SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGL_A_CLQA303

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.
1b24 PROTEIN (I-DMOI)

(Desulfurococcus
mucosus) 		PF14528
(LAGLIDADG_3) 		5 GLY A  22
GLY A  23
TYR A  25
ILE A  40
ILE A  19
 None
 1.17A 4fglA-1b24A:
undetectable
4fglB-1b24A:
undetectable		 4fglA-1b24A:
19.38
4fglB-1b24A:
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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		5 GLU A 125
ILE A 126
PHE A 291
ILE A 122
PHE A 290
 ZN  A 293 ( 2.5A)
None
None
None
None
 1.18A 4fglA-1bf6A:
undetectable
4fglB-1bf6A:
undetectable		 4fglA-1bf6A:
19.06
4fglB-1bf6A:
19.06
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A 185
MET A  68
GLU A 188
ILE A 189
GLN A 153
 None
 1.25A 4fglA-1e25A:
undetectable
4fglB-1e25A:
undetectable		 4fglA-1e25A:
21.67
4fglB-1e25A:
21.67
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		5 GLY A   8
ASN A 360
ILE A  36
PHE A  47
ILE A  54
 None
 1.19A 4fglA-1jofA:
undetectable
4fglB-1jofA:
undetectable		 4fglA-1jofA:
21.86
4fglB-1jofA:
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 GLY A  61
TYR A  98
ILE A  59
VAL A 172
PHE A  19
 SAH  A 400 ( 4.1A)
None
None
None
SAH  A 400 (-3.9A)
 1.27A 4fglA-1jqeA:
undetectable
4fglB-1jqeA:
undetectable		 4fglA-1jqeA:
23.38
4fglB-1jqeA:
23.38
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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		5 GLY A 298
GLY A 297
ILE A 307
VAL A 275
ILE A 281
 None
 1.03A 4fglA-1lt8A:
undetectable
4fglB-1lt8A:
undetectable		 4fglA-1lt8A:
19.95
4fglB-1lt8A:
19.95
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.
1mvo PHOP RESPONSE
REGULATOR

(Bacillus
subtilis) 		PF00072
(Response_reg) 		5 GLY A  92
MET A  79
TYR A 100
GLU A  94
ILE A  62
 None
 1.26A 4fglA-1mvoA:
6.6
4fglB-1mvoA:
5.0		 4fglA-1mvoA:
21.89
4fglB-1mvoA:
21.89
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.
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE

(Homo sapiens) 		PF01182
(Glucosamine_iso) 		5 GLY A 130
GLY A 129
ILE A 125
VAL A 199
PHE A  35
 None
 1.28A 4fglA-1ne7A:
2.1
4fglB-1ne7A:
2.3		 4fglA-1ne7A:
20.88
4fglB-1ne7A:
20.88
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 5 GLY B 253
GLY B 251
MET B  23
ILE B 213
VAL B 185
 None
 1.09A 4fglA-1p3wB:
3.1
4fglB-1p3wB:
3.1		 4fglA-1p3wB:
22.83
4fglB-1p3wB:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmo MANNOSE BINDING
LECTIN, FRIL
MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus;
Lablab
purpureus) 		PF00139
(Lectin_legB)
PF00139
(Lectin_legB) 		5 GLY A 103
GLY A 104
TYR E 147
ASN E 144
VAL A  43
 MAN  A 302 ( 3.8A)
MAN  A 302 (-3.7A)
None
MAN  A 302 ( 3.0A)
None
 1.08A 4fglA-1qmoA:
undetectable
4fglB-1qmoA:
undetectable		 4fglA-1qmoA:
19.63
4fglB-1qmoA:
19.63
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		5 ILE A 140
VAL A 104
PHE A  85
ILE A 113
PHE A  92
 None
 1.28A 4fglA-1t9hA:
2.7
4fglB-1t9hA:
undetectable		 4fglA-1t9hA:
22.78
4fglB-1t9hA:
22.78
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 249
GLY A 250
ILE A 247
VAL A 192
ILE A 188
 None
 0.92A 4fglA-1to6A:
5.9
4fglB-1to6A:
2.9		 4fglA-1to6A:
22.22
4fglB-1to6A:
22.22
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.
1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF14519
(Macro_2) 		5 ILE A 189
VAL A 146
PHE A 106
ILE A 143
PHE A 102
 None
 0.88A 4fglA-1txzA:
undetectable
4fglB-1txzA:
undetectable		 4fglA-1txzA:
21.33
4fglB-1txzA:
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 GLY A 106
GLY A 107
ILE A  94
PHE A  59
PHE A  73
 None
 1.03A 4fglA-1z81A:
undetectable
4fglB-1z81A:
undetectable		 4fglA-1z81A:
20.49
4fglB-1z81A:
20.49
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 112
TYR A 375
GLU A 156
ILE A 371
ILE A 115
 None
None
UDP  A 705 (-3.6A)
None
None
 1.18A 4fglA-2d7iA:
undetectable
4fglB-2d7iA:
undetectable		 4fglA-2d7iA:
16.19
4fglB-2d7iA:
16.19
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.
2dfv PROBABLE L-THREONINE
3-DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  66
ILE A  48
PHE A 325
ILE A   8
PHE A 345
 None
 1.28A 4fglA-2dfvA:
4.4
4fglB-2dfvA:
4.4		 4fglA-2dfvA:
23.08
4fglB-2dfvA:
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.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 118
VAL A 355
PHE A 124
ILE A 362
PHE A  44
 None
 1.27A 4fglA-2f7vA:
2.6
4fglB-2f7vA:
2.5		 4fglA-2f7vA:
21.45
4fglB-2f7vA:
21.45
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.
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B

