SIMILAR PATTERNS OF AMINO ACIDS FOR 5L5F_B_BO2B201_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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 THR A 446
THR A 415
THR A 401
SER A 450
ALA A 452
 None
 1.49A 5l5fV-1dcqA:
undetectable
5l5fb-1dcqA:
undetectable		 5l5fV-1dcqA:
23.13
5l5fb-1dcqA:
22.97
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 127
THR A 108
THR A 107
THR A 106
ARG A 158
 None
None
None
None
POP  A1155 (-3.1A)
 1.37A 5l5fV-1ocmA:
0.0
5l5fb-1ocmA:
0.0		 5l5fV-1ocmA:
19.76
5l5fb-1ocmA:
18.56
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		5 SER A 132
THR A 315
ARG A  39
ALA A 133
THR A 136
 EPS  A5001 (-3.5A)
FMN  A4001 (-2.9A)
EPS  A5001 (-2.8A)
FMN  A4001 ( 3.3A)
FMN  A4001 ( 4.5A)
 1.50A 5l5fV-1qxoA:
0.0
5l5fb-1qxoA:
0.0		 5l5fV-1qxoA:
22.16
5l5fb-1qxoA:
22.89
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.
1wnc E2 GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2) 		5 THR A 921
THR A 922
THR A 923
SER A 914
ALA A1171
 None
 1.35A 5l5fV-1wncA:
undetectable
5l5fb-1wncA:
undetectable		 5l5fV-1wncA:
23.40
5l5fb-1wncA:
18.91
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.
1wyy E2 GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2) 		5 THR A 921
THR A 922
THR A 923
SER A 914
ALA A1171
 None
 1.28A 5l5fV-1wyyA:
undetectable
5l5fb-1wyyA:
undetectable		 5l5fV-1wyyA:
22.78
5l5fb-1wyyA:
24.27
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 393
THR A 433
THR A 434
THR A 435
SER A 360
 None
 1.20A 5l5fV-1xkwA:
0.1
5l5fb-1xkwA:
0.0		 5l5fV-1xkwA:
15.11
5l5fb-1xkwA:
15.58
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.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 THR A  48
THR A  53
SER A  56
ALA A 204
THR A 202
 None
 1.47A 5l5fV-2a6vA:
undetectable
5l5fb-2a6vA:
undetectable		 5l5fV-2a6vA:
21.37
5l5fb-2a6vA:
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.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 SER A 100
THR A 106
THR A  39
ALA A 112
THR A 258
 None
 1.38A 5l5fV-2anpA:
undetectable
5l5fb-2anpA:
0.0		 5l5fV-2anpA:
21.69
5l5fb-2anpA:
22.60
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		5 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.50A 5l5fV-2z00A:
undetectable
5l5fb-2z00A:
0.0		 5l5fV-2z00A:
19.31
5l5fb-2z00A:
17.84
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.
3b5i S-ADENOSYL-L-METHION
INE:SALICYLIC ACID
CARBOXYL
METHYLTRANSFERASE-LI
KE PROTEIN

(Arabidopsis
thaliana) 		PF03492
(Methyltransf_7) 		5 SER A 175
THR A 192
THR A 193
THR A 194
ARG A 180
 None
 1.46A 5l5fV-3b5iA:
0.0
5l5fb-3b5iA:
undetectable		 5l5fV-3b5iA:
20.74
5l5fb-3b5iA:
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 177
SER A 496
THR A 158
THR A 181
SER A 329
 NAG  A 523 (-4.0A)
None
None
None
None
 1.37A 5l5fV-3gdnA:
undetectable
5l5fb-3gdnA:
undetectable		 5l5fV-3gdnA:
16.92
5l5fb-3gdnA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 HIS T 504
SER T 454
SER T 441
ALA T 446
THR T 445
 None
 1.48A 5l5fV-3icqT:
undetectable
5l5fb-3icqT:
undetectable		 5l5fV-3icqT:
12.09
5l5fb-3icqT:
10.98
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 HIS A1008
SER A1014
THR A1105
THR A1106
ALA A1016
 FMN  A2400 (-4.1A)
FMN  A2400 (-2.7A)
FMN  A2400 (-3.6A)
FMN  A2400 (-3.9A)
FMN  A2400 (-3.6A)
 1.47A 5l5fV-3l9xA:
undetectable
5l5fb-3l9xA:
undetectable		 5l5fV-3l9xA:
19.40
5l5fb-3l9xA:
18.32
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 5l5fV-3la4A:
undetectable
5l5fb-3la4A:
undetectable		 5l5fV-3la4A:
15.16
5l5fb-3la4A:
14.36
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 SER A 149
THR A  98
THR A  99
ALA A 150
THR A 154
 None
 1.41A 5l5fV-3m1aA:
undetectable
5l5fb-3m1aA:
undetectable		 5l5fV-3m1aA:
22.82
5l5fb-3m1aA:
22.46
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 9 THR N   1
THR N  20
THR N  21
THR N  22
LYS N  33
ARG N  45
SER N  46
ALA N  49
THR N  52
 None
 0.41A 5l5fV-3mg6N:
29.4
5l5fb-3mg6N:
38.8		 5l5fV-3mg6N:
29.49
5l5fb-3mg6N:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 HIS A 498
THR A 504
SER A 268
ALA A 495
THR A 494
 None
 1.34A 5l5fV-3o8oA:
undetectable
5l5fb-3o8oA:
undetectable		 5l5fV-3o8oA:
16.13
5l5fb-3o8oA:
13.51
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5l5fV-3qgkC:
undetectable
5l5fb-3qgkC:
undetectable		 5l5fV-3qgkC:
18.73
5l5fb-3qgkC:
15.88
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
 None
 1.33A 5l5fV-3redA:
undetectable
5l5fb-3redA:
undetectable		 5l5fV-3redA:
17.33
5l5fb-3redA:
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.
