SIMILAR PATTERNS OF AMINO ACIDS FOR 6HQB_A_PQNA2001

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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)

(Malus domestica) 		PF00155
(Aminotran_1_2) 		5 ARG A 407
ALA A  46
LEU A 359
GLY A 358
LEU A  59
 None
 1.34A 6hqbA-1b8gA:
undetectable
6hqbJ-1b8gA:
0.0		 6hqbA-1b8gA:
12.41
6hqbJ-1b8gA:
7.40
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.
1dlp LECTIN SCAFET
PRECURSOR

(Hyacinthoides
hispanica) 		PF01453
(B_lectin) 		5 SER A  81
GLY A  82
TRP A 233
GLY A  66
LEU A 147
 None
 0.99A 6hqbA-1dlpA:
undetectable
6hqbJ-1dlpA:
undetectable		 6hqbA-1dlpA:
15.52
6hqbJ-1dlpA:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlp LECTIN SCAFET
PRECURSOR

(Hyacinthoides
hispanica) 		PF01453
(B_lectin) 		5 SER A  81
GLY A  82
TRP A 233
GLY A  66
LEU A 149
 None
 1.35A 6hqbA-1dlpA:
undetectable
6hqbJ-1dlpA:
undetectable		 6hqbA-1dlpA:
15.52
6hqbJ-1dlpA:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggp PROTEIN (LECTIN 1 A
CHAIN)

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 SER A 183
ALA A 186
LEU A 129
GLY A 130
LEU A 201
 None
 1.23A 6hqbA-1ggpA:
undetectable
6hqbJ-1ggpA:
0.0		 6hqbA-1ggpA:
16.23
6hqbJ-1ggpA:
11.50
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.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TRP A  52
GLY A  70
LEU A  61
GLY A  59
LEU A 370
 None
None
None
None
FAD  A 399 ( 4.6A)
 1.20A 6hqbA-1ivhA:
5.0
6hqbJ-1ivhA:
0.0		 6hqbA-1ivhA:
11.65
6hqbJ-1ivhA:
6.85
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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 MET A 648
GLY A 583
ALA A 617
LEU A 620
LEU A 533
 None
 1.10A 6hqbA-1mt0A:
undetectable
6hqbJ-1mt0A:
undetectable		 6hqbA-1mt0A:
18.67
6hqbJ-1mt0A:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		5 GLY A 226
TRP A 229
LEU A 221
GLY A 283
LEU A 152
 None
 1.44A 6hqbA-1n4oA:
undetectable
6hqbJ-1n4oA:
0.0		 6hqbA-1n4oA:
13.72
6hqbJ-1n4oA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 SER B 381
GLY B 382
ALA B  99
LEU B  98
GLY B 276
 None
 1.39A 6hqbA-1n60B:
undetectable
6hqbJ-1n60B:
0.0		 6hqbA-1n60B:
6.80
6hqbJ-1n60B:
3.96
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.
1pgs PEPTIDE-N(4)-(N-ACET
YL-BETA-D-GLUCOSAMIN
YL)ASPARAGINE
AMIDASE F

