SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXE_B_1FLB2002_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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A 267
ALA A  42
GLU A  48
LEU A 258
VAL A 112
 None
 0.96A 2bxeB-1dm3A:
0.0		 2bxeB-1dm3A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ARG A 382
ALA A 383
ALA A 386
LEU A 345
VAL A 352
 None
 0.83A 2bxeB-1fc4A:
undetectable		 2bxeB-1fc4A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hbr PROTEIN (HEMOGLOBIN
D)

(Gallus gallus) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.13A 2bxeB-1hbrA:
undetectable		 2bxeB-1hbrA:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hds HEMOGLOBIN S (DEOXY)
(ALPHA CHAIN)

(Odocoileus
virginianus) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.12A 2bxeB-1hdsA:
2.1		 2bxeB-1hdsA:
13.90
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.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		5 PHE A 293
ALA A 297
ALA A 229
SER A 272
LEU A 273
 None
NAG  A1317 ( 4.0A)
None
None
None
 1.10A 2bxeB-1ogqA:
undetectable		 2bxeB-1ogqA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 PHE A  54
ALA A  52
ALA A  34
LYS A  31
GLU A  60
 None
 1.06A 2bxeB-1q5mA:
undetectable		 2bxeB-1q5mA:
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 ALA A  77
ALA A  79
ALA A 253
LEU A  73
VAL A  72
 None
 1.03A 2bxeB-1s6rA:
undetectable		 2bxeB-1s6rA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		10 PHE A 206
ALA A 210
ALA A 213
LEU A 347
ALA A 350
LYS A 351
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 (-2.6A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.58A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		10 PHE A 206
ARG A 209
ALA A 210
ALA A 213
LEU A 347
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
DKA  A1001 ( 4.6A)
DKA  A1002 (-3.3A)
DKA  A1001 ( 4.0A)
DKA  A1002 ( 4.3A)
DKA  A1002 ( 3.8A)
DKA  A1002 ( 4.4A)
DKA  A1002 (-3.4A)
None
DKA  A1002 (-4.2A)
 0.45A 2bxeB-1tf0A:
47.7		 2bxeB-1tf0A:
100.00
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.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		6 ARG A 223
ALA A 220
LEU A  66
ALA A  69
GLU A  73
VAL A  83
 None
 1.40A 2bxeB-1v2dA:
undetectable		 2bxeB-1v2dA:
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.
1vz0 CHROMOSOME-PARTITION
ING PROTEIN SPO0J

(Thermus
thermophilus) 		PF02195
(ParBc) 		5 ALA A 175
ALA A 178
ALA A 164
SER A 119
VAL A 121
 None
 0.76A 2bxeB-1vz0A:
undetectable		 2bxeB-1vz0A:
17.89
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.
1wmu HEMOGLOBIN D ALPHA
CHAIN

(Aldabrachelys
gigantea) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
None
None
HEM  A 201 (-4.9A)
None
 1.12A 2bxeB-1wmuA:
undetectable		 2bxeB-1wmuA:
14.75
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ALA A 306
ALA A 305
LEU A 328
SER A 321
LEU A 320
 None
 1.11A 2bxeB-2afbA:
undetectable		 2bxeB-2afbA:
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 ALA A 103
ALA A  98
LEU A 120
ALA A 119
VAL A 130
 None
 1.11A 2bxeB-2avdA:
undetectable		 2bxeB-2avdA:
17.57
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.
2b7h HEMOGLOBIN ALPHA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
None
None
HEM  A 200 (-4.8A)
None
 1.09A 2bxeB-2b7hA:
2.1		 2bxeB-2b7hA:
15.63
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.
2e1m L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase) 		5 ALA C 561
ALA C 583
LEU B 440
LEU C 559
VAL C 558
 None
 1.13A 2bxeB-2e1mC:
undetectable		 2bxeB-2e1mC:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 ALA A 237
LEU A 225
ALA A 228
LYS A 229
LEU A 257
 None
 0.93A 2bxeB-2e7uA:
2.1		 2bxeB-2e7uA:
23.28
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 174
ALA A 177
LEU A 142
SER A 169
LEU A 170
 None
 1.12A 2bxeB-2ef0A:
undetectable		 2bxeB-2ef0A:
19.42
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.
2hwj HYPOTHETICAL PROTEIN
ATU1540

