SIMILAR PATTERNS OF AMINO ACIDS FOR 6DWD_B_GLYB709_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.
1atd ASCARIS TRYPSIN
INHIBITOR

(Ascaris suum) 		PF01826
(TIL) 		4 GLY A  52
ASN A  53
ASP A  49
ARG A  48
 None
 1.40A 6dwdB-1atdA:
0.0
6dwdD-1atdA:
0.0		 6dwdB-1atdA:
7.60
6dwdD-1atdA:
7.60
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.
1dxx DYSTROPHIN

(Homo sapiens) 		PF00307
(CH) 		4 GLY A  47
ASN A  76
ASP A  46
ARG A  49
 None
 1.31A 6dwdB-1dxxA:
0.0
6dwdD-1dxxA:
0.0		 6dwdB-1dxxA:
16.52
6dwdD-1dxxA:
16.52
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 GLY A  17
ASP A  16
ARG A  19
ARG A  18
 None
 1.36A 6dwdB-1fuiA:
0.0
6dwdD-1fuiA:
0.0		 6dwdB-1fuiA:
20.65
6dwdD-1fuiA:
20.65
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 GLY A 414
ASP A 221
ARG A 412
ARG A 413
 None
 1.34A 6dwdB-1g8kA:
0.0
6dwdD-1g8kA:
0.0		 6dwdB-1g8kA:
20.43
6dwdD-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.
1ib1 SEROTONIN
N-ACETYLTRANSFERASE

(Ovis aries) 		PF00583
(Acetyltransf_1) 		4 GLY E 116
ASP E 100
ARG E 115
ARG E 113
 None
 1.36A 6dwdB-1ib1E:
0.0
6dwdD-1ib1E:
0.0		 6dwdB-1ib1E:
18.48
6dwdD-1ib1E:
18.48
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		4 GLY A  63
ASP A 135
ARG A 119
ARG A  64
 None
 1.24A 6dwdB-1jjiA:
0.0
6dwdD-1jjiA:
0.0		 6dwdB-1jjiA:
20.04
6dwdD-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.
1k2f SIAH-1A PROTEIN

(Mus musculus) 		PF03145
(Sina) 		4 GLY A 229
ASN A 228
ARG A 232
ARG A 233
 None
None
None
BME  A 553 ( 4.3A)
 1.35A 6dwdB-1k2fA:
0.0
6dwdD-1k2fA:
0.0		 6dwdB-1k2fA:
14.26
6dwdD-1k2fA:
14.26
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 GLY A 384
ASN A 406
ASP A 385
ARG A 998
 None
 1.40A 6dwdB-1k32A:
0.0
6dwdD-1k32A:
0.0		 6dwdB-1k32A:
19.58
6dwdD-1k32A:
19.58
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.
1lln ANTIVIRAL PROTEIN 3

(Phytolacca
americana) 		PF00161
(RIP) 		4 GLY A  66
ASN A  67
ARG A  65
ARG A  64
 None
None
None
MLY  A  46 ( 3.7A)
 1.16A 6dwdB-1llnA:
0.0
6dwdD-1llnA:
0.0		 6dwdB-1llnA:
18.63
6dwdD-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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 GLY A 230
ASN A 229
ASP A 228
ARG A 199
 CA  A 703 ( 4.4A)
None
CA  A 703 (-2.3A)
None
 1.33A 6dwdB-1nugA:
undetectable
6dwdD-1nugA:
undetectable		 6dwdB-1nugA:
21.10
6dwdD-1nugA:
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.
1oru YUAD PROTEIN