(Homo sapiens) 		PF00378
(ECH_1) 		5 GLY A 344
VAL A 318
PHE A 334
ILE A 398
PHE A 341
 None
 1.04A 4fglA-2fbmA:
undetectable
4fglB-2fbmA:
undetectable		 4fglA-2fbmA:
22.68
4fglB-2fbmA:
22.68
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 176
GLY A 175
ILE A 141
VAL A 397
GLN A 400
 None
NAD  A5555 (-3.7A)
NAD  A5555 (-4.4A)
None
None
 1.21A 4fglA-2fknA:
2.3
4fglB-2fknA:
undetectable		 4fglA-2fknA:
19.89
4fglB-2fknA:
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.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 GLY A  64
VAL A  38
PHE A  54
ILE A 118
PHE A  61
 None
 1.00A 4fglA-2fw2A:
undetectable
4fglB-2fw2A:
undetectable		 4fglA-2fw2A:
22.91
4fglB-2fw2A:
22.91
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 GLY A 166
MET A 229
ILE A 147
VAL A  42
PHE A  99
 None
 1.14A 4fglA-2g9iA:
undetectable
4fglB-2g9iA:
undetectable		 4fglA-2g9iA:
19.15
4fglB-2g9iA:
19.15
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.
2gu9 TETRACENOMYCIN
POLYKETIDE SYNTHESIS
PROTEIN

(Xanthomonas
campestris) 		PF07883
(Cupin_2) 		5 GLY A  36
TYR A 101
ILE A  82
GLN A  78
ILE A  74
 None
 1.28A 4fglA-2gu9A:
undetectable
4fglB-2gu9A:
undetectable		 4fglA-2gu9A:
19.57
4fglB-2gu9A:
19.57
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.
2hxi PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 GLY A  92
ILE A  62
VAL A  83
PHE A 201
ILE A 147
 None
 1.20A 4fglA-2hxiA:
undetectable
4fglB-2hxiA:
undetectable		 4fglA-2hxiA:
20.90
4fglB-2hxiA:
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.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 GLY A 172
GLY A 173
PHE A 133
ILE A  56
PHE A  73
 None
 1.09A 4fglA-2jtyA:
undetectable
4fglB-2jtyA:
undetectable		 4fglA-2jtyA:
24.52
4fglB-2jtyA:
24.52
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.
2ks6 UDP-N-ACETYLGLUCOSAM
INE TRANSFERASE
SUBUNIT ALG13