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 SER A 271
GLY A 270
ALA A 182
LEU A 264
LEU A 226
 None
 1.28A 6hqbA-1pgsA:
undetectable
6hqbJ-1pgsA:
undetectable		 6hqbA-1pgsA:
12.42
6hqbJ-1pgsA:
9.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 572
TRP A 573
ALA A 582
LEU A 581
GLY A 631
 None
 1.26A 6hqbA-1q3xA:
undetectable
6hqbJ-1q3xA:
undetectable		 6hqbA-1q3xA:
15.11
6hqbJ-1q3xA:
9.78
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 GLY A 540
ARG A 581
ALA A 714
GLY A 582
LEU A 776
 None
 1.31A 6hqbA-1qb4A:
2.1
6hqbJ-1qb4A:
undetectable		 6hqbA-1qb4A:
6.97
6hqbJ-1qb4A:
3.60
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		5 SER A 356
GLY A 359
TRP A 360
GLY A 340
LEU A 313
 None
 1.39A 6hqbA-1qvbA:
undetectable
6hqbJ-1qvbA:
undetectable		 6hqbA-1qvbA:
11.04
6hqbJ-1qvbA:
6.08
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 661
GLY A 653
ARG A 455
LEU A 651
GLY A 649
 None
 1.09A 6hqbA-1r8wA:
4.3
6hqbJ-1r8wA:
undetectable		 6hqbA-1r8wA:
7.26
6hqbJ-1r8wA:
4.38
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.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 284
GLY A 283
LEU A 262
GLY A 261
LEU A  13
 None
None
ETF  A 501 (-4.7A)
None
None
 1.45A 6hqbA-1rjwA:
undetectable
6hqbJ-1rjwA:
undetectable		 6hqbA-1rjwA:
12.87
6hqbJ-1rjwA:
7.67
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.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TRP A  49
SER A 284
GLY A 283
LEU A 262
GLY A 261
 None
None
None
ETF  A 501 (-4.7A)
None
 1.43A 6hqbA-1rjwA:
undetectable
6hqbJ-1rjwA:
undetectable		 6hqbA-1rjwA:
12.87
6hqbJ-1rjwA:
7.67
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.
1s4v CYSTEINE
ENDOPEPTIDASE

(Ricinus
communis) 		PF00112
(Peptidase_C1) 		5 MET A 197
GLY A 200
ALA A 211
LEU A 124
LEU A  54
 None
 1.21A 6hqbA-1s4vA:
undetectable
6hqbJ-1s4vA:
undetectable		 6hqbA-1s4vA:
15.28
6hqbJ-1s4vA:
10.67
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.
1umb 2-OXO ACID
DEHYDROGENASE BETA
SUBUNIT

(Thermus
thermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER B 119
GLY B 120
ARG B 175
GLY B 211
LEU B 285
 None
 1.42A 6hqbA-1umbB:
undetectable
6hqbJ-1umbB:
undetectable		 6hqbA-1umbB:
12.07
6hqbJ-1umbB:
8.41
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.
1vi6 30S RIBOSOMAL
PROTEIN S2P

(Archaeoglobus
fulgidus) 		PF00318
(Ribosomal_S2) 		5 GLY A  19
ALA A 168
LEU A 167
GLY A 163
LEU A 104
 None
 1.31A 6hqbA-1vi6A:
undetectable
6hqbJ-1vi6A:
undetectable		 6hqbA-1vi6A:
15.38
6hqbJ-1vi6A:
12.98
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 GLY A 245
ALA A 100
LEU A 127
GLY A 126
LEU A 316
 None
 0.95A 6hqbA-1wdtA:
undetectable
6hqbJ-1wdtA:
undetectable		 6hqbA-1wdtA:
7.20
6hqbJ-1wdtA:
7.97
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		5 GLY A 226
ARG A 228
ALA A  19
LEU A  18
GLY A  92
 None
 1.40A 6hqbA-1wg8A:
undetectable
6hqbJ-1wg8A:
undetectable		 6hqbA-1wg8A:
14.08
6hqbJ-1wg8A:
9.47
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.
2ag8 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Neisseria
meningitidis) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 MET A 142
SER A 144
GLY A  18
ALA A  13
GLY A 115
 None
 1.11A 6hqbA-2ag8A:
2.5
6hqbJ-2ag8A:
undetectable		 6hqbA-2ag8A:
15.97
6hqbJ-2ag8A:
8.75
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A 198
ALA A 108
LEU A 109
GLY A 251
LEU A  30
 None
 1.33A 6hqbA-2cukA:
undetectable
6hqbJ-2cukA:
undetectable		 6hqbA-2cukA:
17.41
6hqbJ-2cukA:
10.19
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 MET A 199
GLY A 391
ALA A 364
LEU A 367
LEU A 247
 None
 1.21A 6hqbA-2ffhA:
undetectable
6hqbJ-2ffhA:
undetectable		 6hqbA-2ffhA:
9.62
6hqbJ-2ffhA:
8.88
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 GLY A 135
ARG A 138
ALA A 141
GLY A 132
LEU A 198
 PLR  A 940 ( 3.8A)
None
None
None
None
 1.05A 6hqbA-2gj4A:
undetectable
6hqbJ-2gj4A:
undetectable		 6hqbA-2gj4A:
6.92
6hqbJ-2gj4A:
4.56
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		5 GLY A  32
ALA A  65
LEU A  64
GLY A  63
LEU A 184
 None
 1.24A 6hqbA-2o2gA:
undetectable
6hqbJ-2o2gA:
undetectable		 6hqbA-2o2gA:
17.96
6hqbJ-2o2gA:
14.91
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.
2owl RECOMBINATION-ASSOCI
ATED PROTEIN RDGC