(Bacillus
subtilis) 		no annotation 4 ASN A 126
ASP A 127
ARG A  63
ARG A  50
 CL  A 506 ( 4.8A)
None
None
CL  A 506 ( 4.0A)
 1.07A 6dwdB-1oruA:
undetectable
6dwdD-1oruA:
undetectable		 6dwdB-1oruA:
17.23
6dwdD-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 GLY A 545
ASN A 546
ARG A 566
ARG A 543
 None
 1.17A 6dwdB-1p15A:
undetectable
6dwdD-1p15A:
undetectable		 6dwdB-1p15A:
19.02
6dwdD-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 GLY A 152
ASN A 149
ASP A 276
ARG A  66
 None
 0.95A 6dwdB-1q33A:
undetectable
6dwdD-1q33A:
undetectable		 6dwdB-1q33A:
19.35
6dwdD-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.
1u5l PRION PROTEIN

(Trachemys
scripta) 		PF00377
(Prion) 		4 GLY A 136
ASN A 159
ARG A 138
ARG A 156
 None
 1.36A 6dwdB-1u5lA:
undetectable
6dwdD-1u5lA:
undetectable		 6dwdB-1u5lA:
12.80
6dwdD-1u5lA:
12.80
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 GLY A 572
ASN A 513
ASP A 571
ARG A 589
 None
ACR  A3000 (-3.5A)
None
None
 1.39A 6dwdB-1ulvA:
undetectable
6dwdD-1ulvA:
undetectable		 6dwdB-1ulvA:
19.45
6dwdD-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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		4 GLY A 232
ASN A 233
ASP A 132
ARG A 243
 SAM  A 301 (-3.2A)
None
None
None
 1.20A 6dwdB-1x7pA:
undetectable
6dwdD-1x7pA:
undetectable		 6dwdB-1x7pA:
19.89
6dwdD-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 GLY A 769
ASP A 378
ARG A 449
ARG A 444
 None
 1.24A 6dwdB-1x9nA:
undetectable
6dwdD-1x9nA:
undetectable		 6dwdB-1x9nA:
21.10
6dwdD-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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLY A 953
ASP A 950
ARG A 955
ARG A 954
 None
 1.39A 6dwdB-1yq2A:
undetectable
6dwdD-1yq2A:
undetectable		 6dwdB-1yq2A:
19.07
6dwdD-1yq2A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 GLY A 496
ASN A 499
ASP A 498
ARG A 491
 None
 0.86A 6dwdB-1yt8A:
undetectable
6dwdD-1yt8A:
undetectable		 6dwdB-1yt8A:
21.05
6dwdD-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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		4 GLY A  53
ASN A  52
ASP A  51
ARG A 100
 None
None
None
GOL  A1006 (-2.7A)
 1.37A 6dwdB-2bwaA:
undetectable
6dwdD-2bwaA:
undetectable		 6dwdB-2bwaA:
16.82
6dwdD-2bwaA:
16.82
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.
2e9q 11S GLOBULIN SUBUNIT
BETA

(Cucurbita
maxima) 		PF00190
(Cupin_1) 		4 GLY A 291
ASN A 289
ARG A 292
ARG A 132
 None
 1.24A 6dwdB-2e9qA:
undetectable
6dwdD-2e9qA:
undetectable		 6dwdB-2e9qA:
20.70
6dwdD-2e9qA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		4 GLY A  76
ASN A  77
ASP A  75
ARG A  73
 None
 1.31A 6dwdB-2eidA:
undetectable
6dwdD-2eidA:
undetectable		 6dwdB-2eidA:
21.84
6dwdD-2eidA:
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		4 GLY A  42
ASN A  38
ASP A  36
ARG A  19
 None
None
NAD  A 300 (-2.8A)
None
 1.25A 6dwdB-2gdzA:
undetectable
6dwdD-2gdzA:
undetectable		 6dwdB-2gdzA:
21.84
6dwdD-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 GLY A  63
ASP A 120
ARG A  64
ARG A  67
 CD  A 202 ( 4.4A)
CD  A 202 (-2.2A)
None
None
 1.24A 6dwdB-2hz2A:
undetectable
6dwdD-2hz2A:
undetectable		 6dwdB-2hz2A:
14.25
6dwdD-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 GLY A 423
ASP A 422
ARG A 420
ARG A 419
 None
 1.33A 6dwdB-2i4nA:
undetectable
6dwdD-2i4nA:
undetectable		 6dwdB-2i4nA:
24.28
6dwdD-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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 4 GLY A 231
ASN A 210
ASP A 209
ARG A 230
 None
 1.16A 6dwdB-2invA:
undetectable
6dwdD-2invA:
undetectable		 6dwdB-2invA:
21.97
6dwdD-2invA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh1 MICRONEMAL PROTEIN 1