(Saccharomyces
cerevisiae) 		PF04101
(Glyco_tran_28_C) 		5 GLY A 171
TYR A  37
VAL A 136
ILE A 114
PHE A  30
 None
 1.14A 4fglA-2ks6A:
4.6
4fglB-2ks6A:
4.7		 4fglA-2ks6A:
23.41
4fglB-2ks6A:
23.41
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 GLY A  44
GLY A  45
TYR A  69
VAL A 114
PHE A  11
 None
 1.15A 4fglA-2ozoA:
undetectable
4fglB-2ozoA:
undetectable		 4fglA-2ozoA:
16.81
4fglB-2ozoA:
16.81
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 GLY A 236
GLY A 237
ILE A 292
VAL A 178
ILE A 157
 AXX  A 753 ( 3.9A)
None
AXX  A 753 (-4.3A)
None
AXX  A 753 ( 4.1A)
 1.23A 4fglA-2pziA:
undetectable
4fglB-2pziA:
undetectable		 4fglA-2pziA:
15.54
4fglB-2pziA:
15.54
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.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		5 GLY A  78
GLY A  76
ILE A  74
VAL A  70
ILE A 135
 None
 1.07A 4fglA-2q8nA:
2.4
4fglB-2q8nA:
2.1		 4fglA-2q8nA:
19.57
4fglB-2q8nA:
19.57
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.
2x5y ZINC FINGER
CCCH-TYPE ANTIVIRAL
PROTEIN 1

(Homo sapiens) 		PF00644
(PARP) 		5 GLY A 848
MET A 778
VAL A 876
PHE A 880
ILE A 879
 None
 1.17A 4fglA-2x5yA:
undetectable
4fglB-2x5yA:
undetectable		 4fglA-2x5yA:
20.09
4fglB-2x5yA:
20.09
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A  10
GLY A   9
ILE A  37
PHE A 288
ILE A  15
 None
 1.28A 4fglA-2ys6A:
undetectable
4fglB-2ys6A:
undetectable		 4fglA-2ys6A:
20.18
4fglB-2ys6A:
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.
2yup VINEXIN

(Homo sapiens) 		PF00018
(SH3_1) 		5 GLY A  64
ILE A  45
VAL A  73
PHE A  36
ILE A  42
 None
 1.27A 4fglA-2yupA:
undetectable
4fglB-2yupA:
undetectable		 4fglA-2yupA:
15.45
4fglB-2yupA:
15.45
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 GLY A 171
GLY A 170
ILE A 168
PHE A 440
ILE A 443
 None
 1.28A 4fglA-2zr2A:
undetectable
4fglB-2zr2A:
undetectable		 4fglA-2zr2A:
19.64
4fglB-2zr2A:
19.64
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 GLY A 195
GLY A 196
TYR A 239
VAL A  97
ILE A 101
 None
 1.20A 4fglA-2zzgA:
undetectable
4fglB-2zzgA:
undetectable		 4fglA-2zzgA:
14.93
4fglB-2zzgA:
14.93
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 GLY A 138
GLY A 161
GLU A 140
PHE A 152
ILE A 142
 None
 1.18A 4fglA-3fdgA:
undetectable
4fglB-3fdgA:
undetectable		 4fglA-3fdgA:
20.27
4fglB-3fdgA:
20.27
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  66
ILE A  48
PHE A 325
ILE A   8
PHE A 345
 None
 1.25A 4fglA-3gfbA:
4.2
4fglB-3gfbA:
4.1		 4fglA-3gfbA:
22.19
4fglB-3gfbA:
22.19
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.
3ghy KETOPANTOATE
REDUCTASE PROTEIN