(Escherichia
coli) 		PF04381
(RdgC) 		5 GLY A 188
TRP A 236
LEU A 293
GLY A 296
LEU A 151
 None
 1.35A 6hqbA-2owlA:
undetectable
6hqbJ-2owlA:
undetectable		 6hqbA-2owlA:
13.99
6hqbJ-2owlA:
8.58
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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 SER A 308
GLY A  21
ARG A  20
ALA A  63
LEU A 159
 None
 1.44A 6hqbA-2ppvA:
undetectable
6hqbJ-2ppvA:
undetectable		 6hqbA-2ppvA:
13.43
6hqbJ-2ppvA:
7.98
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 MET A 125
ALA A 184
LEU A 164
GLY A 163
LEU A  38
 None
 1.39A 6hqbA-2q04A:
undetectable
6hqbJ-2q04A:
undetectable		 6hqbA-2q04A:
17.96
6hqbJ-2q04A:
14.53
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 TRP A 116
ALA A 359
LEU A  83
GLY A  81
LEU A 297
 None
 1.42A 6hqbA-2qzuA:
undetectable
6hqbJ-2qzuA:
undetectable		 6hqbA-2qzuA:
9.18
6hqbJ-2qzuA:
6.52
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		5 GLY A 216
ARG A 213
ALA A 219
LEU A 218
LEU A  50
 None
 1.43A 6hqbA-2r98A:
undetectable
6hqbJ-2r98A:
undetectable		 6hqbA-2r98A:
10.09
6hqbJ-2r98A:
5.92
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.
2uut RNA-DIRECTED RNA
POLYMERASE