(Toxoplasma
gondii) 		PF10564
(MAR_sialic_bdg) 		4 GLY A 193
ASP A 199
ARG A 192
ARG A 191
 None
 1.37A 6dwdB-2jh1A:
undetectable
6dwdD-2jh1A:
undetectable		 6dwdB-2jh1A:
17.40
6dwdD-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.
2lb5 SENSOR HISTIDINE
KINASE

(Synechococcus
sp.
JA-2-3B'a(2-13)) 		PF01590
(GAF) 		4 GLY A  71
ASP A  49
ARG A  69
ARG A  73
 None
 1.40A 6dwdB-2lb5A:
undetectable
6dwdD-2lb5A:
undetectable		 6dwdB-2lb5A:
15.43
6dwdD-2lb5A:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox7 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF09643
(YopX) 		4 GLY A 135
ASN A 136
ASP A  85
ARG A   8
 None
 1.04A 6dwdB-2ox7A:
undetectable
6dwdD-2ox7A:
undetectable		 6dwdB-2ox7A:
14.34
6dwdD-2ox7A:
14.34
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.
2p84 ORF041

(Staphylococcus
virus 37) 		PF09643
(YopX) 		4 GLY A 120
ASN A 121
ASP A  76
ARG A   8
 None
 1.00A 6dwdB-2p84A:
undetectable
6dwdD-2p84A:
undetectable		 6dwdB-2p84A:
12.80
6dwdD-2p84A:
12.80
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		4 GLY A 174
ASP A 173
ARG A 171
ARG A 177
 None
 1.35A 6dwdB-2pg8A:
undetectable
6dwdD-2pg8A:
undetectable		 6dwdB-2pg8A:
21.39
6dwdD-2pg8A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdr UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF14499
(DUF4437) 		4 GLY A  32
ASN A 214
ARG A  33
ARG A  31
 None
 1.27A 6dwdB-2qdrA:
undetectable
6dwdD-2qdrA:
undetectable		 6dwdB-2qdrA:
19.73
6dwdD-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.
2qyz UNCHARACTERIZED
PROTEIN

(Clostridium
tetani) 		PF09643
(YopX) 		4 GLY A 120
ASN A 121
ASP A  70
ARG A  10
 None
 1.06A 6dwdB-2qyzA:
undetectable
6dwdD-2qyzA:
undetectable		 6dwdB-2qyzA:
11.75
6dwdD-2qyzA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		4 GLY A 271
ASN A 315
ASP A 321
ARG A 322
 None
 1.37A 6dwdB-2r05A:
undetectable
6dwdD-2r05A:
undetectable		 6dwdB-2r05A:
22.28
6dwdD-2r05A:
22.28
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.
2rl0 FIBRONECTIN

