SIMILAR PATTERNS OF AMINO ACIDS FOR 4G1B_A_ECNA403_1

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.
1dly HEMOGLOBIN

(Chlamydomonas
moewusii) 		PF01152
(Bac_globin) 		5 PHE A  19
TYR A  20
PHE A  33
VAL A  83
LEU A  87
 None
CYN  A 122 (-4.3A)
HEM  A 144 ( 4.4A)
HEM  A 144 (-4.3A)
None
 0.88A 4g1bA-1dlyA:
10.2		 4g1bA-1dlyA:
18.25
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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 340
THR A 339
VAL A 255
TYR A 260
ILE A 265
 None
 1.12A 4g1bA-1dmsA:
2.1		 4g1bA-1dmsA:
20.75
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		5 GLN B  68
ALA B  79
LEU B  80
THR B 229
VAL B 105
 None
 1.12A 4g1bA-1e3dB:
undetectable		 4g1bA-1e3dB:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8y NUCLEOSIDE
2-DEOXYRIBOSYLTRANSF
ERASE

(Lactobacillus
leichmannii) 		PF05014
(Nuc_deoxyrib_tr) 		5 PHE A   8
LEU A  28
VAL A  85
LEU A  83
ILE A 134
 None
 0.99A 4g1bA-1f8yA:
3.3		 4g1bA-1f8yA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fsl LEGHEMOGLOBIN A

(Glycine max) 		PF00042
(Globin) 		5 PHE A  29
TYR A  30
VAL A 105
LEU A 109
TYR A 133
 NIO  A 145 ( 4.9A)
NIO  A 145 (-4.6A)
NIO  A 145 ( 4.0A)
None
HEM  A 144 (-2.9A)
 0.67A 4g1bA-1fslA:
13.5		 4g1bA-1fslA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fsl LEGHEMOGLOBIN A

(Glycine max) 		PF00042
(Globin) 		5 TYR A  30
PHE A  44
VAL A 105
LEU A 109
TYR A 133
 NIO  A 145 (-4.6A)
HEM  A 144 ( 3.8A)
NIO  A 145 ( 4.0A)
None
HEM  A 144 (-2.9A)
 0.78A 4g1bA-1fslA:
13.5		 4g1bA-1fslA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		7 THR A  25
PHE A  28
TYR A  29
PHE A  43
VAL A  98
LEU A 102
TYR A 124
 None
None
None
HEM  A1398 (-3.9A)
HEM  A1398 (-4.5A)
None
HEM  A1398 ( 4.9A)
 0.60A 4g1bA-1gvhA:
44.1		 4g1bA-1gvhA:
36.30
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.
1h6u INTERNALIN H

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 ALA A 227
LEU A 229
VAL A 235
LEU A 213
ILE A 220
 None
 1.14A 4g1bA-1h6uA:
undetectable		 4g1bA-1h6uA:
20.86
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.
1mzb FERRIC UPTAKE
REGULATION PROTEIN

(Pseudomonas
aeruginosa) 		PF01475
(FUR) 		5 PHE A  61
GLN A  23
LEU A  25
VAL A  57
LEU A  58
 None
 0.90A 4g1bA-1mzbA:
undetectable		 4g1bA-1mzbA:
16.75
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.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		5 PHE A 102
ALA A 129
VAL A 164
LEU A 165
ILE A 144
 None
 1.07A 4g1bA-1p9wA:
undetectable		 4g1bA-1p9wA:
23.35
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 ALA A  22
LEU A  23
VAL A  67
LEU A  61
ILE A  44
 None
 1.09A 4g1bA-1poiA:
2.0		 4g1bA-1poiA:
21.30
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		5 THR A 241
PHE A 242
PHE A 287
TYR A 137
ILE A 113
 None
 1.10A 4g1bA-1t9hA:
4.4		 4g1bA-1t9hA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uvx GLOBIN LI637

