SIMILAR PATTERNS OF AMINO ACIDS FOR 6NQA_K_SAMK500

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.
1fsh DISHEVELLED-1

(Mus musculus) 		PF00610
(DEP) 		5 GLY A  84
GLY A 104
GLN A  29
VAL A  25
LYS A  92
 None
 1.29A 6nqaK-1fshA:
undetectable		 6nqaK-1fshA:
11.74
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
ASP A  39
GLY A  41
GLY A  43
VAL A  47
 SAH  A 801 (-3.7A)
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.9A)
 0.75A 6nqaK-1l3iA:
10.4		 6nqaK-1l3iA:
19.14
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.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 GLY A  13
GLY A  43
GLN A  23
VAL A  19
GLU A  12
 None
 1.15A 6nqaK-1lbuA:
undetectable		 6nqaK-1lbuA:
18.89
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 THR A  29
ASP A  54
GLY A  56
GLY A  58
ASN A 114
 None
 0.71A 6nqaK-1ne2A:
10.5		 6nqaK-1ne2A:
17.92
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.
1o60 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Haemophilus
influenzae) 		PF00793
(DAHP_synth_1) 		5 THR A  94
GLY A  73
GLY A  77
VAL A 105
GLU A  76
 None
 1.24A 6nqaK-1o60A:
undetectable		 6nqaK-1o60A:
22.25
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		5 GLY A 177
GLY A 169
GLN A 211
GLU A 168
LYS A 136
 None
 1.48A 6nqaK-1qwgA:
undetectable		 6nqaK-1qwgA:
19.91
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 ASP A 127
GLY A 129
GLY A 131
ASN A 197
PHE A 228
 SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
None
 1.12A 6nqaK-1sg9A:
8.0		 6nqaK-1sg9A:
23.31
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 THR A 106
ASP A 127
GLY A 129
ASN A 197
PHE A 228
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
GLN  A 400 ( 3.1A)
None
 1.48A 6nqaK-1sg9A:
8.0		 6nqaK-1sg9A:
23.31
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 ASP A 397
GLY A 399
GLY A 401
ASN A 479
PHE A 483
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.7A)
 0.65A 6nqaK-1u2zA:
21.1		 6nqaK-1u2zA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 THR A  30
ASP A  55
GLY A  57
GLY A  59
ASN A 119
 SAH  A1001 (-4.0A)
SAH  A1001 ( 4.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.6A)
 0.71A 6nqaK-1wy7A:
10.8		 6nqaK-1wy7A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		5 THR A 267
GLY A 205
GLY A 204
VAL A 185
PHE A  48
 None
 1.48A 6nqaK-1xcrA:
undetectable		 6nqaK-1xcrA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 330
GLY A  71
GLY A  48
VAL A 353
GLU A  73
 None
 1.22A 6nqaK-1yqdA:
4.4		 6nqaK-1yqdA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5x RIBOSOME-INACTIVATIN
G PROTEIN

(Silene
chalcedonica) 		PF00161
(RIP) 		5 GLY A  72
VAL A 157
GLU A  91
ASN A  86
PHE A 103
 None
 1.24A 6nqaK-2g5xA:
undetectable		 6nqaK-2g5xA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 257
GLY A 252
GLY A 240
GLU A 242
ASN A 254
 None
 1.20A 6nqaK-2glxA:
undetectable		 6nqaK-2glxA:
22.25
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 ASP A  71
GLY A  73
GLY A  75
ASN A 147
PHE A 190
 SAH  A 300 ( 4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.9A)
SAH  A 300 (-4.9A)
 0.89A 6nqaK-2h00A:
9.8		 6nqaK-2h00A:
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 THR A 360
GLY A 413
GLY A 409
VAL A 405
GLU A 412
 None
 1.27A 6nqaK-2i4nA:
undetectable		 6nqaK-2i4nA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhq UNKNOWN FUNCTION
PROTEIN VPA0580