(Homo sapiens) 		PF00039
(fn1) 		4 GLY A 231
ASN A 232
ARG A 197
ARG A 234
 None
 1.40A 6dwdB-2rl0A:
undetectable
6dwdD-2rl0A:
undetectable		 6dwdB-2rl0A:
10.35
6dwdD-2rl0A:
10.35
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.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 GLY A  28
ASN A  27
ASP A  31
ARG A  30
 None
 1.27A 6dwdB-2tptA:
undetectable
6dwdD-2tptA:
undetectable		 6dwdB-2tptA:
21.81
6dwdD-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.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 GLY A 273
ASN A 272
ASP A 271
ARG A 589
 None
 0.74A 6dwdB-2vxoA:
undetectable
6dwdD-2vxoA:
undetectable		 6dwdB-2vxoA:
23.76
6dwdD-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 GLY A 444
ASN A 403
ARG A 436
ARG A 445
 None
 1.38A 6dwdB-2ww2A:
undetectable
6dwdD-2ww2A:
undetectable		 6dwdB-2ww2A:
21.24
6dwdD-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 GLY 1 102
ASN 1 104
ASP 1 103
ARG 3 220
 None
 1.13A 6dwdB-2wzr1:
undetectable
6dwdD-2wzr1:
undetectable		 6dwdB-2wzr1:
18.23
6dwdD-2wzr1:
18.23
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLY A  64
ASN A  61
ASP A  77
ARG A  66
 None
 1.38A 6dwdB-2xkrA:
undetectable
6dwdD-2xkrA:
undetectable		 6dwdB-2xkrA:
21.34
6dwdD-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.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		4 GLY A 266
ASN A 146
ARG A 290
ARG A 271
 None
 1.39A 6dwdB-2zuyA:
undetectable
6dwdD-2zuyA:
undetectable		 6dwdB-2zuyA:
21.42
6dwdD-2zuyA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zx0 CSL3

(Oncorhynchus
keta) 		PF02140
(Gal_Lectin) 		4 ASN A 126
ASP A 189
ARG A 129
ARG A 130
 None
 1.22A 6dwdB-2zx0A:
undetectable
6dwdD-2zx0A:
undetectable		 6dwdB-2zx0A:
14.86
6dwdD-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.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		4 GLY A 365
ASN A 362
ASP A 364
ARG A 363
 None
 1.40A 6dwdB-3ahxA:
undetectable
6dwdD-3ahxA:
undetectable		 6dwdB-3ahxA:
21.33
6dwdD-3ahxA:
21.33
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 GLY A 175
ASN A 171
ASP A 176
ARG A 142
 None
 1.20A 6dwdB-3cq5A:
undetectable
6dwdD-3cq5A:
undetectable		 6dwdB-3cq5A:
20.32
6dwdD-3cq5A:
20.32
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.
3cxb PROTEIN SIFA

(Salmonella
enterica) 		PF06767
(Sif) 		4 ASN A  88
ASP A  93
ARG A 150
ARG A 151
 None
 0.94A 6dwdB-3cxbA:
undetectable
6dwdD-3cxbA:
undetectable		 6dwdB-3cxbA:
21.86
6dwdD-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 GLY A 211
ASN A 214
ARG A 210
ARG A 169
 None
 1.25A 6dwdB-3dcdA:
undetectable
6dwdD-3dcdA:
undetectable		 6dwdB-3dcdA:
20.00
6dwdD-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.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 GLY A 211
ASN A 214
ASP A 213
ARG A 210
 None
 1.38A 6dwdB-3dcdA:
undetectable
6dwdD-3dcdA:
undetectable		 6dwdB-3dcdA:
20.00
6dwdD-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 GLY A 164
ASP A 171
ARG A 166
ARG A 165
 None
 1.23A 6dwdB-3dg7A:
undetectable
6dwdD-3dg7A:
undetectable		 6dwdB-3dg7A:
19.50
6dwdD-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 GLY A 235
ASN A 236
ASP A 205
ARG A 234
 None
 1.31A 6dwdB-3e0fA:
undetectable
6dwdD-3e0fA:
undetectable		 6dwdB-3e0fA:
19.02
6dwdD-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.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 GLY A 269
ASN A 283
ASP A 280
ARG A 266
 None
None
None
AT2  A 906 (-3.6A)
 1.32A 6dwdB-3e7gA:
undetectable
6dwdD-3e7gA:
undetectable		 6dwdB-3e7gA:
22.02
6dwdD-3e7gA:
22.02
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.
3efy CIF (CELL CYCLE
INHIBITING FACTOR)

(Escherichia
coli) 		PF16374
(CIF) 		4 GLY A 240
ASN A 241
ASP A 239
ARG A 194
 None
 1.37A 6dwdB-3efyA:
undetectable
6dwdD-3efyA:
undetectable		 6dwdB-3efyA:
16.04
6dwdD-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.
3fe2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX5