(Agrobacterium
fabrum) 		PF08857
(ParBc_2) 		5 PHE A 136
ARG A 137
ALA A 162
LEU A 143
GLU A  28
 None
 1.08A 2bxeB-2hwjA:
2.1		 2bxeB-2hwjA:
14.98
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 454
ALA A 213
LEU A 456
ALA A 399
GLU A 398
 None
None
None
None
K  A1463 (-3.7A)
 1.12A 2bxeB-2ix4A:
undetectable		 2bxeB-2ix4A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l5a HISTONE H3-LIKE
CENTROMERIC PROTEIN
CSE4, PROTEIN SCM3,
HISTONE H4

(Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF10384
(Scm3)
PF15511
(CENP-T_C) 		5 ALA A  38
ALA A  41
GLU A  92
LEU A 181
VAL A 180
 None
 1.06A 2bxeB-2l5aA:
undetectable		 2bxeB-2l5aA:
18.46
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.
2l5a HISTONE H3-LIKE
CENTROMERIC PROTEIN
CSE4, PROTEIN SCM3,
HISTONE H4

(Saccharomyces
cerevisiae) 		PF00125
(Histone)
PF10384
(Scm3)
PF15511
(CENP-T_C) 		5 ALA A  38
ALA A  41
GLU A  92
SER A 183
VAL A 180
 None
 1.00A 2bxeB-2l5aA:
undetectable		 2bxeB-2l5aA:
18.46
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 PHE A  15
ALA A  18
ALA A  21
LEU A  48
VAL A  43
 None
 0.93A 2bxeB-2p6pA:
undetectable		 2bxeB-2p6pA:
21.06
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A  85
ALA A 178
SER A  77
LEU A 145
VAL A 147
 None
 1.13A 2bxeB-2pokA:
undetectable		 2bxeB-2pokA:
24.59
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 ALA A  39
ALA A  42
SER A  25
LEU A  17
VAL A  14
 None
 1.13A 2bxeB-2r7dA:
undetectable		 2bxeB-2r7dA:
21.68
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.
2vhq NTPASE P4

(Pseudomonas
phage phi12) 		PF11602
(NTPase_P4) 		5 PHE A  30
ALA A 114
LEU A 147
ALA A 146
VAL A 185
 None
 1.08A 2bxeB-2vhqA:
undetectable		 2bxeB-2vhqA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ALA A 457
LEU A 442
ALA A 445
LEU A 472
VAL A 475
 None
 1.09A 2bxeB-2w9mA:
undetectable		 2bxeB-2w9mA:
23.59
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.
2wqh CTPR3Y3

(synthetic
construct) 		PF13414
(TPR_11)
PF13432
(TPR_16) 		5 ALA A  77
ALA A  79
LEU A  70
ALA A  69
GLU A  44
 None
None
MRD  A1109 (-4.7A)
None
None
 0.91A 2bxeB-2wqhA:
undetectable		 2bxeB-2wqhA:
11.30
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		5 ARG A 174
ALA A 276
ALA A 114
SER A 169
LEU A 168
 CXS  A 602 (-4.2A)
None
None
None
None
 1.06A 2bxeB-2x1mA:
undetectable		 2bxeB-2x1mA:
23.46
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.
2y3a PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT BETA
PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 PHE A  74
ALA A  75
GLU B 487
LEU A 103
VAL A 102
 None
 1.05A 2bxeB-2y3aA:
undetectable		 2bxeB-2y3aA:
18.96
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 PHE A 118
ALA A 161
ALA A 393
ALA A 137
SER A 116
 None
 1.08A 2bxeB-2y8nA:
undetectable		 2bxeB-2y8nA:
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.
2ypq PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE AROG