(Chlamydomonas
moewusii) 		PF01152
(Bac_globin) 		5 PHE A  19
TYR A  20
PHE A  33
VAL A  83
LEU A  87
 XE  A1126 ( 4.2A)
CYN  A1123 (-4.9A)
HEM  A1122 ( 4.1A)
HEM  A1122 (-4.5A)
XE  A1126 (-3.7A)
 0.88A 4g1bA-1uvxA:
10.1		 4g1bA-1uvxA:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uvy MYOGLOBIN

(Paramecium
caudatum) 		PF01152
(Bac_globin) 		5 THR A  16
PHE A  19
TYR A  20
PHE A  33
VAL A  81
 None
None
None
HEM  A1117 (-4.0A)
HEM  A1117 (-4.4A)
 0.96A 4g1bA-1uvyA:
9.2		 4g1bA-1uvyA:
15.96
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		5 ALA A 112
LEU A 113
THR A 116
VAL A  68
LEU A  72
 None
None
None
OXY  A 161 (-4.2A)
HEM  A 160 (-4.5A)
 1.13A 4g1bA-1yhuA:
13.5		 4g1bA-1yhuA:
16.80
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.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		5 TYR A 235
ALA A 128
THR A 124
LEU A  90
TYR A  92
 None
 1.12A 4g1bA-1zovA:
4.4		 4g1bA-1zovA:
21.91
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		5 TYR A  89
ALA A  56
VAL A  83
LEU A  80
ILE A  48
 None
 1.01A 4g1bA-2eguA:
4.2		 4g1bA-2eguA:
22.57
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.
2fmt METHIONYL-TRNA FMET
FORMYLTRANSFERASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 PHE A   8
ALA A  21
LEU A  22
VAL A  88
ILE A 138
 None
 1.03A 4g1bA-2fmtA:
5.0		 4g1bA-2fmtA:
24.08
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.
2fxa PROTEASE PRODUCTION
REGULATORY PROTEIN
HPR

(Bacillus
subtilis) 		PF01047
(MarR) 		5 THR A 111
PHE A 114
LEU A 106
LEU A  52
ILE A  66
 None
 1.14A 4g1bA-2fxaA:
undetectable		 4g1bA-2fxaA:
21.91
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		5 GLN A 150
ALA A 149
LEU A 148
LEU A 117
ILE A 227
 None
 1.10A 4g1bA-2fywA:
undetectable		 4g1bA-2fywA:
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.
2g4s NEXT TO BRCA1 GENE 1
PROTEIN

(Homo sapiens) 		PF00564
(PB1) 		5 PHE A  18
ALA A  33
VAL A   9
LEU A   7
ILE A  58
 None
 1.09A 4g1bA-2g4sA:
undetectable		 4g1bA-2g4sA:
13.02
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.
2j0r HEMIN TRANSPORT
PROTEIN HEMS

(Yersinia
enterocolitica) 		PF05171
(HemS) 		5 TYR A 222
ALA A 336
LEU A 338
LEU A 304
ILE A 243
 None
 1.15A 4g1bA-2j0rA:
undetectable		 4g1bA-2j0rA:
21.93
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.
2k1f CG4494-PA

(Drosophila
melanogaster) 		PF11976
(Rad60-SLD) 		5 PHE A  27
LEU A  38
VAL A  17
LEU A  15
ILE A  62
 None
 0.97A 4g1bA-2k1fA:
undetectable		 4g1bA-2k1fA:
14.33
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.
2mlw TYPE-1BA CYTOLYTIC
DELTA-ENDOTOXIN

(Dickeya
dadantii) 		PF01338
(Bac_thur_toxin) 		5 PHE A 196
ALA A  66
THR A 190
VAL A 199
LEU A 202
 None
 1.04A 4g1bA-2mlwA:
undetectable		 4g1bA-2mlwA:
20.30
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.
2v3b RUBREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF07992
(Pyr_redox_2) 		5 PHE A 138
ALA A 238
LEU A 151
VAL A 148
LEU A 149
 None
 0.96A 4g1bA-2v3bA:
2.9		 4g1bA-2v3bA:
24.67
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.
2wv0 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR YVOA