(Ralstonia
solanacearum) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A 141
GLY A 167
VAL A  72
PHE A 184
ILE A 180
 None
 1.07A 4fglA-3ghyA:
4.4
4fglB-3ghyA:
4.3		 4fglA-3ghyA:
21.65
4fglB-3ghyA:
21.65
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 285
GLY A 286
ILE A 283
VAL A 218
GLN A 181
 None
 1.17A 4fglA-3h4hA:
undetectable
4fglB-3h4hA:
undetectable		 4fglA-3h4hA:
21.41
4fglB-3h4hA:
21.41
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 GLY A 187
MET A 131
VAL A 243
PHE A   4
ILE A  88
 None
 1.28A 4fglA-3ioyA:
6.4
4fglB-3ioyA:
5.9		 4fglA-3ioyA:
22.51
4fglB-3ioyA:
22.51
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 GLY A 418
GLY A 419
GLU A 504
VAL A 508
ILE A 421
 None
 1.02A 4fglA-3j1cA:
undetectable
4fglB-3j1cA:
undetectable		 4fglA-3j1cA:
17.98
4fglB-3j1cA:
17.98
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.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		5 GLY A 143
ASN A  62
ILE A  43
VAL A   9
ILE A 130
 None
 1.28A 4fglA-3k77A:
undetectable
4fglB-3k77A:
undetectable		 4fglA-3k77A:
19.40
4fglB-3k77A:
19.40
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A1209
GLY A1210
VAL A1047
PHE A1050
ILE A1121
 None
 1.26A 4fglA-3k9bA:
2.5
4fglB-3k9bA:
2.4		 4fglA-3k9bA:
19.96
4fglB-3k9bA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		5 GLY A 269
ASN A 293
VAL A  71
PHE A 156
PHE A 288
 None
 1.23A 4fglA-3ld8A:
undetectable
4fglB-3ld8A:
undetectable		 4fglA-3ld8A:
24.28
4fglB-3ld8A:
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 GLY A 352
GLY A 354
PHE A 325
ILE A 327
PHE A 342
 None
None
None
None
FAD  A 400 (-4.8A)
 1.18A 4fglA-3m0oA:
2.4
4fglB-3m0oA:
undetectable		 4fglA-3m0oA:
24.14
4fglB-3m0oA:
24.14
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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY B 413
GLY B 412
ILE B 407
VAL B 213
ILE B 206
 None
 1.27A 4fglA-3n2zB:
3.5
4fglB-3n2zB:
3.6		 4fglA-3n2zB:
19.56
4fglB-3n2zB:
19.56
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		5 GLY A  62
GLY A  63
ILE A  50
PHE A  20
PHE A  34
 None
 0.95A 4fglA-3o7tA:
undetectable
4fglB-3o7tA:
undetectable		 4fglA-3o7tA:
23.40
4fglB-3o7tA:
23.40
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 164
GLY A 149
ILE A 151
VAL A 172
GLN A 177
 None
 1.23A 4fglA-3pdwA:
2.7
4fglB-3pdwA:
undetectable		 4fglA-3pdwA:
23.27
4fglB-3pdwA:
23.27
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 GLY A 174
ILE A 207
VAL A 121
PHE A 150
PHE A 183
 None
 1.22A 4fglA-3rhaA:
undetectable
4fglB-3rhaA:
undetectable		 4fglA-3rhaA:
18.85
4fglB-3rhaA:
18.85
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 322
GLY A 323
TYR A 289
ILE A 338
PHE A 292
 CIT  A 407 (-3.5A)
CIT  A 407 (-3.8A)
CIT  A 407 (-4.6A)
None
None
 1.24A 4fglA-3rzaA:
undetectable
4fglB-3rzaA:
3.0		 4fglA-3rzaA:
22.00
4fglB-3rzaA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		7 GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
ILE A 194
 FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
None
 0.36A 4fglA-3te7A:
38.6
4fglB-3te7A:
39.3		 4fglA-3te7A:
98.28
4fglB-3te7A:
98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 VAL A  69
GLN A 122
PHE A 126
ILE A 128
PHE A 178
 None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
None
TE7  A   1 (-3.6A)
 0.51A 4fglA-3te7A:
38.6
4fglB-3te7A:
39.3		 4fglA-3te7A:
98.28
4fglB-3te7A:
98.28
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 238
GLY A 239
ILE A 201
PHE A  49
PHE A  45
 LLP  A  61 ( 4.8A)
LLP  A  61 ( 3.6A)
None
None
None
 1.25A 4fglA-3vabA:
undetectable
4fglB-3vabA:
undetectable		 4fglA-3vabA:
20.70
4fglB-3vabA:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 239
GLY A 240
ILE A 201
VAL A 235
PHE A  45
 LLP  A  61 ( 3.6A)
LLP  A  61 ( 3.3A)
None
None
None
 1.26A 4fglA-3vabA:
undetectable
4fglB-3vabA:
undetectable		 4fglA-3vabA:
20.70
4fglB-3vabA:
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLY A 123
ILE A 127
GLN A 142
PHE A 143
PHE A 226
 None
 1.21A 4fglA-3x43A:
undetectable
4fglB-3x43A:
undetectable		 4fglA-3x43A:
22.39
4fglB-3x43A:
22.39
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLY A 124
GLY A 123
GLN A 142
PHE A 143
PHE A 226
 None
 1.26A 4fglA-3x43A:
undetectable
4fglB-3x43A:
undetectable		 4fglA-3x43A:
22.39
4fglB-3x43A:
22.39
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 382
MET X 384
ILE X 378
PHE X 613
PHE X 609
 None
 0.99A 4fglA-3zyyX:
undetectable
4fglB-3zyyX:
undetectable		 4fglA-3zyyX:
18.89
4fglB-3zyyX:
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY B 300
MET B  30
VAL B 133
ILE B  35
PHE B 109
 ACT  B 601 ( 4.8A)
None
None
None
None
 1.16A 4fglA-4bkxB:
undetectable
4fglB-4bkxB:
undetectable		 4fglA-4bkxB:
20.00
4fglB-4bkxB:
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.
4czd PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY
PUTATIVE
TRANSCRIPTIONAL
REGULATOR, ASNC
FAMILY