(Sapporo virus) 		PF00680
(RdRP_1) 		5 TRP A 185
GLY A  18
ALA A 165
LEU A 164
LEU A 259
 None
 1.31A 6hqbA-2uutA:
undetectable
6hqbJ-2uutA:
undetectable		 6hqbA-2uutA:
11.30
6hqbJ-2uutA:
5.43
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 GLY A 656
TRP A 635
ALA A 634
LEU A 625
GLY A 627
 None
 1.11A 6hqbA-2v5iA:
undetectable
6hqbJ-2v5iA:
undetectable		 6hqbA-2v5iA:
11.55
6hqbJ-2v5iA:
5.66
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.
2wjz IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Thermotoga
maritima) 		PF00117
(GATase) 		5 ARG B 187
ALA B  23
LEU B 190
GLY B 186
LEU B  66
 None
 1.36A 6hqbA-2wjzB:
undetectable
6hqbJ-2wjzB:
undetectable		 6hqbA-2wjzB:
15.42
6hqbJ-2wjzB:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 SER A 756
GLY A 757
LEU A 700
GLY A 699
LEU A 356
 None
 1.16A 6hqbA-2x05A:
undetectable
6hqbJ-2x05A:
undetectable		 6hqbA-2x05A:
5.80
6hqbJ-2x05A:
2.97
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 GLY A 227
ALA A 405
LEU A 223
GLY A 222
LEU A  78
 None
None
None
None
GLC  A1421 (-3.9A)
 1.44A 6hqbA-2xd3A:
undetectable
6hqbJ-2xd3A:
undetectable		 6hqbA-2xd3A:
10.86
6hqbJ-2xd3A:
6.97
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  10
ARG A  31
ALA A  34
LEU A  35
GLY A  29
 NAP  A 500 (-3.2A)
NAP  A 500 (-4.8A)
None
None
NAP  A 500 ( 4.1A)
 1.08A 6hqbA-2yutA:
undetectable
6hqbJ-2yutA:
undetectable		 6hqbA-2yutA:
16.15
6hqbJ-2yutA:
11.50
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		5 GLY A 217
ALA A 238
LEU A 163
GLY A 164
LEU A 285
 None
 1.15A 6hqbA-2zbzA:
undetectable
6hqbJ-2zbzA:
undetectable		 6hqbA-2zbzA:
10.68
6hqbJ-2zbzA:
7.04
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 TRP A  46
GLY A 207
ARG A  35
LEU A  36
LEU A 441
 None
 1.35A 6hqbA-2ze4A:
undetectable
6hqbJ-2ze4A:
undetectable		 6hqbA-2ze4A:
12.20
6hqbJ-2ze4A:
6.99
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 TRP A 373
SER A 381
GLY A 380
ARG A 379
LEU A  19
 None
 1.12A 6hqbA-3a0fA:
undetectable
6hqbJ-3a0fA:
undetectable		 6hqbA-3a0fA:
7.79
6hqbJ-3a0fA:
5.09
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.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 SER A  80
ALA A  86
LEU A  76
GLY A  77
LEU A 146
 None
 1.21A 6hqbA-3a1wA:
undetectable
6hqbJ-3a1wA:
undetectable		 6hqbA-3a1wA:
17.68
6hqbJ-3a1wA:
14.08
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A  41
ALA A 554
LEU A 266
GLY A 267
LEU A 615
 None
 1.38A 6hqbA-3aqpA:
undetectable
6hqbJ-3aqpA:
undetectable		 6hqbA-3aqpA:
7.15
6hqbJ-3aqpA:
4.45
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 SER A 135
GLY A 133
ALA A 127
GLY A 101
LEU A 186
 None
 1.26A 6hqbA-3fj1A:
undetectable
6hqbJ-3fj1A:
undetectable		 6hqbA-3fj1A:
12.80
6hqbJ-3fj1A:
8.04
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 TRP A 670
ARG A 668
ALA A 672
GLY A 666
LEU A 693
 None
 1.08A 6hqbA-3gsiA:
undetectable
6hqbJ-3gsiA:
undetectable		 6hqbA-3gsiA:
7.05
6hqbJ-3gsiA:
8.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyx ADENYLYLSULFATE
REDUCTASE
ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas;
Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 SER A 242
GLY A 246
ALA B  71
LEU A 392
GLY A 286
 None
 1.14A 6hqbA-3gyxA:
undetectable
6hqbJ-3gyxA:
undetectable		 6hqbA-3gyxA:
9.06
6hqbJ-3gyxA:
5.25
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.
3h7v O-SUCCINYLBENZOATE
SYNTHASE

(Thermosynechococcus
elongatus) 		PF13378
(MR_MLE_C) 		5 SER A 125
ARG A 300
LEU A 111
GLY A 297
LEU A 205
 None
 1.37A 6hqbA-3h7vA:
undetectable
6hqbJ-3h7vA:
undetectable		 6hqbA-3h7vA:
13.33
6hqbJ-3h7vA:
8.28
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.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		5 SER A 113
GLY A 114
ALA A 165
GLY A 104
LEU A  53
 None
 1.19A 6hqbA-3ih5A:
undetectable
6hqbJ-3ih5A:
undetectable		 6hqbA-3ih5A:
15.64
6hqbJ-3ih5A:
11.52
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 MET A 137
SER A  21
GLY A  19
ALA A 129
GLY A 132
 None
 1.08A 6hqbA-3ktdA:
undetectable
6hqbJ-3ktdA:
undetectable		 6hqbA-3ktdA:
13.51
6hqbJ-3ktdA:
15.93
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.
3lpn RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermoplasma
volcanium) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 SER A 247
GLY A 216
LEU A 242
GLY A 241
LEU A  37
 None
SO4  A 288 (-3.5A)
None
None
None
 1.43A 6hqbA-3lpnA:
undetectable
6hqbJ-3lpnA:
undetectable		 6hqbA-3lpnA:
14.84
6hqbJ-3lpnA:
9.62
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 SER X 371
GLY X 373
LEU X 457
GLY X 342
LEU X 250
 None
 1.36A 6hqbA-3lxuX:
4.4
6hqbJ-3lxuX:
undetectable		 6hqbA-3lxuX:
4.36
6hqbJ-3lxuX:
3.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 100
ALA A 164
LEU A 429
GLY A 428
LEU A 412
 None
 1.36A 6hqbA-3pfoA:
undetectable
6hqbJ-3pfoA:
undetectable		 6hqbA-3pfoA:
11.11
6hqbJ-3pfoA:
7.78
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.
3pu9 PROTEIN
SERINE/THREONINE
PHOSPHATASE