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		5 PHE A  44
ALA A  54
LEU A  55
LEU A  34
ILE A  23
 None
 0.95A 4g1bA-2wv0A:
undetectable		 4g1bA-2wv0A:
21.00
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.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		6 PHE A  27
LEU A  23
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 None
None
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 1.31A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		7 PHE A  27
TYR A  28
GLN A  52
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.67A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		7 PHE A  27
TYR A  28
PHE A  42
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.75A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		6 THR A  24
PHE A  27
TYR A  28
GLN A  52
VAL A  97
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.5A)
None
 0.66A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		6 THR A  24
PHE A  27
TYR A  28
PHE A  42
VAL A  97
TYR A 123
 None
None
CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.5A)
None
 0.77A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		7 TYR A  28
GLN A  52
ALA A  55
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 CYN  A 151 (-4.7A)
HEM  A 150 ( 3.6A)
HEM  A 150 (-4.2A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 1.03A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy4 SINGLE DOMAIN
HAEMOGLOBIN

(Campylobacter
jejuni) 		PF00042
(Globin) 		7 TYR A  28
PHE A  42
ALA A  55
VAL A  97
LEU A 101
TYR A 123
ILE A 126
 CYN  A 151 (-4.7A)
HEM  A 150 ( 3.5A)
HEM  A 150 (-4.2A)
HEM  A 150 (-4.5A)
None
None
HEM  A 150 ( 4.8A)
 0.98A 4g1bA-2wy4A:
21.4		 4g1bA-2wy4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1b DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Mus musculus) 		PF00490
(ALAD) 		5 ALA A 299
LEU A 301
THR A 303
LEU A 323
ILE A 315
 None
 1.13A 4g1bA-2z1bA:
undetectable		 4g1bA-2z1bA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfn KINESIN-LIKE PROTEIN
KIF22

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLN A 330
LEU A 333
VAL A 303
LEU A 304
ILE A 179
 None
 1.12A 4g1bA-3bfnA:
undetectable		 4g1bA-3bfnA:
22.27
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		5 PHE A 101
LEU A 135
VAL A   4
LEU A   6
ILE A  19
 None
 1.08A 4g1bA-3e5yA:
undetectable		 4g1bA-3e5yA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azotobacter
vinelandii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 380
ALA A 331
THR A 332
VAL A 300
LEU A 303
 None
 1.13A 4g1bA-3ekgA:
undetectable		 4g1bA-3ekgA:
22.15
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		6 PHE A 165
ALA A 155
LEU A 203
VAL A 176
LEU A 172
ILE A 142
 None
 1.34A 4g1bA-3hv1A:
undetectable		 4g1bA-3hv1A:
22.74
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF03483
(B3_4)
PF03484
(B5) 		5 PHE B 299
ALA B 263
LEU B 267
VAL B 289
ILE B 223
 None
 1.12A 4g1bA-3l4gB:
undetectable		 4g1bA-3l4gB:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 THR A 306
GLN A 360
LEU A 362
VAL A 355
TYR A 382
 None
 1.15A 4g1bA-3mkqA:
undetectable		 4g1bA-3mkqA:
21.25
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		5 ALA A 201
LEU A 205
VAL A 283
LEU A 153
ILE A 138
 None
 1.15A 4g1bA-3mtjA:
5.0		 4g1bA-3mtjA:
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 PHE A  47
TYR A  48
VAL A 261
LEU A 264
ILE A 272
 None
 1.12A 4g1bA-3op7A:
2.7		 4g1bA-3op7A:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 5 PHE B  28
PHE B  43
GLN B  53
VAL B  98
TYR B 126
 ECN  B 411 (-4.0A)
HEM  B 404 ( 3.8A)
HEM  B 404 (-3.9A)
HEM  B 404 ( 4.5A)
HEM  B 404 ( 3.9A)
 0.91A 4g1bA-3ozvB:
46.5		 4g1bA-3ozvB:
37.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 6 PHE B  28
TYR B  29
PHE B  43
VAL B  98
LEU B 102
TYR B 126
 ECN  B 411 (-4.0A)
None
HEM  B 404 ( 3.8A)
HEM  B 404 ( 4.5A)
ECN  B 411 (-3.2A)
HEM  B 404 ( 3.9A)
 0.55A 4g1bA-3ozvB:
46.5		 4g1bA-3ozvB:
37.95
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 113
LEU A 114
VAL A  88
LEU A  84
ILE A  74
 None
 1.11A 4g1bA-3ozyA:
undetectable		 4g1bA-3ozyA:
22.27
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.
3pt7 HEMOGLOBIN II

