SIMILAR PATTERNS OF AMINO ACIDS FOR 6DWJ_B_GLYB710

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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		4 ARG A 177
GLY A 175
ASN A 170
ASP A 171
 None
DCM  A 300 (-3.5A)
DCM  A 300 (-3.9A)
None
 1.34A 6dwjB-1b5dA:
0.0
6dwjD-1b5dA:
0.0		 6dwjB-1b5dA:
19.09
6dwjD-1b5dA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		4 ARG A 153
GLY A 156
ASN A 158
ASP A 157
 None
 1.38A 6dwjB-1dy6A:
0.0
6dwjD-1dy6A:
undetectable		 6dwjB-1dy6A:
19.96
6dwjD-1dy6A:
19.96
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 ARG A 123
ARG A 207
GLY A 169
ASN A 168
 None
B12  A 800 (-3.9A)
None
None
 1.19A 6dwjB-1e1cA:
0.0
6dwjD-1e1cA:
0.0		 6dwjB-1e1cA:
23.78
6dwjD-1e1cA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ARG A 412
ARG A 413
GLY A 414
ASP A 221
 None
 1.31A 6dwjB-1g8kA:
0.0
6dwjD-1g8kA:
0.0		 6dwjB-1g8kA:
20.43
6dwjD-1g8kA:
20.43
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.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		4 ARG A  82
ARG A  84
GLY A  13
ASN A  15
 None
 1.14A 6dwjB-1h65A:
0.0
6dwjD-1h65A:
0.0		 6dwjB-1h65A:
20.98
6dwjD-1h65A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		4 ARG A  43
ARG A  39
GLY A  40
ASP A 214
 None
NDP  A 402 (-3.7A)
NDP  A 402 (-3.3A)
NDP  A 402 (-4.8A)
 1.28A 6dwjB-1ja9A:
0.0
6dwjD-1ja9A:
undetectable		 6dwjB-1ja9A:
18.95
6dwjD-1ja9A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		4 ARG A 119
ARG A  64
GLY A  63
ASP A 135
 None
 1.22A 6dwjB-1jjiA:
1.2
6dwjD-1jjiA:
1.0		 6dwjB-1jjiA:
20.04
6dwjD-1jjiA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		4 ARG A  65
ARG A  64
GLY A  66
ASN A  67
 None
MLY  A  46 ( 3.7A)
None
None
 1.19A 6dwjB-1llnA:
0.0
6dwjD-1llnA:
0.0		 6dwjB-1llnA:
18.63
6dwjD-1llnA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o60 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Haemophilus
influenzae) 		PF00793
(DAHP_synth_1) 		4 ARG A  63
ARG A  70
GLY A  71
ASP A  59
 None
 1.38A 6dwjB-1o60A:
0.0
6dwjD-1o60A:
undetectable		 6dwjB-1o60A:
18.59
6dwjD-1o60A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oru YUAD PROTEIN