(Mycobacterium
tuberculosis) 		PF01474
(DAHP_synth_2) 		5 ALA A 241
LEU A 107
ALA A 110
LEU A 196
VAL A 197
 TRP  A1464 ( 3.9A)
TRP  A1464 ( 4.4A)
TRP  A1464 (-3.6A)
None
None
 1.04A 2bxeB-2ypqA:
undetectable		 2bxeB-2ypqA:
22.43
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.
2yrr AMINOTRANSFERASE,
CLASS V

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		5 ALA A 345
LEU A 306
ALA A 305
LEU A   4
VAL A 313
 None
 1.11A 2bxeB-2yrrA:
undetectable		 2bxeB-2yrrA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ALA A 121
ALA A  97
LEU A  69
SER A 116
LEU A 117
 None
 1.09A 2bxeB-2z65A:
undetectable		 2bxeB-2z65A:
17.53
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 ALA A 636
ALA A 639
LEU A 586
ALA A 616
LEU A 533
 None
 0.89A 2bxeB-3azqA:
undetectable		 2bxeB-3azqA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 ARG A 635
ALA A 636
ALA A 639
LEU A 586
ALA A 616
 None
 0.73A 2bxeB-3azqA:
undetectable		 2bxeB-3azqA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b79 TOXIN SECRETION
ATP-BINDING PROTEIN

(Vibrio
parahaemolyticus) 		PF03412
(Peptidase_C39) 		5 ALA A  45
ALA A  48
LEU A  25
ALA A  24
LEU A  41
 None
 1.10A 2bxeB-3b79A:
undetectable		 2bxeB-3b79A:
13.15
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.
3bge PREDICTED ATPASE

(Haemophilus
influenzae) 		PF12002
(MgsA_C) 		5 ARG A 279
ALA A 278
LEU A 261
ALA A 260
LEU A 274
 None
 1.12A 2bxeB-3bgeA:
2.4		 2bxeB-3bgeA:
17.21
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.
3c07 PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ALA A 203
LEU A  96
ALA A  97
LEU A 150
VAL A 149
 None
 1.13A 2bxeB-3c07A:
3.6		 2bxeB-3c07A:
19.93
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.
3cs1 FLAGELLAR
CALCIUM-BINDING
PROTEIN

(Trypanosoma
cruzi) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE A 186
ARG A  93
ALA A 190
LEU A 176
VAL A 184
 None
 1.08A 2bxeB-3cs1A:
undetectable		 2bxeB-3cs1A:
17.09
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.
3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2

(Capra hircus) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.13A 2bxeB-3d1aA:
2.2		 2bxeB-3d1aA:
13.23
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 PHE X 230
ALA X 218
ALA X  35
ALA X  29
SER X 289
 None
 0.97A 2bxeB-3dwoX:
undetectable		 2bxeB-3dwoX:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA A1023
ALA A1026
LEU A1042
ALA A1041
VAL A1078
 None
 1.05A 2bxeB-3eh1A:
undetectable		 2bxeB-3eh1A:
21.53
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 ALA A 159
ALA A 161
LEU A 123
SER A  53
VAL A  97
 None
 1.12A 2bxeB-3fj1A:
undetectable		 2bxeB-3fj1A:
22.17
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.
3gdj HEMOGLOBIN SUBUNIT
ALPHA

(Camelus
dromedarius) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.08A 2bxeB-3gdjA:
undetectable		 2bxeB-3gdjA:
14.78
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 PHE A 557
LEU A 414
ALA A 366
SER A 449
LEU A 450
 None
 1.13A 2bxeB-3gf7A:
undetectable		 2bxeB-3gf7A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqp HEMOGLOBIN SUBUNIT
ALPHA

(Felis catus) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
None
None
HEM  A 143 (-4.9A)
None
 1.00A 2bxeB-3gqpA:
2.1		 2bxeB-3gqpA:
14.60
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.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ARG A 144
ALA A 141
ALA A 119
GLU A 120
VAL A 134
 None
 1.06A 2bxeB-3ifrA:
undetectable		 2bxeB-3ifrA:
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 PHE D 191
ALA D 202
ALA D 108
LEU D 141
ALA D 144
 None
 1.11A 2bxeB-3m7nD:
undetectable		 2bxeB-3m7nD:
18.69
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 138
LEU A 160
ALA A 159
LEU A 191
VAL A 192
 None
 0.99A 2bxeB-3nyqA:
undetectable		 2bxeB-3nyqA:
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.
3pvs REPLICATION-ASSOCIAT
ED RECOMBINATION
PROTEIN A