(Vibrio
parahaemolyticus) 		PF08888
(HopJ) 		5 THR A  50
GLY A 108
GLY A 111
GLU A 110
ASN A 103
 None
MLY  A  74 ( 3.4A)
None
None
None
 1.00A 6nqaK-2qhqA:
undetectable		 6nqaK-2qhqA:
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ASP A 360
GLY A 358
GLY A 325
VAL A 368
PHE A 288
 None
 1.00A 6nqaK-2qygA:
undetectable		 6nqaK-2qygA:
22.95
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 THR 1 105
GLY 1  64
GLY 1  58
GLU 1  59
ASN 1  40
 GDP  1 339 (-4.3A)
None
None
None
GDP  1 339 ( 4.4A)
 1.28A 6nqaK-2r6r1:
undetectable		 6nqaK-2r6r1:
21.35
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.
2vpw THIOSULFATE
REDUCTASE
NRFC PROTEIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF13247
(Fer4_11) 		5 GLY A  67
GLY A  76
GLN A 220
GLU B 133
ASN A  71
 None
 1.49A 6nqaK-2vpwA:
undetectable		 6nqaK-2vpwA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 THR A 107
ASP A 126
GLY A 128
GLY A 130
ASN A 191
 SAH  A 258 (-2.9A)
SAH  A 258 ( 3.9A)
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 ( 3.8A)
 0.97A 6nqaK-3cjtA:
8.5		 6nqaK-3cjtA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 THR A 232
ASP A 254
GLY A 256
GLY A 258
VAL A 262
 None
None
None
CL  A   1 ( 4.7A)
None
 0.84A 6nqaK-3e05A:
11.3		 6nqaK-3e05A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Vibrio cholerae) 		PF00793
(DAHP_synth_1) 		5 THR A  94
GLY A  73
GLY A  77
VAL A 105
GLU A  76
 None
 1.24A 6nqaK-3e9aA:
undetectable		 6nqaK-3e9aA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 THR A 163
ASP A 182
GLY A 184
GLY A 186
ASN A 248
 None
None
GOL  A 322 ( 3.7A)
None
None
 1.08A 6nqaK-3grzA:
8.8		 6nqaK-3grzA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR PRP5

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		5 THR K 264
GLY K 249
GLY K 224
VAL K 229
GLU K 225
 None
 1.25A 6nqaK-3jb9K:
undetectable		 6nqaK-3jb9K:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7p FN1 PROTEIN

(Homo sapiens) 		PF00039
(fn1)
PF00040
(fn2) 		5 THR A 507
GLY A 502
GLY A 504
VAL A 499
GLU A 467
 None
None
None
None
ZN  A 953 (-2.0A)
 1.25A 6nqaK-3m7pA:
undetectable		 6nqaK-3m7pA:
18.35
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.
3m7p FN1 PROTEIN

(Homo sapiens) 		PF00039
(fn1)
PF00040
(fn2) 		5 THR A 524
GLY A 502
GLY A 504
VAL A 499
GLU A 467
 None
None
None
None
ZN  A 953 (-2.0A)
 1.04A 6nqaK-3m7pA:
undetectable		 6nqaK-3m7pA:
18.35
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		5 GLY A 495
GLY A  34
VAL A  14
GLU A  35
ASN A 498
 None
 1.29A 6nqaK-3n2oA:
undetectable		 6nqaK-3n2oA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 ASP A  40
GLY A  42
GLY A  44
VAL A  48
GLU A  63
 SAH  A 300 ( 4.8A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
None
SAH  A 300 (-2.6A)
 0.89A 6nqaK-3njrA:
11.0		 6nqaK-3njrA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 THR A  18
ASP A  40
GLY A  42
GLY A  44
VAL A  48
 SAH  A 300 (-3.8A)
SAH  A 300 ( 4.8A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
None
 0.89A 6nqaK-3njrA:
11.0		 6nqaK-3njrA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvt 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE SYNTHASE