(Bacillus
subtilis) 		no annotation 4 ARG A  63
ARG A  50
ASN A 126
ASP A 127
 None
CL  A 506 ( 4.0A)
CL  A 506 ( 4.8A)
None
 1.10A 6dwjB-1oruA:
undetectable
6dwjD-1oruA:
undetectable		 6dwjB-1oruA:
17.23
6dwjD-1oruA:
17.23
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.
1p15 PROTEIN-TYROSINE
PHOSPHATASE ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		4 ARG A 566
ARG A 543
GLY A 545
ASN A 546
 None
 1.09A 6dwjB-1p15A:
undetectable
6dwjD-1p15A:
undetectable		 6dwjB-1p15A:
19.02
6dwjD-1p15A:
19.02
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.
1q33 ADP-RIBOSE
PYROPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		4 ARG A  66
GLY A 152
ASN A 149
ASP A 276
 None
 0.95A 6dwjB-1q33A:
undetectable
6dwjD-1q33A:
undetectable		 6dwjB-1q33A:
19.35
6dwjD-1q33A:
19.35
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 ARG A 589
GLY A 572
ASN A 513
ASP A 571
 None
None
ACR  A3000 (-3.5A)
None
 1.37A 6dwjB-1ulvA:
undetectable
6dwjD-1ulvA:
undetectable		 6dwjB-1ulvA:
19.45
6dwjD-1ulvA:
19.45
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 ARG A 784
GLY A 782
ASN A 781
ASP A 779
 ARG  A 784 ( 0.6A)
GLY  A 782 ( 0.0A)
ASN  A 781 ( 0.6A)
ASP  A 779 ( 0.6A)
 1.38A 6dwjB-1v0fA:
undetectable
6dwjD-1v0fA:
undetectable		 6dwjB-1v0fA:
21.34
6dwjD-1v0fA:
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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		4 ARG A 243
GLY A 232
ASN A 233
ASP A 132
 None
SAM  A 301 (-3.2A)
None
None
 1.18A 6dwjB-1x7pA:
undetectable
6dwjD-1x7pA:
undetectable		 6dwjB-1x7pA:
19.89
6dwjD-1x7pA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 449
ARG A 444
GLY A 769
ASP A 378
 None
 1.34A 6dwjB-1x9nA:
undetectable
6dwjD-1x9nA:
undetectable		 6dwjB-1x9nA:
21.10
6dwjD-1x9nA:
21.10
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 ARG A 491
GLY A 496
ASN A 499
ASP A 498
 None
 0.89A 6dwjB-1yt8A:
undetectable
6dwjD-1yt8A:
undetectable		 6dwjB-1yt8A:
21.05
6dwjD-1yt8A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		4 ARG B 245
GLY B 414
ASN B 410
ASP B 405
 None
 1.34A 6dwjB-1zunB:
undetectable
6dwjD-1zunB:
undetectable		 6dwjB-1zunB:
22.53
6dwjD-1zunB:
22.53
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.
2btj GREEN TO RED
PHOTOCONVERTIBLE
GPF-LIKE PROTEIN
EOSFP

(Lobophyllia
hemprichii) 		PF01353
(GFP) 		4 ARG A  91
ARG A 174
GLY A 155
ASP A 156
 IEY  A  64 ( 2.9A)
None
None
None
 1.22A 6dwjB-2btjA:
undetectable
6dwjD-2btjA:
undetectable		 6dwjB-2btjA:
16.67
6dwjD-2btjA:
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.
2fqh HYPOTHETICAL PROTEIN
TA0938

(Thermoplasma
acidophilum) 		PF11494
(Ta0938) 		4 ARG A  89
GLY A  10
ASN A   9
ASP A  88
 None
 1.23A 6dwjB-2fqhA:
undetectable
6dwjD-2fqhA:
undetectable		 6dwjB-2fqhA:
10.56
6dwjD-2fqhA:
10.56
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 ARG A  87
GLY A  85
ASN A 117
ASP A  86
 None
 1.39A 6dwjB-2g8yA:
undetectable
6dwjD-2g8yA:
undetectable		 6dwjB-2g8yA:
25.27
6dwjD-2g8yA:
25.27
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		4 ARG A  19
GLY A  42
ASN A  38
ASP A  36
 None
None
None
NAD  A 300 (-2.8A)
 1.23A 6dwjB-2gdzA:
undetectable
6dwjD-2gdzA:
undetectable		 6dwjB-2gdzA:
21.84
6dwjD-2gdzA:
21.84
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.
2hz2 CYANOGLOBIN

(Synechocystis
sp. PCC 6803) 		PF01152
(Bac_globin) 		4 ARG A  64
ARG A  67
GLY A  63
ASP A 120
 None
None
CD  A 202 ( 4.4A)
CD  A 202 (-2.2A)
 1.23A 6dwjB-2hz2A:
undetectable
6dwjD-2hz2A:
1.7		 6dwjB-2hz2A:
14.25
6dwjD-2hz2A:
14.25
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ARG A 420
ARG A 419
GLY A 423
ASP A 422
 None
 1.39A 6dwjB-2i4nA:
0.9
6dwjD-2i4nA:
undetectable		 6dwjB-2i4nA:
24.28
6dwjD-2i4nA:
24.28
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.
2jh1 MICRONEMAL PROTEIN 1

