIS C 109
LEU C 228
 MPD  C 302 (-3.3A)
SO4  C 301 ( 4.0A)
MPD  C 302 (-4.3A)
SO4  C 301 ( 4.4A)
 0.89A 5dzkD-6eicC:
2.4
5dzkR-6eicC:
undetectable		 5dzkD-6eicC:
undetectable
5dzkR-6eicC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k ACTF

(Rhodothermus
marinus) 		no annotation 4 PHE F  83
ALA F 242
PRO F 102
LEU F  81
 None
 0.99A 5dzkD-6f0kF:
undetectable
5dzkR-6f0kF:
undetectable		 5dzkD-6f0kF:
undetectable
5dzkR-6f0kF:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gdg TRXA,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 4 PHE A  93
ALA A  97
PRO A 189
LEU A  95
 None
 0.96A 5dzkD-6gdgA:
undetectable
5dzkR-6gdgA:
undetectable		 5dzkD-6gdgA:
undetectable
5dzkR-6gdgA:
undetectable