(Phacoides
pectinatus) 		PF00042
(Globin) 		5 PHE A  29
TYR A  30
GLN A  65
LEU A 114
ILE A 139
 None
OXY  A 501 (-4.3A)
HEM  A 500 ( 3.6A)
None
None
 1.07A 4g1bA-3pt7A:
15.1		 4g1bA-3pt7A:
16.62
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.
3pt8 HEMOGLOBIN III

(Phacoides
pectinatus) 		PF00042
(Globin) 		5 PHE B  30
TYR B  31
GLN B  66
LEU B 115
ILE B 140
 None
CYN  B 501 (-4.5A)
HEM  B 500 ( 3.7A)
None
None
 0.96A 4g1bA-3pt8B:
15.2		 4g1bA-3pt8B:
16.45
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ALA A 330
LEU A 303
VAL A 272
LEU A 273
ILE A 322
 None
 0.88A 4g1bA-3rmtA:
undetectable		 4g1bA-3rmtA:
23.84
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.
3tm9 BACTERIAL HEMOGLOBIN

(Vitreoscilla
stercoraria) 		PF00042
(Globin) 		8 THR A  25
PHE A  28
ALA A  56
THR A  60
VAL A  98
LEU A 102
TYR A 126
ILE A 129
 None
None
HEM  A 201 (-3.1A)
HEM  A 201 (-2.5A)
HEM  A 201 (-3.5A)
None
HEM  A 201 (-3.5A)
HEM  A 201 ( 4.6A)
 0.88A 4g1bA-3tm9A:
20.6		 4g1bA-3tm9A:
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.
3tm9 BACTERIAL HEMOGLOBIN

(Vitreoscilla
stercoraria) 		PF00042
(Globin) 		8 THR A  25
PHE A  28
PHE A  43
ALA A  56
THR A  60
LEU A 102
TYR A 126
ILE A 129
 None
None
HEM  A 201 (-3.1A)
HEM  A 201 (-3.1A)
HEM  A 201 (-2.5A)
None
HEM  A 201 (-3.5A)
HEM  A 201 ( 4.6A)
 1.05A 4g1bA-3tm9A:
20.6		 4g1bA-3tm9A:
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.
3u0h XYLOSE ISOMERASE
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01261
(AP_endonuc_2) 		5 ALA A 157
LEU A 159
THR A 161
LEU A 102
ILE A 114
 None
 1.13A 4g1bA-3u0hA:
undetectable		 4g1bA-3u0hA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0i PROBABLE
FAD-BINDING,
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Brucella
abortus) 		PF12900
(Pyridox_ox_2) 		5 THR A  37
THR A  49
VAL A  34
LEU A  23
TYR A  25
 NHE  A 145 ( 3.9A)
NHE  A 145 (-3.7A)
None
None
None
 1.13A 4g1bA-3u0iA:
undetectable		 4g1bA-3u0iA:
17.41
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.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN

(Methylacidiphilum
infernorum) 		PF00042
(Globin) 		5 PHE A  28
PHE A  43
VAL A  95
LEU A  99
TYR A 123
 None
HEM  A 201 (-3.8A)
HEM  A 201 (-4.1A)
None
HEM  A 201 (-4.4A)
 0.78A 4g1bA-3ubcA:
19.2		 4g1bA-3ubcA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN

(Methylacidiphilum
infernorum) 		PF00042
(Globin) 		5 PHE A  28
TYR A  29
GLN A  50
VAL A  95
TYR A 123
 None
None
HEM  A 201 ( 3.3A)
HEM  A 201 (-4.1A)
HEM  A 201 (-4.4A)
 0.80A 4g1bA-3ubcA:
19.2		 4g1bA-3ubcA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubc HEMOGLOBIN-LIKE
FLAVOPROTEIN

(Methylacidiphilum
infernorum) 		PF00042
(Globin) 		5 PHE A  28
TYR A  29
PHE A  43
VAL A  95
TYR A 123
 None
None
HEM  A 201 (-3.8A)
HEM  A 201 (-4.1A)
HEM  A 201 (-4.4A)
 0.65A 4g1bA-3ubcA:
19.2		 4g1bA-3ubcA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		5 ALA A  67
LEU A  68
THR A  71
VAL A  21
LEU A  87
 None
 1.12A 4g1bA-3um9A:
4.1		 4g1bA-3um9A:
20.60
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 PHE A 575
TYR A 611
VAL A 547
LEU A 397
ILE A 452
 None
 0.99A 4g1bA-3uszA:
undetectable		 4g1bA-3uszA:
19.39
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.
3wmt PROBABLE FERULOYL
ESTERASE B-1

(Aspergillus
oryzae) 		PF07519
(Tannase) 		5 PHE A 232
PHE A 170
GLN A 208
LEU A 235
ILE A 419
 None
 1.12A 4g1bA-3wmtA:
undetectable		 4g1bA-3wmtA:
19.70
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.
4bwc PHOSPHOLIPASE B-LIKE
1

(Bos taurus) 		PF04916
(Phospholip_B) 		5 GLN A 165
ALA A  99
LEU A 102
LEU A 106
TYR A  67
 None
 1.12A 4g1bA-4bwcA:
undetectable		 4g1bA-4bwcA:
21.47
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 ALA A 348
LEU A 347
VAL A 258
LEU A 228
ILE A  10
 None
 1.09A 4g1bA-4d9iA:
2.4		 4g1bA-4d9iA:
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 331
LEU A 330
VAL A 467
LEU A 464
ILE A 192
 None
 1.00A 4g1bA-4fdhA:
undetectable		 4g1bA-4fdhA:
22.47
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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 ALA A 227
LEU A 229
VAL A 235
LEU A 213
ILE A 220
 None
 1.10A 4g1bA-4fhoA:
undetectable		 4g1bA-4fhoA:
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.
4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE

(Coffea
canephora) 		PF02458
(Transferase) 		5 PHE A  93
ALA A  59
LEU A  60
VAL A 137
LEU A 135
 None
 0.70A 4g1bA-4g0bA:
undetectable		 4g1bA-4g0bA:
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.
4gct NUCLEOID OCCLUSION
FACTOR SLMA

(Vibrio cholerae) 		PF00440
(TetR_N) 		5 THR A 181
PHE A 184
ALA A  95
LEU A  94
ILE A 130
 None
 1.10A 4g1bA-4gctA:
undetectable		 4g1bA-4gctA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0o PROTEIN ELYS

(Mus musculus) 		PF16687
(ELYS-bb) 		5 ALA A  46
LEU A  45
LEU A 111
TYR A 109
ILE A  96
 None
 0.94A 4g1bA-4i0oA:
undetectable		 4g1bA-4i0oA:
20.58
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.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		5 THR A 292
LEU A 440
VAL A 298
LEU A 297
ILE A 284
 None
 1.04A 4g1bA-4ijmA:
undetectable		 4g1bA-4ijmA:
23.09
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.
4jxn OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ALA A 298
THR A 294
VAL A 176
LEU A 173
ILE A 250
 None
 1.09A 4g1bA-4jxnA:
undetectable		 4g1bA-4jxnA:
21.98
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.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		5 PHE A 102
ALA A  68
LEU A  69
VAL A 146
LEU A 144
 None
 0.69A 4g1bA-4ke4A:
undetectable		 4g1bA-4ke4A:
21.58
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 5 PHE A 121
TYR A 235
VAL A  99
LEU A  97
ILE A  83
 None
 1.09A 4g1bA-4l9aA:
3.1		 4g1bA-4l9aA:
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.
4lk3 UDP-GLUCURONIC ACID
DECARBOXYLASE 1