(Toxoplasma
gondii) 		PF10564
(MAR_sialic_bdg) 		4 ARG A 192
ARG A 191
GLY A 193
ASP A 199
 None
 1.39A 6dwjB-2jh1A:
undetectable
6dwjD-2jh1A:
undetectable		 6dwjB-2jh1A:
17.40
6dwjD-2jh1A:
17.40
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.
2nxg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Aquifex
aeolicus) 		PF00793
(DAHP_synth_1) 		4 ARG A1049
ARG A1056
GLY A1057
ASP A1045
 A5P  A1269 (-4.0A)
None
None
None
 1.38A 6dwjB-2nxgA:
undetectable
6dwjD-2nxgA:
undetectable		 6dwjB-2nxgA:
18.13
6dwjD-2nxgA:
18.13
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.
2qdr UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF14499
(DUF4437) 		4 ARG A  33
ARG A  31
GLY A  32
ASN A 214
 None
 1.27A 6dwjB-2qdrA:
undetectable
6dwjD-2qdrA:
undetectable		 6dwjB-2qdrA:
19.73
6dwjD-2qdrA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 ARG A  30
GLY A  28
ASN A  27
ASP A  31
 None
 1.29A 6dwjB-2tptA:
undetectable
6dwjD-2tptA:
undetectable		 6dwjB-2tptA:
21.81
6dwjD-2tptA:
21.81
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ARG A 447
ARG A 133
GLY A  23
ASN A  22
 PL3  A1588 (-3.4A)
None
None
None
 1.40A 6dwjB-2uuuA:
2.9
6dwjD-2uuuA:
3.2		 6dwjB-2uuuA:
22.58
6dwjD-2uuuA:
22.58
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.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 ARG A 589
GLY A 273
ASN A 272
ASP A 271
 None
 0.71A 6dwjB-2vxoA:
1.5
6dwjD-2vxoA:
1.5		 6dwjB-2vxoA:
23.76
6dwjD-2vxoA:
23.76
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ARG A 436
ARG A 445
GLY A 444
ASN A 403
 None
 1.39A 6dwjB-2ww2A:
undetectable
6dwjD-2ww2A:
undetectable		 6dwjB-2ww2A:
21.24
6dwjD-2ww2A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzr POLYPROTEIN
POLYPROTEIN

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 ARG 3 220
GLY 1 102
ASN 1 104
ASP 1 103
 None
 1.12A 6dwjB-2wzr3:
undetectable
6dwjD-2wzr3:
undetectable		 6dwjB-2wzr3:
17.55
6dwjD-2wzr3:
17.55
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 ARG A  55
GLY A 466
ASN A 465
ASP A 463
 None
 1.33A 6dwjB-2x7jA:
undetectable
6dwjD-2x7jA:
undetectable		 6dwjB-2x7jA:
23.43
6dwjD-2x7jA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ARG A  66
GLY A  64
ASN A  61
ASP A  77
 None
 1.36A 6dwjB-2xkrA:
undetectable
6dwjD-2xkrA:
0.3		 6dwjB-2xkrA:
21.34
6dwjD-2xkrA:
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		4 ARG A  65
GLY A  64
ASN A  38
ASP A  59
 None
 1.35A 6dwjB-2yysA:
undetectable
6dwjD-2yysA:
undetectable		 6dwjB-2yysA:
19.93
6dwjD-2yysA:
19.93
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.
2zx0 CSL3

(Oncorhynchus
keta) 		PF02140
(Gal_Lectin) 		4 ARG A 129
ARG A 130
ASN A 126
ASP A 189
 None
 1.30A 6dwjB-2zx0A:
undetectable
6dwjD-2zx0A:
undetectable		 6dwjB-2zx0A:
14.86
6dwjD-2zx0A:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		4 ARG A 168
ARG A 169
GLY A 172
ASP A 171
 None
 1.29A 6dwjB-3cjyA:
undetectable
6dwjD-3cjyA:
undetectable		 6dwjB-3cjyA:
18.86
6dwjD-3cjyA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cxb PROTEIN SIFA