(Homo sapiens) 		PF00270
(DEAD) 		4 GLY A 167
ASN A 238
ARG A 241
ARG A 240
 None
 1.32A 6dwdB-3fe2A:
undetectable
6dwdD-3fe2A:
undetectable		 6dwdB-3fe2A:
20.53
6dwdD-3fe2A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 GLY A 334
ASP A 339
ARG A 347
ARG A 348
 None
 1.22A 6dwdB-3fw6A:
undetectable
6dwdD-3fw6A:
undetectable		 6dwdB-3fw6A:
23.08
6dwdD-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 GLY A  21
ASP A  18
ARG A  22
ARG A  23
 None
 1.16A 6dwdB-3hx1A:
undetectable
6dwdD-3hx1A:
undetectable		 6dwdB-3hx1A:
14.00
6dwdD-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 GLY A 113
ASP A 110
ARG A 115
ARG A 114
 None
 1.35A 6dwdB-3i1cA:
undetectable
6dwdD-3i1cA:
undetectable		 6dwdB-3i1cA:
19.86
6dwdD-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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 158
ASN A 274
ASP A 159
ARG A  42
 None
 1.39A 6dwdB-3il3A:
undetectable
6dwdD-3il3A:
undetectable		 6dwdB-3il3A:
20.50
6dwdD-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 GLY A  31
ASN A 179
ARG A  30
ARG A 141
 None
 1.37A 6dwdB-3koyA:
undetectable
6dwdD-3koyA:
undetectable		 6dwdB-3koyA:
21.13
6dwdD-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.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		4 GLY A 228
ASN A 221
ASP A 225
ARG A 633
 None
 1.33A 6dwdB-3nxpA:
undetectable
6dwdD-3nxpA:
undetectable		 6dwdB-3nxpA:
22.48
6dwdD-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.
3og9 PROTEIN YAHD A
COPPER INDUCIBLE
HYDROLASE

(Lactococcus
lactis) 		PF01738
(DLH) 		4 GLY A  24
ASN A  55
ASP A  25
ARG A  46
 None
 1.36A 6dwdB-3og9A:
undetectable
6dwdD-3og9A:
undetectable		 6dwdB-3og9A:
17.46
6dwdD-3og9A:
17.46
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		4 GLY A 125
ASN A 126
ASP A 124
ARG A 122
 None
 1.38A 6dwdB-3p2mA:
undetectable
6dwdD-3p2mA:
undetectable		 6dwdB-3p2mA:
24.60
6dwdD-3p2mA:
24.60
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 GLY L  15
ASN L  35
ASP L  13
ARG L  17
 None
 1.37A 6dwdB-3rgwL:
undetectable
6dwdD-3rgwL:
undetectable		 6dwdB-3rgwL:
22.31
6dwdD-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 GLY X 311
ASP X 310
ARG X 313
ARG X 312
 None
None
SO4  X 995 (-2.7A)
None
 1.29A 6dwdB-3rwkX:
undetectable
6dwdD-3rwkX:
undetectable		 6dwdB-3rwkX:
21.52
6dwdD-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 GLY A 436
ASP A 434
ARG A 466
ARG A 463
 None
None
ANP  A 800 (-2.5A)
None
 1.39A 6dwdB-3sqwA:
undetectable
6dwdD-3sqwA:
undetectable		 6dwdB-3sqwA:
22.45
6dwdD-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.
3tkn NUCLEOPORIN NUP82
NUCLEOPORIN 98