3tef IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 HIS A 248
SER A 247
THR A 220
THR A 219
SER A 228
 None
 1.37A 5l5fV-3tefA:
undetectable
5l5fb-3tefA:
undetectable		 5l5fV-3tefA:
23.84
5l5fb-3tefA:
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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 SER A 230
THR A 145
THR A 238
ALA A 231
THR A 195
 None
UNL  A 281 ( 3.8A)
None
None
UNL  A 281 ( 2.6A)
 1.28A 5l5fV-3tjrA:
0.0
5l5fb-3tjrA:
0.6		 5l5fV-3tjrA:
21.59
5l5fb-3tjrA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.72A 5l5fV-3unfH:
35.7
5l5fb-3unfH:
30.9		 5l5fV-3unfH:
46.78
5l5fb-3unfH:
27.11
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.
3wwz D-LACTATE
DEHYDROGENASE
(FERMENTATIVE)

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A  15
THR A 310
THR A 311
SER A 101
THR A 300
 None
 1.46A 5l5fV-3wwzA:
undetectable
5l5fb-3wwzA:
undetectable		 5l5fV-3wwzA:
22.79
5l5fb-3wwzA:
17.75
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 THR A1632
THR A1633
ARG A1860
SER A1881
ALA A1755
 None
 1.45A 5l5fV-4asiA:
0.0
5l5fb-4asiA:
undetectable		 5l5fV-4asiA:
14.53
5l5fb-4asiA:
14.64
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5l5fV-4g7eB:
undetectable
5l5fb-4g7eB:
undetectable		 5l5fV-4g7eB:
14.55
5l5fb-4g7eB:
13.00
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H   6
THR H  74
THR H  73
ALA H  20
THR H  18
 None
 1.46A 5l5fV-4hbcH:
undetectable
5l5fb-4hbcH:
undetectable		 5l5fV-4hbcH:
21.43
5l5fb-4hbcH:
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 SER A 336
THR A 231
THR A 226
ARG A 268
SER A 255
 None
 1.46A 5l5fV-4q6kA:
undetectable
5l5fb-4q6kA:
undetectable		 5l5fV-4q6kA:
17.79
5l5fb-4q6kA:
16.51
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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 THR A 113
THR A 114
THR A 115
SER A 252
ALA A 309
 None
 1.33A 5l5fV-4r7fA:
undetectable
5l5fb-4r7fA:
undetectable		 5l5fV-4r7fA:
17.36
5l5fb-4r7fA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 HIS A  23
THR A 140
THR A 184
THR A 183
ALA A  17
 None
 1.18A 5l5fV-4tx1A:
undetectable
5l5fb-4tx1A:
undetectable		 5l5fV-4tx1A:
20.33
5l5fb-4tx1A:
20.50
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 THR A 338
THR A  18
THR A  19
SER A 329
THR A 331
 None
None
None
None
FAD  A1355 (-4.0A)
 1.46A 5l5fV-4usrA:
undetectable
5l5fb-4usrA:
undetectable		 5l5fV-4usrA:
23.31
5l5fb-4usrA:
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.