(Salmonella
enterica) 		PF06767
(Sif) 		4 ARG A 150
ARG A 151
ASN A  88
ASP A  93
 None
 1.12A 6dwjB-3cxbA:
undetectable
6dwjD-3cxbA:
undetectable		 6dwjB-3cxbA:
21.86
6dwjD-3cxbA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 ARG A 210
GLY A 211
ASN A 214
ASP A 213
 None
 1.40A 6dwjB-3dcdA:
undetectable
6dwjD-3dcdA:
undetectable		 6dwjB-3dcdA:
20.00
6dwjD-3dcdA:
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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 166
ARG A 165
GLY A 164
ASP A 171
 None
 1.21A 6dwjB-3dg7A:
undetectable
6dwjD-3dg7A:
undetectable		 6dwjB-3dg7A:
19.50
6dwjD-3dg7A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		4 ARG A 234
GLY A 235
ASN A 236
ASP A 205
 None
 1.32A 6dwjB-3e0fA:
undetectable
6dwjD-3e0fA:
undetectable		 6dwjB-3e0fA:
19.02
6dwjD-3e0fA:
19.02
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.
3ebl GIBBERELLIN RECEPTOR
GID1

(Oryza sativa) 		PF07859
(Abhydrolase_3) 		4 ARG A 278
ARG A 279
GLY A 281
ASP A 312
 None
 1.11A 6dwjB-3eblA:
0.8
6dwjD-3eblA:
0.8		 6dwjB-3eblA:
21.14
6dwjD-3eblA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efy CIF (CELL CYCLE
INHIBITING FACTOR)

(Escherichia
coli) 		PF16374
(CIF) 		4 ARG A 194
GLY A 240
ASN A 241
ASP A 239
 None
 1.36A 6dwjB-3efyA:
undetectable
6dwjD-3efyA:
undetectable		 6dwjB-3efyA:
16.04
6dwjD-3efyA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG A 176
GLY A 177
ASN A 189
ASP A 149
 None
 1.15A 6dwjB-3fhhA:
undetectable
6dwjD-3fhhA:
undetectable		 6dwjB-3fhhA:
22.58
6dwjD-3fhhA:
22.58
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.
3ftt PUTATIVE
ACETYLTRANSFERASE
SACOL2570

(Staphylococcus
aureus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		4 ARG A  25
GLY A  92
ASN A  74
ASP A  91
 None
 1.39A 6dwjB-3fttA:
undetectable
6dwjD-3fttA:
undetectable		 6dwjB-3fttA:
14.36
6dwjD-3fttA:
14.36
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.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 ARG A 347
ARG A 348
GLY A 334
ASP A 339
 None
 1.28A 6dwjB-3fw6A:
undetectable
6dwjD-3fw6A:
undetectable		 6dwjB-3fw6A:
23.08
6dwjD-3fw6A:
23.08
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.
3hx1 SLR1951 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00498
(FHA) 		4 ARG A  22
ARG A  23
GLY A  21
ASP A  18
 None
 1.15A 6dwjB-3hx1A:
undetectable
6dwjD-3hx1A:
undetectable		 6dwjB-3hx1A:
14.00
6dwjD-3hx1A:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i1c DIISOPROPYL-FLUOROPH
OSPHATASE