(Sphaerobacter
thermophilus) 		PF07228
(SpoIIE) 		5 SER A 131
GLY A 132
ALA A  76
LEU A  95
LEU A 234
 None
 1.37A 6hqbA-3pu9A:
undetectable
6hqbJ-3pu9A:
undetectable		 6hqbA-3pu9A:
16.39
6hqbJ-3pu9A:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A  78
ARG A  80
ALA A  76
LEU A  79
LEU A 130
 None
 1.18A 6hqbA-3qldA:
undetectable
6hqbJ-3qldA:
undetectable		 6hqbA-3qldA:
11.60
6hqbJ-3qldA:
7.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		5 SER A 203
GLY A  83
ALA A  50
LEU A  49
LEU A  35
 None
 1.41A 6hqbA-3qtgA:
undetectable
6hqbJ-3qtgA:
undetectable		 6hqbA-3qtgA:
11.06
6hqbJ-3qtgA:
7.85
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TRP A  53
SER A 288
GLY A 287
LEU A 266
GLY A 265
 None
 1.42A 6hqbA-3s2gA:
undetectable
6hqbJ-3s2gA:
undetectable		 6hqbA-3s2gA:
13.89
6hqbJ-3s2gA:
7.08
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 TRP B 259
GLY B 114
ALA B 173
LEU B 170
LEU B  96
 None
 1.42A 6hqbA-3vsjB:
undetectable
6hqbJ-3vsjB:
undetectable		 6hqbA-3vsjB:
16.60
6hqbJ-3vsjB:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 GLY A 484
ALA A 406
LEU A 405
GLY A 436
LEU A  32
 None
 1.32A 6hqbA-4conA:
undetectable
6hqbJ-4conA:
undetectable		 6hqbA-4conA:
7.04
6hqbJ-4conA:
4.45
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 TRP A 527
MET A 356
SER A 362
GLY A 360
LEU A 391
 None
 1.38A 6hqbA-4conA:
undetectable
6hqbJ-4conA:
undetectable		 6hqbA-4conA:
7.04
6hqbJ-4conA:
4.45
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.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES

(Ruminococcus
flavefaciens) 		no annotation 5 MET A 181
SER A 184
GLY A 185
GLY A 223
LEU A 107
 None
 1.12A 6hqbA-4eyzA:
undetectable
6hqbJ-4eyzA:
undetectable		 6hqbA-4eyzA:
15.07
6hqbJ-4eyzA:
9.96
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 GLY A 321
ALA A 125
LEU A 316
GLY A 317
LEU A 222
 None
 1.25A 6hqbA-4ffcA:
undetectable
6hqbJ-4ffcA:
undetectable		 6hqbA-4ffcA:
9.58
6hqbJ-4ffcA:
7.28
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.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF00092
(VWA) 		5 SER A 216
GLY A 217
ALA A 192
GLY A 266
LEU A 112
 None
None
None
None
MLY  A 116 ( 4.5A)
 1.39A 6hqbA-4jduA:
undetectable
6hqbJ-4jduA:
undetectable		 6hqbA-4jduA:
18.14
6hqbJ-4jduA:
10.29
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.
4jmf PROBABLE CHAPERONE