(Saccharomyces
cerevisiae;
Mus musculus) 		no annotation
PF04096
(Nucleoporin2) 		4 GLY A 203
ASN A 198
ASP A 204
ARG C 851
 None
 1.39A 6dwdB-3tknA:
undetectable
6dwdD-3tknA:
undetectable		 6dwdB-3tknA:
22.34
6dwdD-3tknA:
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.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		4 GLY A 266
ASN A 265
ASP A 262
ARG A 248
 None
 1.30A 6dwdB-3vnkA:
undetectable
6dwdD-3vnkA:
undetectable		 6dwdB-3vnkA:
18.66
6dwdD-3vnkA:
18.66
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.
4chb KELCH-LIKE PROTEIN 2

(Homo sapiens) 		PF01344
(Kelch_1) 		4 GLY A 363
ASN A 362
ARG A 345
ARG A 343
 None
SO4  A1596 ( 3.9A)
None
SO4  A1596 (-3.0A)
 1.29A 6dwdB-4chbA:
undetectable
6dwdD-4chbA:
undetectable		 6dwdB-4chbA:
19.13
6dwdD-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 ASN A 281
ASP A 280
ARG A 304
ARG A 278
 None
 1.36A 6dwdB-4eayA:
undetectable
6dwdD-4eayA:
undetectable		 6dwdB-4eayA:
23.74
6dwdD-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.
4f6o METACASPASE-1

(Saccharomyces
cerevisiae) 		PF00656
(Peptidase_C14) 		4 GLY A 134
ASP A 211
ARG A 136
ARG A 135
 None
 1.38A 6dwdB-4f6oA:
undetectable
6dwdD-4f6oA:
undetectable		 6dwdB-4f6oA:
20.36
6dwdD-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.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 GLY A 423
ASN A 355
ARG A 424
ARG A 425
 None
 1.28A 6dwdB-4fl0A:
undetectable
6dwdD-4fl0A:
undetectable		 6dwdB-4fl0A:
24.19
6dwdD-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 GLY A 158
ASP A 157
ARG A  90
ARG A 162
 None
 1.13A 6dwdB-4gd5A:
undetectable
6dwdD-4gd5A:
undetectable		 6dwdB-4gd5A:
19.00
6dwdD-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.
4hga HISTONE H3.3

(Homo sapiens) 		PF00125
(Histone) 		4 GLY B 132
ASP B 106
ARG B 128
ARG B 134
 None
 1.39A 6dwdB-4hgaB:
undetectable
6dwdD-4hgaB:
undetectable		 6dwdB-4hgaB:
13.04
6dwdD-4hgaB:
13.04
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 GLY A 363
ASN A 364
ASP A 361
ARG A 365
 SO4  A 734 ( 3.7A)
None
None
None
 1.30A 6dwdB-4jcmA:
undetectable
6dwdD-4jcmA:
undetectable		 6dwdB-4jcmA:
21.64
6dwdD-4jcmA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2u ANTIBODY HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY H  55
ASN H  56
ASP H  52
ARG H  50
 None
None
None
SO4  H 303 (-3.3A)
 1.39A 6dwdB-4k2uH:
undetectable
6dwdD-4k2uH:
undetectable		 6dwdB-4k2uH:
17.32
6dwdD-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.
4m29 BETA-XYLOSIDASE

(Caulobacter
vibrioides) 		PF01229
(Glyco_hydro_39) 		4 GLY A  55
ASN A 358
ASP A  27
ARG A  24
 None
 1.40A 6dwdB-4m29A:
undetectable
6dwdD-4m29A:
undetectable		 6dwdB-4m29A:
21.77
6dwdD-4m29A:
21.77
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.
4max CYANOGLOBIN

(Synechococcus
sp. PCC 7002) 		PF01152
(Bac_globin) 		4 GLY A  63
ASP A 120
ARG A  64
ARG A  67
 None
 1.35A 6dwdB-4maxA:
undetectable
6dwdD-4maxA:
undetectable		 6dwdB-4maxA:
14.45
6dwdD-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 GLY A 157
ASN A 138
ASP A 139
ARG A 162
 None
 1.37A 6dwdB-4novA:
undetectable
6dwdD-4novA:
undetectable		 6dwdB-4novA:
20.45
6dwdD-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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		4 GLY A 316
ASN A 233
ASP A 320
ARG A 250
 None
 1.28A 6dwdB-4r2fA:
undetectable
6dwdD-4r2fA:
undetectable		 6dwdB-4r2fA:
23.61
6dwdD-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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 GLY A 436
ASP A 434
ARG A 466
ARG A 463
 None
A  B   3 ( 4.5A)
BEF  A 602 (-3.0A)
None
 1.33A 6dwdB-4tz0A:
undetectable
6dwdD-4tz0A:
undetectable		 6dwdB-4tz0A:
22.00
6dwdD-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.
4uer EIF1A