(Loligo vulgaris) 		PF08450
(SGL) 		4 ARG A 115
ARG A 114
GLY A 113
ASP A 110
 None
 1.40A 6dwjB-3i1cA:
undetectable
6dwjD-3i1cA:
undetectable		 6dwjB-3i1cA:
19.86
6dwjD-3i1cA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 116
ARG A 147
GLY A 118
ASN A 121
 EDO  A   6 (-3.5A)
None
None
None
 1.40A 6dwjB-3i4gA:
undetectable
6dwjD-3i4gA:
2.2		 6dwjB-3i4gA:
22.45
6dwjD-3i4gA:
22.45
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ARG A  42
GLY A 158
ASN A 274
ASP A 159
 None
 1.38A 6dwjB-3il3A:
undetectable
6dwjD-3il3A:
undetectable		 6dwjB-3il3A:
20.50
6dwjD-3il3A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 ARG A  30
ARG A 141
GLY A  31
ASN A 179
 None
 1.41A 6dwjB-3koyA:
undetectable
6dwjD-3koyA:
undetectable		 6dwjB-3koyA:
21.13
6dwjD-3koyA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lml LIN1278 PROTEIN

(Listeria
innocua) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		4 ARG A 366
ARG A 367
ASN A 368
ASP A 371
 None
 1.40A 6dwjB-3lmlA:
undetectable
6dwjD-3lmlA:
undetectable		 6dwjB-3lmlA:
22.34
6dwjD-3lmlA:
22.34
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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 ARG A 633
GLY A 228
ASN A 221
ASP A 225
 None
 1.32A 6dwjB-3nxpA:
undetectable
6dwjD-3nxpA:
undetectable		 6dwjB-3nxpA:
22.48
6dwjD-3nxpA:
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.
3o2q SYMPLEKIN

(Homo sapiens) 		PF11935
(DUF3453) 		4 ARG A 180
GLY A 178
ASN A 176
ASP A 177
 None
 1.40A 6dwjB-3o2qA:
undetectable
6dwjD-3o2qA:
1.7		 6dwjB-3o2qA:
22.90
6dwjD-3o2qA:
22.90
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 ARG L  17
GLY L  15
ASN L  35
ASP L  13
 None
 1.37A 6dwjB-3rgwL:
undetectable
6dwjD-3rgwL:
0.8		 6dwjB-3rgwL:
22.31
6dwjD-3rgwL:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ARG X 313
ARG X 312
GLY X 311
ASP X 310
 SO4  X 995 (-2.7A)
None
None
None
 1.23A 6dwjB-3rwkX:
undetectable
6dwjD-3rwkX:
undetectable		 6dwjB-3rwkX:
21.52
6dwjD-3rwkX:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 466
ARG A 463
GLY A 436
ASP A 434
 ANP  A 800 (-2.5A)
None
None
None
 1.41A 6dwjB-3sqwA:
undetectable
6dwjD-3sqwA:
undetectable		 6dwjB-3sqwA:
22.45
6dwjD-3sqwA:
22.45
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.
3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2

(Burkholderia
pseudomallei) 		PF00793
(DAHP_synth_1) 		4 ARG A  61
ARG A  68
GLY A  69
ASP A  57
 A5P  A 282 (-3.9A)
None
None
None
 1.33A 6dwjB-3tmqA:
undetectable
6dwjD-3tmqA:
undetectable		 6dwjB-3tmqA:
19.93
6dwjD-3tmqA:
19.93
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		4 ARG A   8
GLY A 432
ASN A 431
ASP A   6
 None
 1.37A 6dwjB-4aioA:
undetectable
6dwjD-4aioA:
undetectable		 6dwjB-4aioA:
20.91
6dwjD-4aioA:
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.
4chb KELCH-LIKE PROTEIN 2

(Homo sapiens) 		PF01344
(Kelch_1) 		4 ARG A 345
ARG A 343
GLY A 363
ASN A 362
 None
SO4  A1596 (-3.0A)
None
SO4  A1596 ( 3.9A)
 1.34A 6dwjB-4chbA:
undetectable
6dwjD-4chbA:
undetectable		 6dwjB-4chbA:
19.13
6dwjD-4chbA:
19.13
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		4 ARG A 304
ARG A 278
ASN A 281
ASP A 280
 None
 1.36A 6dwjB-4eayA:
undetectable
6dwjD-4eayA:
undetectable		 6dwjB-4eayA:
23.74
6dwjD-4eayA:
23.74
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		4 ARG A 153
GLY A 156
ASN A 158
ASP A 157
 None
None
EDO  A 403 (-4.7A)
EDO  A 403 ( 4.2A)
 1.37A 6dwjB-4ev4A:
undetectable
6dwjD-4ev4A:
undetectable		 6dwjB-4ev4A:
20.19
6dwjD-4ev4A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6o METACASPASE-1