(Pseudomonas
aeruginosa) 		PF05932
(CesT) 		5 TRP B  88
SER B  82
GLY B  83
ARG B  85
LEU B  93
 None
 1.42A 6hqbA-4jmfB:
undetectable
6hqbJ-4jmfB:
undetectable		 6hqbA-4jmfB:
18.80
6hqbJ-4jmfB:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ARG A  56
ALA A 411
LEU A 408
GLY A 374
LEU A 432
 None
FAD  A 601 (-4.6A)
None
None
None
 1.14A 6hqbA-4jzyA:
undetectable
6hqbJ-4jzyA:
undetectable		 6hqbA-4jzyA:
9.21
6hqbJ-4jzyA:
5.62
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 TRP A 336
ARG A 338
ALA A 334
LEU A 337
GLY A 368
 None
 1.36A 6hqbA-4ks9A:
undetectable
6hqbJ-4ks9A:
undetectable		 6hqbA-4ks9A:
10.05
6hqbJ-4ks9A:
7.59
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 MET A 407
SER A 410
ALA A 255
LEU A 256
LEU A 465
 None
 1.01A 6hqbA-4n1yA:
2.5
6hqbJ-4n1yA:
undetectable		 6hqbA-4n1yA:
18.52
6hqbJ-4n1yA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 462
GLY A 460
TRP A 706
GLY A 734
LEU A 344
 None
2U4  A 901 ( 3.8A)
None
2U4  A 901 ( 4.4A)
None
 1.27A 6hqbA-4oonA:
undetectable
6hqbJ-4oonA:
undetectable		 6hqbA-4oonA:
6.12
6hqbJ-4oonA:
4.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 462
GLY A 697
TRP A 706
ALA A 738
LEU A 259
 None
2U4  A 901 (-3.7A)
None
None
None
 1.29A 6hqbA-4oonA:
undetectable
6hqbJ-4oonA:
undetectable		 6hqbA-4oonA:
6.12
6hqbJ-4oonA:
4.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 GLY A 217
ALA A 234
LEU A 162
GLY A 163
LEU A 276
 None
 1.37A 6hqbA-4oqrA:
undetectable
6hqbJ-4oqrA:
undetectable		 6hqbA-4oqrA:
12.11
6hqbJ-4oqrA:
7.00
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.
4p3z COPN