(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		PF13404
(HTH_AsnC-type)
no annotation 		5 GLY A  76
GLY B  58
VAL B  12
PHE A  79
ILE B  54
 None
 1.09A 4fglA-4czdA:
undetectable
4fglB-4czdA:
undetectable		 4fglA-4czdA:
20.43
4fglB-4czdA:
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1

(Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C) 		5 GLY A 563
VAL A 754
PHE A 533
ILE A 749
PHE A 743
 None
 1.25A 4fglA-4e4wA:
undetectable
4fglB-4e4wA:
undetectable		 4fglA-4e4wA:
20.13
4fglB-4e4wA:
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		5 GLY A 189
GLY A 188
ILE A 193
VAL A  30
ILE A  37
 GOL  A 503 (-3.6A)
None
None
None
None
 1.23A 4fglA-4g09A:
2.7
4fglB-4g09A:
undetectable		 4fglA-4g09A:
19.34
4fglB-4g09A:
19.34
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 5 GLY A  29
GLY A  28
ASN A  16
ILE A 230
PHE A 136
 None
 1.27A 4fglA-4gk9A:
undetectable
4fglB-4gk9A:
undetectable		 4fglA-4gk9A:
22.49
4fglB-4gk9A:
22.49
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.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC

(Escherichia
coli) 		PF00571
(CBS)
PF03471
(CorC_HlyC) 		5 GLY A 240
GLY A 241
ILE A 220
VAL A 279
PHE A 247
 None
 1.22A 4fglA-4hg0A:
undetectable
4fglB-4hg0A:
undetectable		 4fglA-4hg0A:
22.59
4fglB-4hg0A:
22.59
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.
4ina SACCHAROPINE
DEHYDROGENASE