(Saccharomyces
cerevisiae) 		PF00656
(Peptidase_C14) 		4 ARG A 136
ARG A 135
GLY A 134
ASP A 211
 None
 1.31A 6dwjB-4f6oA:
undetectable
6dwjD-4f6oA:
undetectable		 6dwjB-4f6oA:
20.36
6dwjD-4f6oA:
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		4 ARG A 202
GLY A 248
ASN A 249
ASP A 247
 None
 1.40A 6dwjB-4f8cA:
undetectable
6dwjD-4f8cA:
undetectable		 6dwjB-4f8cA:
21.52
6dwjD-4f8cA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 ARG A 424
ARG A 425
GLY A 423
ASN A 355
 None
 1.31A 6dwjB-4fl0A:
undetectable
6dwjD-4fl0A:
undetectable		 6dwjB-4fl0A:
24.19
6dwjD-4fl0A:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 ARG A  90
ARG A 162
GLY A 158
ASP A 157
 None
 1.14A 6dwjB-4gd5A:
undetectable
6dwjD-4gd5A:
undetectable		 6dwjB-4gd5A:
19.00
6dwjD-4gd5A:
19.00
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		4 ARG A  48
ARG A  47
GLY A  46
ASP A  43
 None
 1.36A 6dwjB-4grxA:
undetectable
6dwjD-4grxA:
undetectable		 6dwjB-4grxA:
22.50
6dwjD-4grxA:
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.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 ARG A  56
ARG A  59
GLY A 147
ASP A 151
 None
 1.28A 6dwjB-4i04A:
undetectable
6dwjD-4i04A:
undetectable		 6dwjB-4i04A:
20.92
6dwjD-4i04A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2u ANTIBODY HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  50
GLY H  55
ASN H  56
ASP H  52
 SO4  H 303 (-3.3A)
None
None
None
 1.40A 6dwjB-4k2uH:
undetectable
6dwjD-4k2uH:
undetectable		 6dwjB-4k2uH:
17.32
6dwjD-4k2uH:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4max CYANOGLOBIN

(Synechococcus
sp. PCC 7002) 		PF01152
(Bac_globin) 		4 ARG A  64
ARG A  67
GLY A  63
ASP A 120
 None
 1.34A 6dwjB-4maxA:
undetectable
6dwjD-4maxA:
2.2		 6dwjB-4maxA:
14.45
6dwjD-4maxA:
14.45
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		4 ARG A 162
GLY A 157
ASN A 138
ASP A 139
 None
 1.38A 6dwjB-4novA:
undetectable
6dwjD-4novA:
undetectable		 6dwjB-4novA:
20.45
6dwjD-4novA:
20.45
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ARG A 391
ARG A 390
GLY A 389
ASP A 386
 None
 1.37A 6dwjB-4qiwA:
undetectable
6dwjD-4qiwA:
2.4		 6dwjB-4qiwA:
20.24
6dwjD-4qiwA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		4 ARG A 250
GLY A 316
ASN A 233
ASP A 320
 None
 1.32A 6dwjB-4r2fA:
undetectable
6dwjD-4r2fA:
undetectable		 6dwjB-4r2fA:
23.61
6dwjD-4r2fA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II,
CHLOROPLASTIC