(Escherichia
coli) 		PF00004
(AAA)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2) 		5 ARG A 280
ALA A 279
LEU A 262
ALA A 261
LEU A 275
 None
 1.09A 2bxeB-3pvsA:
2.0		 2bxeB-3pvsA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 ALA A 361
ALA A 339
LEU A 332
LEU A 354
VAL A 353
 None
 1.00A 2bxeB-3rreA:
undetectable		 2bxeB-3rreA:
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 168
ALA A 171
ALA A 204
SER A 162
VAL A 159
 None
None
None
CYS  A 401 ( 4.6A)
None
 1.13A 2bxeB-3tz6A:
undetectable		 2bxeB-3tz6A:
20.37
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 ALA A 347
ALA A 350
ALA A  66
SER A 342
LEU A 343
 None
 1.10A 2bxeB-3vexA:
undetectable		 2bxeB-3vexA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		5 ALA A  68
ALA A  69
ALA A  16
LEU A 124
VAL A 123
 None
 1.00A 2bxeB-3zouA:
undetectable		 2bxeB-3zouA:
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 PHE A 459
ALA A 383
ALA A 405
SER A 336
LEU A 335
 None
 1.09A 2bxeB-4a5qA:
undetectable		 2bxeB-4a5qA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		5 ALA A 206
ALA A 209
ALA A 168
SER A 191
LEU A 190
 None
EDO  A1433 ( 4.7A)
None
None
None
 1.09A 2bxeB-4abnA:
2.0		 2bxeB-4abnA:
21.36
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ARG A 344
ALA A 342
ALA A 345
ALA A 330
GLU A 295
 None
 1.05A 2bxeB-4dykA:
undetectable		 2bxeB-4dykA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		5 ARG A 155
ALA A 154
LEU A   9
GLU A  25
LEU A  55
 None
 1.12A 2bxeB-4f3eA:
3.2		 2bxeB-4f3eA:
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ALA B 507
ALA B 503
LEU B 501
GLU B 616
VAL B 512
 None
 1.14A 2bxeB-4f92B:
3.0		 2bxeB-4f92B:
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.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		5 ALA B 133
LEU B 137
ALA B 166
SER B 150
VAL B 147
 None
 1.14A 2bxeB-4fwiB:
undetectable		 2bxeB-4fwiB:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1x PHOSPHATE-BINDING
PROTEIN PSTS 2