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 305
VAL A 310
LEU A 309
TYR A 157
ILE A  93
 None
 1.07A 4g1bA-4lk3A:
2.4		 4g1bA-4lk3A:
23.54
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLN A 519
LEU A 521
VAL A 482
LEU A 479
ILE A 599
 None
 1.04A 4g1bA-4na3A:
undetectable		 4g1bA-4na3A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o3m BLOOM SYNDROME
PROTEIN

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF00570
(HRDC)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A1001
THR A 999
VAL A1027
LEU A 966
TYR A 993
 None
 1.13A 4g1bA-4o3mA:
undetectable		 4g1bA-4o3mA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E

(Vibrio
vulnificus) 		PF00437
(T2SSE) 		5 PHE A  98
ALA A 125
VAL A 160
LEU A 161
ILE A 140
 None
 1.11A 4g1bA-4phtA:
2.3		 4g1bA-4phtA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ALA A 567
THR A 571
LEU A 389
TYR A 365
ILE A 442
 None
 1.11A 4g1bA-4tweA:
2.1		 4g1bA-4tweA:
20.84
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 THR A 571
VAL A 385
LEU A 389
TYR A 365
ILE A 442
 None
 0.99A 4g1bA-4tweA:
2.1		 4g1bA-4tweA:
20.84
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.
4u0y HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR YVOA

(Bacillus
subtilis) 		PF00392
(GntR) 		5 PHE A  44
ALA A  54
LEU A  55
LEU A  34
ILE A  23
 None
 1.01A 4g1bA-4u0yA:
undetectable		 4g1bA-4u0yA:
12.09
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 GLN L  78
ALA L  89
LEU L  90
THR L 239
ILE L 111
 None
 1.14A 4g1bA-4u9iL:
undetectable		 4g1bA-4u9iL:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 GLN A 492
ALA A 400
LEU A 401
LEU A 483
ILE A 168
 None
 0.86A 4g1bA-4uirA:
5.6		 4g1bA-4uirA:
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A 425
ALA A 453
LEU A 452
LEU A 428
ILE A 439
 None
 1.04A 4g1bA-4w7sA:
2.5		 4g1bA-4w7sA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 PHE A  40
PHE A 309
ALA A 251
THR A 252
VAL A 402
 None
None
None
LLP  A 247 ( 4.4A)
None
 1.14A 4g1bA-4wlhA:
undetectable		 4g1bA-4wlhA:
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.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 PHE A  40
PHE A 309
ALA A 251
THR A 252
VAL A 402
 None
 1.09A 4g1bA-4wp0A:
undetectable		 4g1bA-4wp0A:
23.34
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.
5ab8 GROUP 1 TRUNCATED
HEMOGLOBIN GLBN

(Mycobacterium
tuberculosis) 		PF01152
(Bac_globin) 		5 PHE A  32
TYR A  33
PHE A  46
VAL A  94
LEU A  98
 FMT  A1129 ( 4.9A)
FMT  A1129 (-4.1A)
HEM  A 144 ( 3.9A)
HEM  A 144 (-4.2A)
None
 0.85A 4g1bA-5ab8A:
9.3		 4g1bA-5ab8A:
15.29
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 GLN A 157
ALA A  98
VAL A 104
LEU A 107
ILE A 118
 None
 1.07A 4g1bA-5d7zA:
undetectable		 4g1bA-5d7zA:
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		5 THR A 219
LEU A 134
VAL A  64
LEU A 197
ILE A 212
 None
 1.10A 4g1bA-5foeA:
4.0		 4g1bA-5foeA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kju SHIKIMATE
O-HYDROXYCINNAMOYLTR
ANSFERASE