(Wolinella
succinogenes) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A  11
GLY A  10
ILE A  43
VAL A 349
ILE A  83
 None
 1.18A 4fglA-4inaA:
3.9
4fglB-4inaA:
5.2		 4fglA-4inaA:
21.27
4fglB-4inaA:
21.27
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLY A1315
ASN A1312
PHE A1208
ILE A1121
PHE A1290
 None
P0G  A1401 (-2.9A)
None
None
P0G  A1401 ( 4.9A)
 1.28A 4fglA-4ldeA:
undetectable
4fglB-4ldeA:
undetectable		 4fglA-4ldeA:
20.89
4fglB-4ldeA:
20.89
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 346
GLY A 345
VAL A 186
ILE A 170
PHE A 407
 None
 1.12A 4fglA-4ls5A:
undetectable
4fglB-4ls5A:
undetectable		 4fglA-4ls5A:
18.98
4fglB-4ls5A:
18.98
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 GLY B 337
GLY B 338
TYR B 346
VAL B 334
ILE B 232
 None
FDA  B 402 (-3.1A)
None
None
None
 1.09A 4fglA-4mo2B:
4.6
4fglB-4mo2B:
4.6		 4fglA-4mo2B:
19.84
4fglB-4mo2B:
19.84
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 GLY A  75
ILE A  67
VAL A 124
ILE A  77
PHE A 312
 None
 1.12A 4fglA-4mptA:
4.4
4fglB-4mptA:
undetectable		 4fglA-4mptA:
19.16
4fglB-4mptA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Campylobacter
jejuni) 		PF00478
(IMPDH) 		5 GLY A  65
ASN A  40
ILE A  44
VAL A 238
ILE A  37
 None
 1.14A 4fglA-4mz1A:
undetectable
4fglB-4mz1A:
undetectable		 4fglA-4mz1A:
21.28
4fglB-4mz1A:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A  75
GLY A  76
VAL A  11
PHE A  54
ILE A 113
 None
 1.23A 4fglA-4nzsA:
undetectable
4fglB-4nzsA:
undetectable		 4fglA-4nzsA:
20.00
4fglB-4nzsA:
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.
4o8q COATOMER SUBUNIT
DELTA

(Bos taurus) 		PF00928
(Adap_comp_sub) 		5 GLY A 290
GLY A 291
ILE A 510
GLN A 398
ILE A 374
 None
 1.13A 4fglA-4o8qA:
undetectable
4fglB-4o8qA:
undetectable		 4fglA-4o8qA:
20.23
4fglB-4o8qA:
20.23
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A  12
GLY A  13
ASN A 102
ILE A  10
ILE A 116
 FDA  A 501 (-3.1A)
FDA  A 501 ( 4.9A)
None
None
None
 1.26A 4fglA-4opuA:
undetectable
4fglB-4opuA:
undetectable		 4fglA-4opuA:
20.61
4fglB-4opuA:
20.61
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.
4pyt UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(unidentified) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 GLY A 131
GLY A 132
VAL A 190
PHE A 171
ILE A 145
 FAD  A 401 (-3.5A)
FAD  A 401 (-3.6A)
None
None
None
 1.11A 4fglA-4pytA:
undetectable
4fglB-4pytA:
undetectable		 4fglA-4pytA:
20.06
4fglB-4pytA:
20.06
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
 None
 1.13A 4fglA-4q6rA:
undetectable
4fglB-4q6rA:
undetectable		 4fglA-4q6rA:
20.35
4fglB-4q6rA:
20.35
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 347
GLY A 346
VAL A 188
ILE A 172
PHE A 410
 None
 1.17A 4fglA-4qavA:
undetectable
4fglB-4qavA:
undetectable		 4fglA-4qavA:
21.12
4fglB-4qavA:
21.12
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.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 GLY A  32
GLY A  33
MET A  55
ILE A   5
PHE A  63
 PGE  A 301 (-3.6A)
None
PGE  A 301 ( 4.4A)
None
PGE  A 301 (-4.3A)
 1.15A 4fglA-4r9xA:
undetectable
4fglB-4r9xA:
undetectable		 4fglA-4r9xA:
21.51
4fglB-4r9xA:
21.51
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.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 5 GLY A 372
GLY A 373
TYR A 347
ILE A 396
GLN A 305
 None
 1.25A 4fglA-4xe7A:
undetectable
4fglB-4xe7A:
undetectable		 4fglA-4xe7A:
19.81
4fglB-4xe7A:
19.81
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.
4y7i MYOTUBULARIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF06602
(Myotub-related) 		5 GLY A 365
VAL A 483
PHE A 417
ILE A 354
PHE A 419
 None
 1.25A 4fglA-4y7iA:
undetectable
4fglB-4y7iA:
undetectable		 4fglA-4y7iA:
20.43
4fglB-4y7iA:
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 GLY A 241
GLY A 240
ILE A 237
VAL A 360
PHE A 345
 HEM  A 401 (-3.2A)
P33  A 407 ( 3.4A)
HEM  A 401 (-4.5A)
None
HEM  A 401 (-4.6A)
 0.95A 4fglA-4z5qA:
undetectable
4fglB-4z5qA:
undetectable		 4fglA-4z5qA:
21.21
4fglB-4z5qA:
21.21
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 GLY A 187
TYR A 124
GLU A 184
VAL A 147
PHE A  31
 PLP  A 301 ( 4.3A)
None
PLP  A 301 (-2.7A)
None
None
 1.13A 4fglA-5ce8A:
undetectable
4fglB-5ce8A:
undetectable		 4fglA-5ce8A:
22.53
4fglB-5ce8A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A1339
TYR A1494
ILE A1342
VAL A1477
PHE A1489
 None
 1.18A 4fglA-5dotA:
2.9
4fglB-5dotA:
3.8		 4fglA-5dotA:
9.80
4fglB-5dotA:
9.80
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 GLY A 217
ILE A  56
VAL A 185
GLN A 169
PHE A 164
 None
None
CL  A 401 (-4.1A)
None
None
 1.06A 4fglA-5e2hA:
undetectable
4fglB-5e2hA:
undetectable		 4fglA-5e2hA:
22.07
4fglB-5e2hA:
22.07
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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens;
Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol)
PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 GLU C 615
ILE C 558
VAL C 653
GLN D 248
PHE C 642
 None
 1.25A 4fglA-5exrC:
undetectable
4fglB-5exrC:
undetectable		 4fglA-5exrC:
12.21
4fglB-5exrC:
12.21
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 123
TYR A 271
ILE A 115
VAL A 372
ILE A 121
 None
 1.20A 4fglA-5favA:
undetectable
4fglB-5favA:
undetectable		 4fglA-5favA:
14.86
4fglB-5favA:
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 192
GLY A 193
VAL A  30
PHE A  33
ILE A 104
 None
 1.28A 4fglA-5fv4A:
2.1
4fglB-5fv4A:
2.9		 4fglA-5fv4A:
17.88
4fglB-5fv4A:
17.88
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 GLY A 123
ILE A 216
PHE A  72
ILE A 257
PHE A 252
 None
 1.13A 4fglA-5gv1A:
undetectable
4fglB-5gv1A:
undetectable		 4fglA-5gv1A:
21.17
4fglB-5gv1A:
21.17
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.
5gve DNA TOPOISOMERASE
3-BETA-1