4xin LPQH ORTHOLOGUE

(Mycobacterium
avium) 		PF05481
(Myco_19_kDa) 		5 SER A  20
THR A  94
SER A  16
ALA A  13
THR A  18
 None
 1.45A 5l5fV-4xinA:
undetectable
5l5fb-4xinA:
undetectable		 5l5fV-4xinA:
20.26
5l5fb-4xinA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvh CARBOHYDRATE
ESTERASE FAMILY 2
(CE2)

(Chaetomium) 		PF13472
(Lipase_GDSL_2) 		5 HIS A  98
THR A 120
SER A  24
ALA A  48
THR A 127
 None
 1.39A 5l5fV-4xvhA:
undetectable
5l5fb-4xvhA:
undetectable		 5l5fV-4xvhA:
22.02
5l5fb-4xvhA:
22.80
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 267
THR A 266
THR A 265
SER A 272
ALA A 310
 None
 1.27A 5l5fV-4yrpA:
0.0
5l5fb-4yrpA:
undetectable		 5l5fV-4yrpA:
19.04
5l5fb-4yrpA:
18.34
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 THR A 214
THR A 216
THR A 217
ARG A 501
THR A 502
 None
 1.12A 5l5fV-5az4A:
undetectable
5l5fb-5az4A:
undetectable		 5l5fV-5az4A:
16.17
5l5fb-5az4A:
14.61
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 SER A 280
THR A 271
THR A 270
SER A 290
ALA A 283
 None
GOL  A 607 (-3.9A)
None
None
None
 1.43A 5l5fV-5b25A:
undetectable
5l5fb-5b25A:
undetectable		 5l5fV-5b25A:
22.48
5l5fb-5b25A:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
ALA H  49
THR H  52
 None
 0.37A 5l5fV-5fg9H:
37.3
5l5fb-5fg9H:
28.0		 5l5fV-5fg9H:
98.31
5l5fb-5fg9H:
29.41
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 SER A 713
THR A 345
THR A 341
ALA A 698
THR A 700
 None
 1.48A 5l5fV-5mpmA:
undetectable
5l5fb-5mpmA:
undetectable		 5l5fV-5mpmA:
17.26
5l5fb-5mpmA:
17.19
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 844
THR A 767
THR A 816
SER A 769
ALA A 819
 None
 1.39A 5l5fV-5n8pA:
undetectable
5l5fb-5n8pA:
undetectable		 5l5fV-5n8pA:
12.68
5l5fb-5n8pA:
10.20
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 SER A 844
THR A 767
THR A 816
SER A 769
ALA A 819
 None
 1.38A 5l5fV-5n97A:
undetectable
5l5fb-5n97A:
undetectable		 5l5fV-5n97A:
14.43
5l5fb-5n97A:
14.51
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 SER A 319
THR A 286
THR A 287
THR A 288
ALA A 317
 None
EDO  A 818 (-4.2A)
None
EDO  A 818 (-4.1A)
None
 0.98A 5l5fV-5v1wA:
undetectable
5l5fb-5v1wA:
1.4		 5l5fV-5v1wA:
15.01
5l5fb-5v1wA:
14.20
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H 210
SER H 160
THR H 127
ALA H   9
THR H 118
 None
 1.44A 5l5fV-5vlpH:
undetectable
5l5fb-5vlpH:
undetectable		 5l5fV-5vlpH:
22.27
5l5fb-5vlpH:
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 SER A  26
THR A  90
THR A 105
ALA A 108
THR A  60
 None
 1.21A 5l5fV-5xqoA:
undetectable
5l5fb-5xqoA:
undetectable		 5l5fV-5xqoA:
16.52
5l5fb-5xqoA:
21.05
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 HIS A 273
SER A 228
THR A 244
ALA A 241
THR A 239
 None
 1.48A 5l5fV-5ydlA:
undetectable
5l5fb-5ydlA:
0.0		 5l5fV-5ydlA:
15.09
5l5fb-5ydlA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 6 HIS B 114
SER B 118
THR A   1
LYS A  33
SER A  46
ALA A  49
 None
 0.63A 5l5fV-6avoB:
21.8
5l5fb-6avoB:
21.3		 5l5fV-6avoB:
43.40
5l5fb-6avoB:
21.20
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 SER A 238
THR A 271
THR A 272
ARG A 105
ALA A 266
 None
 1.46A 5l5fV-6cboA:
0.2
5l5fb-6cboA:
undetectable		 5l5fV-6cboA:
13.14
5l5fb-6cboA:
17.71
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 404
THR L 275
THR L 276
ALA L 282
THR L 412
 None
 1.19A 5l5fV-6g2jL:
undetectable
5l5fb-6g2jL:
undetectable		 5l5fV-6g2jL:
17.05
5l5fb-6g2jL:
17.02