(Lachancea
kluyveri) 		PF01176
(eIF-1a) 		4 GLY 0  54
ASN 0  55
ASP 0  53
ARG 0  57
 None
 1.37A 6dwdB-4uer0:
undetectable
6dwdD-4uer0:
undetectable		 6dwdB-4uer0:
11.43
6dwdD-4uer0:
11.43
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.
4whn APXC

(Actinobacillus
pleuropneumoniae) 		PF02794
(HlyC) 		4 GLY A  86
ASN A  62
ARG A  88
ARG A  89
 None
 1.40A 6dwdB-4whnA:
undetectable
6dwdD-4whnA:
undetectable		 6dwdB-4whnA:
16.91
6dwdD-4whnA:
16.91
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		4 GLY A 157
ASN A 159
ASP A 158
ARG A 154
 None
 1.35A 6dwdB-4yfmA:
undetectable
6dwdD-4yfmA:
undetectable		 6dwdB-4yfmA:
20.47
6dwdD-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.
5aih LIMONENE-1,2-EPOXIDE
HYDROLASE

(unidentified) 		PF07858
(LEH) 		4 GLY A  21
ASP A  20
ARG A  43
ARG A  47
 None
EDO  A 304 ( 2.8A)
DMS  A 202 (-3.8A)
EDO  A 304 (-4.5A)
 1.17A 6dwdB-5aihA:
undetectable
6dwdD-5aihA:
undetectable		 6dwdB-5aihA:
13.41
6dwdD-5aihA:
13.41
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.
5bz0 REPLICASE
POLYPROTEIN 1AB

(Avian
coronavirus) 		PF08715
(Viral_protease) 		4 GLY A  99
ASN A 100
ASP A  98
ARG A  97
 None
 1.35A 6dwdB-5bz0A:
undetectable
6dwdD-5bz0A:
undetectable		 6dwdB-5bz0A:
19.38
6dwdD-5bz0A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfw SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		4 GLY H 289
ASN H 290
ASP H 253
ARG H 251
 None
 1.38A 6dwdB-5dfwH:
undetectable
6dwdD-5dfwH:
undetectable		 6dwdB-5dfwH:
17.77
6dwdD-5dfwH:
17.77
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.
5eb2 YFIR

(Pseudomonas
aeruginosa) 		PF13689
(DUF4154) 		4 GLY A  91
ASN A  90
ARG A  93
ARG A  92
 None
 1.24A 6dwdB-5eb2A:
undetectable
6dwdD-5eb2A:
undetectable		 6dwdB-5eb2A:
14.05
6dwdD-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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 501
ASN A 500
ASP A 502
ARG A 568
 None
 1.37A 6dwdB-5fr8A:
undetectable
6dwdD-5fr8A:
undetectable		 6dwdB-5fr8A:
21.95
6dwdD-5fr8A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 GLY A 196
ASP A 197
ARG A 191
ARG A 192
 None
 1.38A 6dwdB-5gl9A:
undetectable
6dwdD-5gl9A:
undetectable		 6dwdB-5gl9A:
20.72
6dwdD-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 GLY A 269
ASN A 268
ARG A 272
ARG A 273
 None
 1.24A 6dwdB-5h9mA:
undetectable
6dwdD-5h9mA:
undetectable		 6dwdB-5h9mA:
15.79
6dwdD-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 GLY B 103
ASN B 102
ARG B 106
ARG B 105
 None
 1.18A 6dwdB-5k5aB:
undetectable
6dwdD-5k5aB:
undetectable		 6dwdB-5k5aB:
21.56
6dwdD-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.
5l09 QUORUM-SENSING
TRANSCRIPTIONAL
ACTIVATOR