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLY A 541
ASN A 539
GLN A 196
PHE A 200
ILE A 212
 None
 1.26A 4fglA-5gveA:
3.6
4fglB-5gveA:
3.5		 4fglA-5gveA:
18.06
4fglB-5gveA:
18.06
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.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 GLY A 123
ILE A 216
PHE A  72
ILE A 257
PHE A 252
 None
 1.14A 4fglA-5gygA:
undetectable
4fglB-5gygA:
undetectable		 4fglA-5gygA:
20.42
4fglB-5gygA:
20.42
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.
5h2a KLLA0C04147P

(Kluyveromyces
lactis) 		PF00023
(Ank) 		5 GLY A 222
GLY A 221
VAL A 206
PHE A 167
PHE A 163
 None
 1.26A 4fglA-5h2aA:
undetectable
4fglB-5h2aA:
undetectable		 4fglA-5h2aA:
22.78
4fglB-5h2aA:
22.78
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 GLY A 296
ILE A 298
GLN A 512
PHE A 516
ILE A 275
 None
 1.17A 4fglA-5hy5A:
2.8
4fglB-5hy5A:
2.9		 4fglA-5hy5A:
17.46
4fglB-5hy5A:
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 130
GLY A 131
ASN A 448
ILE A 197
VAL A  79
 FAD  A 601 (-3.6A)
FAD  A 601 (-3.2A)
FAD  A 601 ( 3.5A)
FAD  A 601 (-3.6A)
None
 1.21A 4fglA-5i1wA:
undetectable
4fglB-5i1wA:
undetectable		 4fglA-5i1wA:
17.80
4fglB-5i1wA:
17.80
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A  76
TYR A 220
ILE A  68
VAL A 321
ILE A  74
 None
 1.18A 4fglA-5i2gA:
undetectable
4fglB-5i2gA:
undetectable		 4fglA-5i2gA:
13.74
4fglB-5i2gA:
13.74
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLY A1912
GLY A1913
TYR A1824
VAL A1935
ILE A1940
 None
 1.21A 4fglA-5i6hA:
3.0
4fglB-5i6hA:
3.1		 4fglA-5i6hA:
10.94
4fglB-5i6hA:
10.94
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.
5lac 3CL PROTEASE