(Listeria
monocytogenes) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		5 GLY A 170
GLN A 133
VAL A 134
GLU A 169
PHE A 154
 None
 1.10A 6nqaK-3nvtA:
undetectable		 6nqaK-3nvtA:
20.93
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 182
GLY A 127
GLN A 136
GLU A 128
PHE A 233
 None
 1.13A 6nqaK-3oecA:
undetectable		 6nqaK-3oecA:
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.
3p2y ALANINE
DEHYDROGENASE/PYRIDI
NE NUCLEOTIDE
TRANSHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ASP A 193
GLY A 170
GLY A 172
GLN A 201
VAL A 198
 None
 1.33A 6nqaK-3p2yA:
4.4		 6nqaK-3p2yA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfi TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF03816
(LytR_cpsA_psr) 		5 ASP A 206
GLY A 205
GLY A 208
GLN A 213
GLU A 204
 None
 1.38A 6nqaK-3qfiA:
undetectable		 6nqaK-3qfiA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ASP A 248
GLY A 256
GLN A 120
VAL A 251
ASN A 172
 None
 1.26A 6nqaK-3rftA:
3.0		 6nqaK-3rftA:
20.73
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 THR A 195
GLY A 165
GLY A 167
GLN A 191
GLU A 166
 None
 1.48A 6nqaK-3ummA:
undetectable		 6nqaK-3ummA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v5n OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 338
GLY A 334
GLN A 292
GLU A 337
ASN A 146
 None
 1.23A 6nqaK-3v5nA:
undetectable		 6nqaK-3v5nA:
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 440
GLY A 124
VAL A 483
GLU A 166
ASN A 449
 None
 1.14A 6nqaK-3zz1A:
undetectable		 6nqaK-3zz1A:
19.46
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 THR A 111
GLY A  65
GLY A  59
VAL A  68
ASN A  38
 GDP  A1368 (-4.3A)
None
None
None
GDP  A1368 ( 4.2A)
 1.42A 6nqaK-4b46A:
undetectable		 6nqaK-4b46A:
21.78
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.
4dyv SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF00106
(adh_short) 		5 THR A 188
ASP A 206
GLY A 163
ASN A 161
PHE A 107
 None
 1.45A 6nqaK-4dyvA:
undetectable		 6nqaK-4dyvA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		6 ASP A 161
GLY A 163
GLY A 165
VAL A 169
ASN A 241
PHE A 245
 AW2  A 502 (-2.9A)
AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-4.4A)
AW2  A 502 (-4.3A)
AW2  A 502 (-4.3A)
 0.55A 6nqaK-4er6A:
33.9		 6nqaK-4er6A:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 ASP A 161
GLY A 165
VAL A 169
GLU A 186
PHE A 245
 AW2  A 502 (-2.9A)
AW2  A 502 (-3.5A)
AW2  A 502 (-4.4A)
AW2  A 502 (-2.6A)
AW2  A 502 (-4.3A)
 0.94A 6nqaK-4er6A:
33.9		 6nqaK-4er6A:
99.76
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 225
GLY A 268
VAL A 285
GLU A 224
PHE A 244
 None
GOL  A 501 ( 4.0A)
None
GOL  A 501 (-3.9A)
None
 1.43A 6nqaK-4f7kA:
undetectable		 6nqaK-4f7kA:
20.82
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.
4i7z APOCYTOCHROME F

(Mastigocladus
laminosus) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 GLY C 214
GLY C  65
LYS C 194
ASN C 169
PHE C 172
 None
 1.46A 6nqaK-4i7zC:
undetectable		 6nqaK-4i7zC:
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 508
GLY A 155
VAL A 551
GLU A 197
ASN A 517
 None
None
None
None
NAG  A 925 (-3.0A)
 1.26A 6nqaK-4iigA:
undetectable		 6nqaK-4iigA:
18.74
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 257
GLY A 252
GLY A 240
GLU A 242
ASN A 254
 None
 1.20A 6nqaK-4koaA:
undetectable		 6nqaK-4koaA:
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.
4lds BICYCLOMYCIN
RESISTANCE PROTEIN
TCAB

(Staphylococcus
epidermidis) 		PF00083
(Sugar_tr) 		5 THR A 141
GLY A 349
GLY A 353
GLN A 137
ASN A 287
 None
 1.02A 6nqaK-4ldsA:
undetectable		 6nqaK-4ldsA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 ASP A  94
GLY A  95
GLY A  98
VAL A 125
GLU A  97
 None
 1.42A 6nqaK-4lryA:
undetectable		 6nqaK-4lryA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 ASP A 122
GLY A 155
GLY A 120
VAL A 129
LYS A 159
 None
 1.40A 6nqaK-4o89A:
undetectable		 6nqaK-4o89A:
21.43
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		5 THR A 236
GLY A 127
GLY A 126
VAL A 187
GLU A 125
 None
 1.38A 6nqaK-4uz1A:
undetectable		 6nqaK-4uz1A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzg SURFACE PROTEIN SPB1