(Pisum sativum;
Pisum sativum) 		PF00223
(PsaA_PsaB)
PF02531
(PsaD) 		4 ARG A 439
ARG A 437
GLY D 119
ASP A 433
 None
 1.34A 6dwjB-4rkuA:
undetectable
6dwjD-4rkuA:
undetectable		 6dwjB-4rkuA:
21.53
6dwjD-4rkuA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  68
GLY A  66
ASN A  65
ASP A  63
 None
 1.38A 6dwjB-4tx1A:
undetectable
6dwjD-4tx1A:
undetectable		 6dwjB-4tx1A:
19.02
6dwjD-4tx1A:
19.02
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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 466
ARG A 463
GLY A 436
ASP A 434
 BEF  A 602 (-3.0A)
None
None
A  B   3 ( 4.5A)
 1.34A 6dwjB-4tz0A:
undetectable
6dwjD-4tz0A:
undetectable		 6dwjB-4tz0A:
22.00
6dwjD-4tz0A:
22.00
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		4 ARG A 154
GLY A 157
ASN A 159
ASP A 158
 None
 1.31A 6dwjB-4yfmA:
undetectable
6dwjD-4yfmA:
undetectable		 6dwjB-4yfmA:
20.47
6dwjD-4yfmA:
20.47
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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		4 ARG A 155
GLY A  10
ASN A   9
ASP A   8
 None
 0.89A 6dwjB-4ylaA:
undetectable
6dwjD-4ylaA:
undetectable		 6dwjB-4ylaA:
22.00
6dwjD-4ylaA:
22.00
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ARG A 244
GLY A 432
ASN A 431
ASP A  65
 None
 1.31A 6dwjB-4zktA:
undetectable
6dwjD-4zktA:
0.4		 6dwjB-4zktA:
17.79
6dwjD-4zktA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 224
ARG A 223
GLY A 222
ASP A 221
 None
 1.39A 6dwjB-5brqA:
undetectable
6dwjD-5brqA:
undetectable		 6dwjB-5brqA:
23.16
6dwjD-5brqA:
23.16
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ARG A  28
GLY A 159
ASN A 280
ASP A 160
 None
 1.34A 6dwjB-5by7A:
undetectable
6dwjD-5by7A:
undetectable		 6dwjB-5by7A:
22.70
6dwjD-5by7A:
22.70
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 ARG A   5
ARG A   4
GLY A 380
ASP A 379
 None
 1.39A 6dwjB-5dqpA:
undetectable
6dwjD-5dqpA:
undetectable		 6dwjB-5dqpA:
24.29
6dwjD-5dqpA:
24.29
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.
5e5r CONTACTIN-3

(Mus musculus) 		PF13927
(Ig_3) 		4 ARG B 262
ARG B 263
GLY B 266
ASP B 265
 None
 1.33A 6dwjB-5e5rB:
undetectable
6dwjD-5e5rB:
undetectable		 6dwjB-5e5rB:
16.23
6dwjD-5e5rB:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eb2 YFIR

(Pseudomonas
aeruginosa) 		PF13689
(DUF4154) 		4 ARG A  93
ARG A  92
GLY A  91
ASN A  90
 None
 1.11A 6dwjB-5eb2A:
undetectable
6dwjD-5eb2A:
undetectable		 6dwjB-5eb2A:
14.05
6dwjD-5eb2A:
14.05
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.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 ARG A 191
ARG A 192
GLY A 196
ASP A 197
 None
 1.30A 6dwjB-5gl9A:
undetectable
6dwjD-5gl9A:
undetectable		 6dwjB-5gl9A:
20.72
6dwjD-5gl9A:
20.72
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.
5h9m E3 UBIQUITIN-PROTEIN
LIGASE SIAH2

(Homo sapiens) 		PF03145
(Sina) 		4 ARG A 272
ARG A 273
GLY A 269
ASN A 268
 None
 1.29A 6dwjB-5h9mA:
undetectable
6dwjD-5h9mA:
undetectable		 6dwjB-5h9mA:
15.79
6dwjD-5h9mA:
15.79
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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		4 ARG B 106
ARG B 105
GLY B 103
ASN B 102
 None
 1.10A 6dwjB-5k5aB:
undetectable
6dwjD-5k5aB:
undetectable		 6dwjB-5k5aB:
21.56
6dwjD-5k5aB:
21.56
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 ARG A  93
GLY A 223
ASN A 224
ASP A 267
 6S6  A 613 ( 4.9A)
None
6S6  A 613 (-2.9A)
None
 1.35A 6dwjB-5la7A:
undetectable
6dwjD-5la7A:
undetectable		 6dwjB-5la7A:
19.73
6dwjD-5la7A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ARG A 405
ARG A 259
GLY A 403
ASN A 260
 None
 1.36A 6dwjB-5li8A:
undetectable
6dwjD-5li8A:
undetectable		 6dwjB-5li8A:
21.88
6dwjD-5li8A:
21.88
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.
5lnk MITOCHONDRIAL
COMPLEX I, B14.5B
SUBUNIT