(Chlamydia
pneumoniae) 		PF07201
(HrpJ) 		5 ARG A 113
ALA A  97
LEU A 112
GLY A 114
LEU A 208
 GOL  A 407 ( 4.3A)
None
None
None
None
 1.30A 6hqbA-4p3zA:
4.8
6hqbJ-4p3zA:
undetectable		 6hqbA-4p3zA:
11.69
6hqbJ-4p3zA:
8.09
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 MET A 380
ARG A  24
TRP A  23
GLY A 363
LEU A 245
 None
 1.31A 6hqbA-4p6bA:
undetectable
6hqbJ-4p6bA:
undetectable		 6hqbA-4p6bA:
11.44
6hqbJ-4p6bA:
7.73
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.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		5 SER A 435
GLY A 434
LEU A 398
GLY A 399
LEU A 583
 None
None
NPS  A 603 (-4.6A)
None
None
 1.36A 6hqbA-4po0A:
3.7
6hqbJ-4po0A:
undetectable		 6hqbA-4po0A:
9.39
6hqbJ-4po0A:
5.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pza GLUCOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 TRP A 189
ALA A  41
LEU A  45
GLY A  46
LEU A 171
 None
 1.34A 6hqbA-4pzaA:
undetectable
6hqbJ-4pzaA:
undetectable		 6hqbA-4pzaA:
14.29
6hqbJ-4pzaA:
12.07
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 ARG A 707
ALA A 586
LEU A 587
GLY A 590
LEU A 937
 None
 1.31A 6hqbA-4q2cA:
undetectable
6hqbJ-4q2cA:
undetectable		 6hqbA-4q2cA:
6.40
6hqbJ-4q2cA:
3.62
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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 TRP A 483
SER A 187
ALA A 420
LEU A 490
GLY A 204
 None
 1.42A 6hqbA-4r0cA:
undetectable
6hqbJ-4r0cA:
undetectable		 6hqbA-4r0cA:
9.54
6hqbJ-4r0cA:
6.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 TRP A  55
MET A 691
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.30A 6hqbA-4rkuA:
50.2
6hqbJ-4rkuA:
undetectable		 6hqbA-4rkuA:
23.53
6hqbJ-4rkuA:
6.88
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 TRP B  22
MET B 662
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.63A 6hqbA-4rkuB:
34.8
6hqbJ-4rkuB:
undetectable		 6hqbA-4rkuB:
7.02
6hqbJ-4rkuB:
4.68
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		5 ARG A  73
ALA A  70
LEU A  74
GLY A  75
LEU A  25
 None
 1.42A 6hqbA-4z0tA:
undetectable
6hqbJ-4z0tA:
undetectable		 6hqbA-4z0tA:
13.95
6hqbJ-4z0tA:
11.46
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 780
GLY A 865
ALA A 773
LEU A 789
GLY A 901
 None
 1.35A 6hqbA-4zdnA:
undetectable
6hqbJ-4zdnA:
undetectable		 6hqbA-4zdnA:
8.90
6hqbJ-4zdnA:
5.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 326
ALA B 396
LEU B 399
GLY B 319
LEU B  18
 None
 1.34A 6hqbA-5a8rB:
undetectable
6hqbJ-5a8rB:
undetectable		 6hqbA-5a8rB:
11.29
6hqbJ-5a8rB:
7.93
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		5 TRP A 144
MET A 187
GLY A 206
LEU A 181
GLY A 182
 P6G  A 622 (-4.1A)
None
None
None
None
 1.45A 6hqbA-5cxpA:
undetectable
6hqbJ-5cxpA:
undetectable		 6hqbA-5cxpA:
11.54
6hqbJ-5cxpA:
9.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 235
ARG A 236
ALA A 238
GLY A 600
LEU A  90
 None
 1.24A 6hqbA-5i68A:
undetectable
6hqbJ-5i68A:
undetectable		 6hqbA-5i68A:
8.49
6hqbJ-5i68A:
4.75
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 GLY A 135
ARG A 138
ALA A 141
GLY A 132
LEU A 198
 PLP  A 901 ( 3.8A)
None
None
None
None
 1.21A 6hqbA-5ikpA:
undetectable
6hqbJ-5ikpA:
undetectable		 6hqbA-5ikpA:
7.88
6hqbJ-5ikpA:
4.38
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF03814
(KdpA)
PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 TRP A 364
MET A 383
GLY A 374
GLY A 369
LEU B 662
 PX4  A 603 (-3.4A)
None
None
None
None
 0.90A 6hqbA-5mrwA:
3.5
6hqbJ-5mrwA:
undetectable		 6hqbA-5mrwA:
9.04
6hqbJ-5mrwA:
5.08
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 MET A 300
SER A 303
GLY A 304
GLY A  63
LEU A 263
 None
NAG  A1118 ( 4.8A)
None
None
None
 1.31A 6hqbA-5nbsA:
undetectable
6hqbJ-5nbsA:
undetectable		 6hqbA-5nbsA:
19.61
6hqbJ-5nbsA:
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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 5 GLY A  47
ARG A  68
ALA A  92
GLY A  66
LEU A 153
 None
 0.89A 6hqbA-5o0lA:
undetectable
6hqbJ-5o0lA:
undetectable		 6hqbA-5o0lA:
12.38
6hqbJ-5o0lA:
8.67
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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 5 GLY A  47
ARG A  68
ALA A  92
GLY A  66
LEU A 156
 None
 1.17A 6hqbA-5o0lA:
undetectable
6hqbJ-5o0lA:
undetectable		 6hqbA-5o0lA:
12.38
6hqbJ-5o0lA:
8.67
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 MET A 318
GLY A 394
ARG A 396
TRP A 393
GLY A 322
 None
 1.38A 6hqbA-5omsA:
undetectable
6hqbJ-5omsA:
undetectable		 6hqbA-5omsA:
20.69
6hqbJ-5omsA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 9 TRP 1  49
MET 1 684
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 4.3A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.37A 6hqbA-5oy01:
44.9
6hqbJ-5oy01:
undetectable		 6hqbA-5oy01:
100.00
6hqbJ-5oy01:
17.81
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 TRP b  22
MET b 659
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.64A 6hqbA-5oy0b:
34.0
6hqbJ-5oy0b:
undetectable		 6hqbA-5oy0b:
25.45
6hqbJ-5oy0b:
16.25
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 GLY A 703
ARG A 504
ALA A 696
LEU A 507
GLY A 508
 None
 1.39A 6hqbA-5u2gA:
undetectable
6hqbJ-5u2gA:
undetectable		 6hqbA-5u2gA:
7.71
6hqbJ-5u2gA:
4.41
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 GLY A 501
ALA A 477
LEU A 478
GLY A 525
LEU A 389
 None
 1.17A 6hqbA-5ujuA:
2.6
6hqbJ-5ujuA:
undetectable		 6hqbA-5ujuA:
9.57
6hqbJ-5ujuA:
5.02
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 1.04A 6hqbA-5v8kA:
27.3
6hqbJ-5v8kA:
1.2		 6hqbA-5v8kA:
9.65
6hqbJ-5v8kA:
10.92
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 484
ALA A 487
LEU A 486
GLY A  52
LEU A 359
 None
 1.21A 6hqbA-5vpuA:
undetectable
6hqbJ-5vpuA:
undetectable		 6hqbA-5vpuA:
10.89
6hqbJ-5vpuA:
5.87
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN I
TYPE II SECRETION
SYSTEM PROTEIN J
TYPE II SECRETION
SYSTEM PROTEIN K