(Yersinia
enterocolitica) 		PF03472
(Autoind_bind) 		4 GLY A 129
ASN A 128
ASP A 131
ARG A  30
 SO4  A 202 (-3.6A)
None
SO4  A 202 ( 4.3A)
ACY  A 206 ( 3.1A)
 1.30A 6dwdB-5l09A:
undetectable
6dwdD-5l09A:
undetectable		 6dwdB-5l09A:
16.27
6dwdD-5l09A:
16.27
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 GLY A 223
ASN A 224
ASP A 267
ARG A  93
 None
6S6  A 613 (-2.9A)
None
6S6  A 613 ( 4.9A)
 1.30A 6dwdB-5la7A:
undetectable
6dwdD-5la7A:
undetectable		 6dwdB-5la7A:
19.73
6dwdD-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.
5lnk MITOCHONDRIAL
COMPLEX I, B14.5B
SUBUNIT

(Ovis aries) 		no annotation 4 GLY o  42
ASN o  46
ASP o  45
ARG o  60
 None
None
None
3PE  o 203 (-3.3A)
 1.40A 6dwdB-5lnko:
undetectable
6dwdD-5lnko:
undetectable		 6dwdB-5lnko:
13.13
6dwdD-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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 GLY A 179
ASN A 178
ARG A 138
ARG A 177
 None
 1.37A 6dwdB-5mqzA:
undetectable
6dwdD-5mqzA:
undetectable		 6dwdB-5mqzA:
undetectable
6dwdD-5mqzA:
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 GLY A  40
ASP A  42
ARG A  38
ARG A  43
 None
 1.22A 6dwdB-5n4lA:
undetectable
6dwdD-5n4lA:
undetectable		 6dwdB-5n4lA:
undetectable
6dwdD-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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 GLY A 397
ASN A 395
ASP A 396
ARG A 427
 None
 1.27A 6dwdB-5ujuA:
undetectable
6dwdD-5ujuA:
undetectable		 6dwdB-5ujuA:
24.56
6dwdD-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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 GLY A 442
ASP A 438
ARG A 444
ARG A 443
 None
 1.12A 6dwdB-5wkaA:
undetectable
6dwdD-5wkaA:
undetectable		 6dwdB-5wkaA:
undetectable
6dwdD-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 GLY A 209
ASP A 208
ARG A 212
ARG A 237
 None
 1.15A 6dwdB-5xgwA:
undetectable
6dwdD-5xgwA:
undetectable		 6dwdB-5xgwA:
undetectable
6dwdD-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.
5yy3 -

(-) 		no annotation 4 GLY A 591
ASN A 597
ARG A 590
ARG A 598
 None
 1.38A 6dwdB-5yy3A:
undetectable
6dwdD-5yy3A:
undetectable		 6dwdB-5yy3A:
undetectable
6dwdD-5yy3A:
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus) 		no annotation 4 GLY A 171
ASN A 170
ASP A 169
ARG A 167
 None
 1.35A 6dwdB-5zm4A:
undetectable
6dwdD-5zm4A:
undetectable		 6dwdB-5zm4A:
undetectable
6dwdD-5zm4A:
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.
6db7 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 1334 FAB
HEAVY CHAIN
HIV-1 GP120 V3
PEPTIDE FROM MN
STRAIN

(Homo sapiens;
Human
immunodeficiency
virus 1) 		no annotation
no annotation 		4 GLY H  52
ASN H  52
ASP H  53
ARG P 315
 None
 1.27A 6dwdB-6db7H:
undetectable
6dwdD-6db7H:
undetectable		 6dwdB-6db7H:
undetectable
6dwdD-6db7H:
undetectable