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 PHE A 165
ALA A 254
ALA A 252
LEU A 195
VAL A 192
 None
 1.11A 2bxeB-4h1xA:
undetectable		 2bxeB-4h1xA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 ALA A  69
LEU A  76
SER A  84
LEU A 136
VAL A 135
 None
 1.12A 2bxeB-4h2lA:
undetectable		 2bxeB-4h2lA:
11.94
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.
4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 LEU A 260
ALA A  68
GLU A  54
SER A 205
LEU A 204
 None
None
ARG  A 310 (-3.9A)
None
None
 1.07A 2bxeB-4h5gA:
undetectable		 2bxeB-4h5gA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 ALA L 417
ALA L 370
LEU L 332
ALA L 335
VAL L 295
 None
 0.97A 2bxeB-4heaL:
2.8		 2bxeB-4heaL:
21.90
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 ALA A 244
ALA A 247
LEU A 274
SER A 239
LEU A 240
 None
 1.07A 2bxeB-4hvmA:
undetectable		 2bxeB-4hvmA:
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.
4imi SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		5 ALA A 151
ALA A 148
LEU A 213
SER A 156
LEU A 155
 None
 1.12A 2bxeB-4imiA:
undetectable		 2bxeB-4imiA:
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.
4iqn PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF16728
(DUF5066) 		5 ARG C 140
LEU C   5
SER C 162
LEU C 163
VAL C 164
 MLY  C  53 ( 3.9A)
None
None
None
None
 1.06A 2bxeB-4iqnC:
undetectable		 2bxeB-4iqnC:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 PHE A 206
ALA A 210
ALA A 213
LEU A 347
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
None
NPS  A 602 (-3.3A)
NPS  A 602 ( 4.2A)
NPS  A 602 ( 4.9A)
None
None
None
 0.54A 2bxeB-4po0A:
48.1		 2bxeB-4po0A:
74.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 PHE A 206
ALA A 210
ALA A 213
LEU A 347
LYS A 351
SER A 480
LEU A 481
VAL A 482
 None
None
NPS  A 602 (-3.3A)
NPS  A 602 ( 4.2A)
None
None
None
None
 0.59A 2bxeB-4po0A:
48.1		 2bxeB-4po0A:
74.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 PHE A 206
ARG A 209
ALA A 210
ALA A 213
LEU A 347
SER A 480
LEU A 481
VAL A 482
 None
NPS  A 602 (-3.6A)
None
NPS  A 602 (-3.3A)
NPS  A 602 ( 4.2A)
None
None
None
 0.73A 2bxeB-4po0A:
48.1		 2bxeB-4po0A:
74.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ARG A 246
ALA A 249
ALA A 245
LEU A 266
GLU A 232
 None
 1.13A 2bxeB-4rpfA:
undetectable		 2bxeB-4rpfA:
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 323
LEU A 345
ALA A 290
GLU A 289
VAL A 360
 None
 1.08A 2bxeB-4wz9A:
undetectable		 2bxeB-4wz9A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 394
ALA A 165
LEU A 396
ALA A 340
GLU A 339
 None
 1.06A 2bxeB-4xoxA:
undetectable		 2bxeB-4xoxA:
19.77
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ARG A 206
ALA A 237
ALA A 234
GLU A 259
LEU A 241
 None
 1.10A 2bxeB-4yv7A:
undetectable		 2bxeB-4yv7A:
19.80
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.
5cwc DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A  95
ALA A  98
ALA A 145
LEU A 106
VAL A 105
 None
 1.06A 2bxeB-5cwcA:
2.8		 2bxeB-5cwcA:
18.43
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 ARG A1092
ALA A1096
ALA A1059
SER A1082
VAL A1079
 None
 1.09A 2bxeB-5d0fA:
3.0		 2bxeB-5d0fA:
16.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		9 PHE A 205
ALA A 209
ALA A 212
LEU A 346
ALA A 349
LYS A 350
GLU A 353
SER A 479
LEU A 480
 None
CZE  A 613 ( 4.4A)
CZE  A 613 ( 3.7A)
CZE  A 613 ( 3.8A)
CZE  A 613 ( 4.7A)
CZE  A 613 (-4.1A)
CZE  A 613 (-2.9A)
None
None
 0.72A 2bxeB-5dqfA:
48.1		 2bxeB-5dqfA:
76.42
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.
5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin)
PF13499
(EF-hand_7) 		5 PHE A 261
ALA A 203
LEU A 220
ALA A 223
VAL A 229
 PHE  A 261 ( 1.3A)
ALA  A 203 ( 0.0A)
LEU  A 220 ( 0.6A)
ALA  A 223 ( 0.0A)
VAL  A 229 ( 0.6A)
 1.02A 2bxeB-5e37A:
undetectable		 2bxeB-5e37A:
21.75
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 ALA A 211
ALA A 209
GLU A 360
SER A 167
LEU A 169
VAL A 165
 None
 1.42A 2bxeB-5eefA:
undetectable		 2bxeB-5eefA:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		7 LEU A 347
ALA A 350
LYS A 351
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
 0.91A 2bxeB-5ghkA:
46.3		 2bxeB-5ghkA:
79.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		9 PHE A 206
ALA A 210
ALA A 213
LEU A 347
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
 0.69A 2bxeB-5ghkA:
46.3		 2bxeB-5ghkA:
79.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		7 PHE A 206
ARG A 209
ALA A 210
ALA A 213
SER A 480
LEU A 481
VAL A 482
 None
 1.08A 2bxeB-5ghkA:
46.3		 2bxeB-5ghkA:
79.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A 290
ALA A 293
LYS A 294
LEU A 194
VAL A 193
 None
 1.01A 2bxeB-5hwsA:
undetectable		 2bxeB-5hwsA:
18.27
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.
5jjw SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 PHE A 333
ARG A 335
ALA A 336
ALA A 301
GLU A 299
 None
 1.09A 2bxeB-5jjwA:
3.0		 2bxeB-5jjwA:
18.82
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.
5jjx SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 PHE A 210
ARG A 212
ALA A 213
ALA A 176
GLU A 174
 None
CL  A 401 (-4.1A)
None
None
None
 0.94A 2bxeB-5jjxA:
undetectable		 2bxeB-5jjxA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jpz SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 PHE A 210
ARG A 212
ALA A 213
ALA A 176
GLU A 174
 None
 0.95A 2bxeB-5jpzA:
4.3		 2bxeB-5jpzA:
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.
5jpz SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 PHE A 333
ARG A 335
ALA A 336
ALA A 301
GLU A 299
 None
 0.98A 2bxeB-5jpzA:
4.3		 2bxeB-5jpzA:
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A 537
ALA A 535
ALA A  37
GLU A  41
LEU A  89
 None
 0.97A 2bxeB-5n28A:
2.8		 2bxeB-5n28A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 10 PHE A 205
ARG A 208
ALA A 209
ALA A 212
LEU A 346
ALA A 349
GLU A 353
SER A 479
LEU A 480
VAL A 481
 None
 0.49A 2bxeB-5oriA:
47.9		 2bxeB-5oriA:
74.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 PHE A 138
ALA A 402
GLU A 385
LEU A 128
VAL A 127
 None
 0.94A 2bxeB-5ur2A:
2.1		 2bxeB-5ur2A:
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.
5wa3 PYRIDINE SYNTHASE
TBTD