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation
no annotation 		5 TRP X  48
GLY V 126
LEU X  52
GLY X  53
LEU W 108
 None
 1.37A 6hqbA-5vtmX:
undetectable
6hqbJ-5vtmX:
undetectable		 6hqbA-5vtmX:
21.35
6hqbJ-5vtmX:
19.75
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.
5x9q PUTATIVE
CYTIDYLYLTRANSFERASE

(Burkholderia
pseudomallei) 		no annotation 5 GLY A 135
ARG A 132
ALA A 138
LEU A 114
LEU A  36
 None
 1.42A 6hqbA-5x9qA:
undetectable
6hqbJ-5x9qA:
undetectable		 6hqbA-5x9qA:
20.43
6hqbJ-5x9qA:
26.09
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 SER A 830
GLY A 829
LEU A 783
GLY A 780
LEU A 257
 None
 1.21A 6hqbA-6fn1A:
4.4
6hqbJ-6fn1A:
1.4		 6hqbA-6fn1A:
19.05
6hqbJ-6fn1A:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 TRP A  46
MET A 681
SER A 685
GLY A 686
ARG A 687
TRP A 690
ALA A 714
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
 1.08A 6hqbA-6fosA:
44.6
6hqbJ-6fosA:
1.6		 6hqbA-6fosA:
68.75
6hqbJ-6fosA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 TRP A  46
MET A 681
SER A 685
GLY A 686
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.91A 6hqbA-6fosA:
44.6
6hqbJ-6fosA:
1.6		 6hqbA-6fosA:
68.75
6hqbJ-6fosA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 5 TRP B  22
GLY B 667
TRP B 669
ALA B 697
LEU B 698
 None
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 1.41A 6hqbA-6fosB:
28.4
6hqbJ-6fosB:
undetectable		 6hqbA-6fosB:
47.92
6hqbJ-6fosB:
14.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 TRP B  22
MET B 660
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.84A 6hqbA-6fosB:
28.4
6hqbJ-6fosB:
undetectable		 6hqbA-6fosB:
47.92
6hqbJ-6fosB:
14.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae;
Cyanidioschyzon
merolae) 		no annotation
no annotation 		8 TRP A  46
MET A 681
GLY A 686
TRP A 690
ALA A 714
LEU A 715
GLY A 720
LEU J  18
 None
PQN  A2001 ( 3.3A)
PQN  A2001 ( 3.9A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
None
 0.73A 6hqbA-6fosA:
44.6
6hqbJ-6fosA:
1.6		 6hqbA-6fosA:
68.75
6hqbJ-6fosA:
17.50