SIMILAR PATTERNS OF AMINO ACIDS FOR 2F9W_A_PAUA6001

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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 537
GLY A 487
ASP A 489
ILE A 530
THR A 539
 None
 1.47A 2f9wA-1gq2A:
2.5
2f9wB-1gq2A:
2.4		 2f9wA-1gq2A:
19.06
2f9wB-1gq2A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		5 ASN A 373
VAL A 375
GLY A 357
ARG A 239
THR A 360
 None
 1.44A 2f9wA-1kp2A:
0.1
2f9wB-1kp2A:
2.1		 2f9wA-1kp2A:
20.75
2f9wB-1kp2A:
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF01229
(Glyco_hydro_39) 		5 VAL A  61
TYR A  35
GLY A  28
ASP A  60
THR A  24
 None
 1.49A 2f9wA-1px8A:
undetectable
2f9wB-1px8A:
undetectable		 2f9wA-1px8A:
17.45
2f9wB-1px8A:
17.45
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		5 VAL A 279
TYR A 331
ASP A 277
THR A 316
THR A 310
 None
 1.45A 2f9wA-1t47A:
undetectable
2f9wB-1t47A:
undetectable		 2f9wA-1t47A:
22.90
2f9wB-1t47A:
22.90
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ASN A 271
TYR A 194
GLY A 111
THR A 217
THR A 180
 None
KCX  A 198 ( 4.2A)
KCX  A 198 ( 3.9A)
None
None
 1.34A 2f9wA-1uagA:
undetectable
2f9wB-1uagA:
1.1		 2f9wA-1uagA:
20.05
2f9wB-1uagA:
20.05
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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 ASN A 122
GLY A  80
ASP A  44
ILE A  41
THR A  95
 NAP  A1001 (-2.8A)
None
None
None
None
 1.35A 2f9wA-1xkdA:
undetectable
2f9wB-1xkdA:
undetectable		 2f9wA-1xkdA:
20.86
2f9wB-1xkdA:
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.
1y0u ARSENICAL RESISTANCE
OPERON REPRESSOR,
PUTATIVE

(Archaeoglobus
fulgidus) 		PF12840
(HTH_20) 		5 VAL A  26
GLY A  68
THR A  81
ILE A  71
ARG A  31
 None
 1.31A 2f9wA-1y0uA:
undetectable
2f9wB-1y0uA:
undetectable		 2f9wA-1y0uA:
19.17
2f9wB-1y0uA:
19.17
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.
1zi0 DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF03989
(DNA_gyraseA_C) 		5 GLY A 821
ILE A 774
THR A 777
ARG A 779
THR A 748
 None
 1.29A 2f9wA-1zi0A:
undetectable
2f9wB-1zi0A:
undetectable		 2f9wA-1zi0A:
23.48
2f9wB-1zi0A:
23.48
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.
2ajh LEUCYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF13603
(tRNA-synt_1_2) 		5 ASN A 383
VAL A 359
TYR A 346
GLY A 340
THR A 257
 None
 1.49A 2f9wA-2ajhA:
undetectable
2f9wB-2ajhA:
undetectable		 2f9wA-2ajhA:
23.08
2f9wB-2ajhA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		5 VAL A  61
TYR A  35
GLY A  28
ASP A  60
THR A  24
 None
 1.49A 2f9wA-2bs9A:
undetectable
2f9wB-2bs9A:
undetectable		 2f9wA-2bs9A:
19.73
2f9wB-2bs9A:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		8 ASN A   9
VAL A  55
TYR A  92
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.45A 2f9wA-2f9tA:
38.8
2f9wB-2f9tA:
37.9		 2f9wA-2f9tA:
100.00
2f9wB-2f9tA:
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 ASN A 254
TYR A 204
GLY A 111
ASP A  60
THR A 108
 None
 1.41A 2f9wA-2i3oA:
undetectable
2f9wB-2i3oA:
undetectable		 2f9wA-2i3oA:
19.35
2f9wB-2i3oA:
19.35
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 VAL A  56
GLY A  44
THR A  73
ILE A  37
THR A  20
 None
 1.44A 2f9wA-2in2A:
undetectable
2f9wB-2in2A:
undetectable		 2f9wA-2in2A:
20.75
2f9wB-2in2A:
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 255
VAL A 283
ASP A 282
ILE A 175
ARG A 258
 None
 1.26A 2f9wA-2j6iA:
undetectable
2f9wB-2j6iA:
undetectable		 2f9wA-2j6iA:
21.53
2f9wB-2j6iA:
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		8 ASN A   8
VAL A  41
TYR A  68
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.69A 2f9wA-2nrhA:
18.2
2f9wB-2nrhA:
18.3		 2f9wA-2nrhA:
22.22
2f9wB-2nrhA:
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.
2nsq E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE
PROTEIN