(Arabidopsis
thaliana) 		PF02458
(Transferase) 		5 PHE A  93
ALA A  59
LEU A  60
VAL A 137
LEU A 135
 None
 0.73A 4g1bA-5kjuA:
undetectable		 4g1bA-5kjuA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		5 PHE A  93
ALA A  58
LEU A  60
VAL A 137
LEU A 135
 None
 1.03A 4g1bA-5kjvA:
undetectable		 4g1bA-5kjvA:
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.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		5 PHE A  93
ALA A  59
LEU A  60
VAL A 137
LEU A 135
 None
 0.75A 4g1bA-5kjvA:
undetectable		 4g1bA-5kjvA:
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 PHE A1243
ALA A1282
LEU A1279
LEU A1246
TYR A1272
 None
 1.09A 4g1bA-5t8vA:
undetectable		 4g1bA-5t8vA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY3

(Pseudomonas
aeruginosa) 		PF09615
(Cas_Csy3) 		5 PHE C 114
ALA C 282
VAL C 232
LEU C 116
ILE C 218
 None
 1.05A 4g1bA-5uz9C:
undetectable		 4g1bA-5uz9C:
21.63
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.
5wfi -

(-) 		no annotation 5 GLN A1726
LEU A1728
VAL A1777
LEU A1778
ILE A1771
 None
 1.09A 4g1bA-5wfiA:
undetectable		 4g1bA-5wfiA:
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.
5xea ENVELOPE
GLYCOPROTEIN

(Thogoto
thogotovirus) 		PF03273
(Baculo_gp64) 		5 TYR A  63
ALA A 449
LEU A 450
THR A 453
LEU A  87
 None
 1.11A 4g1bA-5xeaA:
undetectable		 4g1bA-5xeaA:
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.
5xeb ENVELOPE
GLYCOPROTEIN

(Dhori
thogotovirus) 		PF03273
(Baculo_gp64) 		5 TYR A  68
ALA A 460
LEU A 461
THR A 464
LEU A  92
 None
 1.12A 4g1bA-5xebA:
undetectable		 4g1bA-5xebA:
22.67
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 ALA A 442
LEU A 443
VAL A 356
LEU A 404
ILE A 336
 None
 1.11A 4g1bA-5xgjA:
undetectable		 4g1bA-5xgjA:
12.73
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 233
ALA A 205
LEU A 207
VAL A  51
LEU A  53
 None
 1.03A 4g1bA-6amsA:
undetectable		 4g1bA-6amsA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ap4 DNA POLYMERASE III
SUBUNIT BETA

(Acinetobacter
baumannii) 		no annotation 5 PHE A 248
GLN A 209
LEU A 211
VAL A  51
LEU A  53
 None
 0.99A 4g1bA-6ap4A:
undetectable		 4g1bA-6ap4A:
10.53
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.
6c0w CENTROMERE PROTEIN N

(Homo sapiens) 		no annotation 5 LEU K  36
THR K  22
VAL K  48
LEU K  52
ILE K  16
 LEU  K  36 ( 0.5A)
THR  K  22 ( 0.8A)
VAL  K  48 ( 0.6A)
LEU  K  52 ( 0.6A)
ILE  K  16 ( 0.7A)
 1.08A 4g1bA-6c0wK:
undetectable		 4g1bA-6c0wK:
12.56
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.
6c9k DARP14 - SUBUNIT A
WITH DARPIN

(synthetic
construct) 		no annotation 5 GLN A 176
ALA A 174
VAL A 215
LEU A 216
ILE A 245
 None
 1.13A 4g1bA-6c9kA:
undetectable		 4g1bA-6c9kA:
13.67
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.
6eqt CENTROMERE PROTEIN N

(Homo sapiens) 		no annotation 5 LEU A  36
THR A  22
VAL A  48
LEU A  52
ILE A  16
 None
 0.94A 4g1bA-6eqtA:
undetectable		 4g1bA-6eqtA:
12.56