(Ovis aries) 		no annotation 4 ARG o  60
GLY o  42
ASN o  46
ASP o  45
 3PE  o 203 (-3.3A)
None
None
None
 1.26A 6dwjB-5lnko:
undetectable
6dwjD-5lnko:
undetectable		 6dwjB-5lnko:
13.13
6dwjD-5lnko:
13.13
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.
5ms3 KALLIKREIN-8

(Homo sapiens) 		no annotation 4 ARG A 233
GLY A 179
ASN A 230
ASP A 178
 None
 1.27A 6dwjB-5ms3A:
undetectable
6dwjD-5ms3A:
undetectable		 6dwjB-5ms3A:
undetectable
6dwjD-5ms3A:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 ARG A  38
ARG A  43
GLY A  40
ASP A  42
 None
 1.16A 6dwjB-5n4lA:
undetectable
6dwjD-5n4lA:
undetectable		 6dwjB-5n4lA:
undetectable
6dwjD-5n4lA:
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 ARG A 207
ARG A 305
GLY A 307
ASN A 365
 None
 1.33A 6dwjB-5njfA:
undetectable
6dwjD-5njfA:
undetectable		 6dwjB-5njfA:
23.64
6dwjD-5njfA:
23.64
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.
5njf METALLOPROTEASE TLDD

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		4 ARG A 306
ARG A 305
GLY A 464
ASN A 365
 None
 1.01A 6dwjB-5njfA:
undetectable
6dwjD-5njfA:
undetectable		 6dwjB-5njfA:
23.64
6dwjD-5njfA:
23.64
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 ARG A 427
GLY A 397
ASN A 395
ASP A 396
 None
 1.27A 6dwjB-5ujuA:
undetectable
6dwjD-5ujuA:
1.2		 6dwjB-5ujuA:
24.56
6dwjD-5ujuA:
24.56
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.
5w8d AUTOINDUCER SYNTHASE

(Bradyrhizobium
japonicum) 		PF00765
(Autoind_synth) 		4 ARG A  38
ARG A  39
GLY A  42
ASP A  41
 None
 1.27A 6dwjB-5w8dA:
undetectable
6dwjD-5w8dA:
undetectable		 6dwjB-5w8dA:
17.01
6dwjD-5w8dA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 ARG A 444
ARG A 443
GLY A 442
ASP A 438
 None
 1.18A 6dwjB-5wkaA:
undetectable
6dwjD-5wkaA:
undetectable		 6dwjB-5wkaA:
undetectable
6dwjD-5wkaA:
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 ARG A 212
ARG A 237
GLY A 209
ASP A 208
 None
 1.29A 6dwjB-5xgwA:
undetectable
6dwjD-5xgwA:
undetectable		 6dwjB-5xgwA:
undetectable
6dwjD-5xgwA:
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ARG A2332
GLY A2075
ASN A2074
ASP A2073
 None
 1.36A 6dwjB-5y2aA:
undetectable
6dwjD-5y2aA:
undetectable		 6dwjB-5y2aA:
undetectable
6dwjD-5y2aA:
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Acinetobacter
baumannii) 		no annotation 4 ARG A  67
ARG A  74
GLY A  75
ASP A  63
 SO4  A 300 (-4.0A)
None
None
None
 1.34A 6dwjB-6bngA:
undetectable
6dwjD-6bngA:
undetectable		 6dwjB-6bngA:
undetectable
6dwjD-6bngA:
undetectable