(Alphamesonivirus
1) 		PF17222
(Peptidase_C107) 		5 GLY A  66
GLY A  64
ILE A  80
ILE A  90
PHE A  57
 None
 1.28A 4fglA-5lacA:
undetectable
4fglB-5lacA:
undetectable		 4fglA-5lacA:
19.94
4fglB-5lacA:
19.94
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.
5loq PUTATIVE
HEME-DEPENDENT
PEROXIDASE LMO2113

(Listeria
monocytogenes) 		PF06778
(Chlor_dismutase) 		5 GLY A 191
TYR A 104
GLU A 109
ILE A 189
VAL A   5
 None
None
FEC  A 302 ( 4.8A)
FEC  A 302 ( 4.4A)
None
 1.21A 4fglA-5loqA:
undetectable
4fglB-5loqA:
undetectable		 4fglA-5loqA:
22.52
4fglB-5loqA:
22.52
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.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 GLY A 180
GLY A 179
ILE A 158
VAL A 239
ILE A 252
 GLY  A 180 ( 0.0A)
GLY  A 179 ( 0.0A)
ILE  A 158 ( 0.7A)
VAL  A 239 ( 0.6A)
ILE  A 252 ( 0.7A)
 1.18A 4fglA-5nqfA:
undetectable
4fglB-5nqfA:
undetectable		 4fglA-5nqfA:
19.47
4fglB-5nqfA:
19.47
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.
5tzb D-AMINOPEPTIDASE

(Burkholderia
sp. LK4) 		PF03576
(Peptidase_S58) 		5 GLY A 271
GLY A 272
VAL A 330
ILE A 240
PHE A 281
 None
 1.14A 4fglA-5tzbA:
undetectable
4fglB-5tzbA:
undetectable		 4fglA-5tzbA:
20.51
4fglB-5tzbA:
20.51
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.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		5 GLY A 226
GLY A 225
ILE A 230
VAL A  70
ILE A  77
 NAD  A 502 (-3.5A)
NAD  A 502 (-3.9A)
None
None
None
 1.28A 4fglA-5vldA:
2.6
4fglB-5vldA:
undetectable		 4fglA-5vldA:
21.71
4fglB-5vldA:
21.71
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.
5w6t HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 286
GLY A  49
VAL A 300
GLN A 295
ILE A 297
 None
 1.22A 4fglA-5w6tA:
undetectable
4fglB-5w6tA:
undetectable		 4fglA-5w6tA:
22.69
4fglB-5w6tA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 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 5 GLY A 288
ILE A 367
VAL A 220
ILE A 356
PHE A 250
 None
 1.22A 4fglA-5wkaA:
undetectable
4fglB-5wkaA:
undetectable		 4fglA-5wkaA:
undetectable
4fglB-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.
5xxu RIBOSOMAL PROTEIN
US7

(Toxoplasma
gondii) 		PF00177
(Ribosomal_S7) 		5 GLY F 107
GLY F 108
ILE F 178
VAL F  99
ILE F 142
 None
 1.27A 4fglA-5xxuF:
undetectable
4fglB-5xxuF:
undetectable		 4fglA-5xxuF:
24.07
4fglB-5xxuF:
24.07
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT C''
V-TYPE PROTON ATPASE
SUBUNIT C'

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 GLY C 195
ASN C 156
ILE C 193
VAL D  75
ILE C 200
 None
 1.20A 4fglA-6c6lC:
undetectable
4fglB-6c6lC:
undetectable		 4fglA-6c6lC:
undetectable
4fglB-6c6lC:
undetectable