(Streptococcus
agalactiae) 		no annotation 5 THR A 446
GLY A 417
GLY A 442
VAL A 456
GLU A 416
 None
EDO  A1471 (-3.2A)
None
None
None
 0.96A 6nqaK-4uzgA:
undetectable		 6nqaK-4uzgA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		5 THR A 236
GLY A 127
GLY A 126
VAL A 187
GLU A 125
 None
 1.35A 6nqaK-4wbhA:
undetectable		 6nqaK-4wbhA:
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.
4zdm GLUTAMATE RECEPTOR
KAINATE-LIKE PROTEIN

(Pleurobrachia
bachei) 		PF10613
(Lig_chan-Glu_bd) 		5 THR A 199
GLY A 177
GLY A 175
GLU A 176
PHE A 186
 None
 1.42A 6nqaK-4zdmA:
undetectable		 6nqaK-4zdmA:
20.14
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ASP A 130
GLY A 134
GLU A 135
ASN A 143
PHE A 259
 None
 1.42A 6nqaK-5bv9A:
undetectable		 6nqaK-5bv9A:
20.90
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ASP A  66
GLY A  68
GLY A  70
GLN A  73
PHE A 137
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
None
SAH  A 301 (-4.6A)
 1.04A 6nqaK-5dlyA:
8.0		 6nqaK-5dlyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ASP A  66
GLY A  68
GLY A  70
VAL A  74
PHE A 137
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
None
SAH  A 301 (-4.6A)
 0.85A 6nqaK-5dlyA:
8.0		 6nqaK-5dlyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 ASP A  65
GLY A  67
GLY A  69
GLN A  72
PHE A 135
 SAH  A 300 ( 4.4A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
None
SAH  A 300 ( 4.6A)
 1.04A 6nqaK-5dm4A:
8.8		 6nqaK-5dm4A:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		7 ASP A 161
GLY A 163
GLY A 165
VAL A 169
LYS A 187
ASN A 241
PHE A 245
 None
None
None
None
None
5F7  A 401 (-3.6A)
None
 0.80A 6nqaK-5dtrA:
33.5		 6nqaK-5dtrA:
92.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLN A 168
LYS A 187
PHE A 245
 None
 0.86A 6nqaK-5dtrA:
33.5		 6nqaK-5dtrA:
92.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 165
GLN A 168
GLU A 186
LYS A 187
PHE A 245
 None
 1.17A 6nqaK-5dtrA:
33.5		 6nqaK-5dtrA:
92.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 165
VAL A 169
GLU A 186
LYS A 187
PHE A 245
 None
 1.06A 6nqaK-5dtrA:
33.5		 6nqaK-5dtrA:
92.50
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 509
GLY A 156
VAL A 552
GLU A 198
ASN A 518
 None
None
None
None
NAG  A1501 (-3.4A)
 1.20A 6nqaK-5fjiA:
undetectable		 6nqaK-5fjiA:
19.98
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 520
GLY A 156
VAL A 552
GLU A 198
ASN A 518
 None
None
None
None
NAG  A1501 (-3.4A)
 1.49A 6nqaK-5fjiA:
undetectable		 6nqaK-5fjiA:
19.98
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.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		5 THR A 347
ASP A 375
GLY A 343
GLY A 322
GLU A 340
 None
 1.33A 6nqaK-5tf2A:
undetectable		 6nqaK-5tf2A:
20.13
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 THR A 177
GLY A 198
GLN A 181
ASN A 172
PHE A 229
 None
None
None
EDO  A 403 (-3.4A)
EDO  A 403 (-4.5A)
 1.41A 6nqaK-5w3wA:
undetectable		 6nqaK-5w3wA:
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 ASP A 180
GLY A 140
GLY A 144
GLU A 106
PHE A 161
 None
 1.16A 6nqaK-5xwqA:
undetectable		 6nqaK-5xwqA:
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.
6bxg TAIL-SPECIFIC
PROTEASE

(Vibrio cholerae) 		no annotation 5 GLY A 248
GLN A 306
VAL A 305
GLU A 247
LYS A 312
 None
IOD  A 408 (-3.9A)
None
IOD  A 410 ( 3.2A)
None
 1.32A 6nqaK-6bxgA:
undetectable		 6nqaK-6bxgA:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 THR A 282
GLY A 116
GLY A 319
GLU A 118
PHE A  35
 None
 1.08A 6nqaK-6d0nA:
undetectable		 6nqaK-6d0nA:
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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 5 THR A1064
GLY A1091
GLY A1093
GLU A1095
PHE A 559
 None
 1.46A 6nqaK-6d4jA:
2.6		 6nqaK-6d4jA:
undetectable