(Thermobispora
bispora) 		no annotation 5 PHE A 220
ALA A 342
ALA A 343
ALA A 173
LEU A 338
 None
 1.10A 2bxeB-5wa3A:
undetectable		 2bxeB-5wa3A:
9.09
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		6 PHE A  56
ALA A  50
ALA A  47
LEU A  32
ALA A  29
LEU A  16
 None
 1.49A 2bxeB-5xfaA:
2.1		 2bxeB-5xfaA:
22.12
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 ALA A  34
ALA A  58
LEU A  86
ALA A  89
VAL A 101
 None
 1.09A 2bxeB-5xnzA:
undetectable		 2bxeB-5xnzA:
8.42
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 513
ALA A 464
SER A 446
LEU A 447
VAL A 448
 None
 0.86A 2bxeB-5xxoA:
undetectable		 2bxeB-5xxoA:
8.29
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 9 PHE A 206
ALA A 210
ALA A 213
LEU A 347
ALA A 350
GLU A 354
SER A 480
LEU A 481
VAL A 482
 None
 0.55A 2bxeB-5yxeA:
46.3		 2bxeB-5yxeA:
11.11
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 9 PHE A 206
ARG A 209
ALA A 210
ALA A 213
LEU A 347
ALA A 350
GLU A 354
LEU A 481
VAL A 482
 None
 0.56A 2bxeB-5yxeA:
46.3		 2bxeB-5yxeA:
11.11
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.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 LEU A 116
ALA A 119
LYS A 120
GLU A 123
LEU A  68
 None
 0.74A 2bxeB-6barA:
2.3		 2bxeB-6barA:
10.02
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ALA A 389
ALA A 384
LEU A 445
ALA A 448
VAL A 415
 None
 1.07A 2bxeB-6cmzA:
3.2		 2bxeB-6cmzA:
8.78
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 5 ALA K 744
LEU K 725
ALA K 728
SER K 633
LEU K 632
 None
None
None
None
A  O  58 ( 4.4A)
 1.05A 2bxeB-6d6qK:
undetectable		 2bxeB-6d6qK:
10.11