(Homo sapiens) 		PF00168
(C2) 		5 VAL A  93
GLY A  29
THR A  69
ILE A  66
THR A  63
 None
 1.47A 2f9wA-2nsqA:
undetectable
2f9wB-2nsqA:
undetectable		 2f9wA-2nsqA:
22.14
2f9wB-2nsqA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 TYR A 141
GLY A 151
THR A 289
ILE A 197
ARG A 154
 None
 1.46A 2f9wA-2pxjA:
undetectable
2f9wB-2pxjA:
undetectable		 2f9wA-2pxjA:
23.76
2f9wB-2pxjA:
23.76
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A 294
VAL A 328
GLY A 326
ASP A 333
THR A 273
 None
 1.26A 2f9wA-2qghA:
undetectable
2f9wB-2qghA:
undetectable		 2f9wA-2qghA:
27.80
2f9wB-2qghA:
27.80
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 TYR A 183
GLY A 185
ASP A  95
ILE A 336
THR A 221
 None
PG4  A1443 ( 4.3A)
PG4  A1443 (-3.1A)
None
PG4  A1443 (-4.1A)
 1.14A 2f9wA-2veoA:
undetectable
2f9wB-2veoA:
undetectable		 2f9wA-2veoA:
21.68
2f9wB-2veoA:
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.
2x8r GLYCOSYL HYDROLASE

(Aspergillus
fumigatus) 		PF01183
(Glyco_hydro_25) 		5 GLY A 182
ASP A 183
ILE A 144
THR A 155
THR A 146
 None
 1.47A 2f9wA-2x8rA:
undetectable
2f9wB-2x8rA:
undetectable		 2f9wA-2x8rA:
21.25
2f9wB-2x8rA:
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		5 VAL A 180
GLY A 153
THR A  89
ILE A  90
THR A 156
 None
NA  A1288 (-3.6A)
NA  A1288 ( 3.6A)
None
SO4  A1271 (-2.8A)
 1.11A 2f9wA-2xvxA:
3.6
2f9wB-2xvxA:
2.8		 2f9wA-2xvxA:
21.89
2f9wB-2xvxA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
 None
 1.26A 2f9wA-2xziA:
undetectable
2f9wB-2xziA:
undetectable		 2f9wA-2xziA:
21.41
2f9wB-2xziA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		5 VAL A 289
GLY A 287
ILE A 232
THR A 192
THR A 218
 None
None
None
FMN  A 401 (-3.7A)
None
 1.17A 2f9wA-2z6iA:
undetectable
2f9wB-2z6iA:
undetectable		 2f9wA-2z6iA:
20.76
2f9wB-2z6iA:
20.76
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.
2z83 HELICASE/NUCLEOSIDE
TRIPHOSPHATASE

(Japanese
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 TYR A 473
GLY A 476
ARG A 427
THR A 479
ILE A 450
 None
 1.48A 2f9wA-2z83A:
undetectable
2f9wB-2z83A:
2.0		 2f9wA-2z83A:
20.48
2f9wB-2z83A:
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.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 TYR A  87
GLY A  65
THR A  42
ILE A  47
ARG A  66
 None
 1.43A 2f9wA-2ze3A:
undetectable
2f9wB-2ze3A:
undetectable		 2f9wA-2ze3A:
25.94
2f9wB-2ze3A:
25.94
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.50A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  64
TYR A  99
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.86A 2f9wA-3djcA:
24.7
2f9wB-3djcA:
25.1		 2f9wA-3djcA:
26.87
2f9wB-3djcA:
26.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 ASN A 117
GLY A  73
ASP A  37
ILE A  34
THR A  90
 None
 1.29A 2f9wA-3dmsA:
undetectable
2f9wB-3dmsA:
undetectable		 2f9wA-3dmsA:
21.28
2f9wB-3dmsA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		5 ASN A 208
GLY A 398
ASP A 149
ARG A 182
THR A 211
 None
 1.28A 2f9wA-3ei8A:
undetectable
2f9wB-3ei8A:
undetectable		 2f9wA-3ei8A:
20.32
2f9wB-3ei8A:
20.32
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 ASN A 140
GLY A  60
THR A 453
THR A  53
THR A 351
 None
 1.44A 2f9wA-3fdhA:
undetectable
2f9wB-3fdhA:
undetectable		 2f9wA-3fdhA:
20.45
2f9wB-3fdhA:
20.45
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.
3feu PUTATIVE LIPOPROTEIN

(Aliivibrio
fischeri) 		PF13462
(Thioredoxin_4) 		5 ASN A 160
GLY A 165
THR A 175
ILE A 172
THR A 152
 None
 1.26A 2f9wA-3feuA:
undetectable
2f9wB-3feuA:
undetectable		 2f9wA-3feuA:
21.25
2f9wB-3feuA:
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 GLY A 161
ARG A 164
THR A  45
ILE A  44
THR A  12
 None
CL  A 316 (-4.3A)
CL  A 316 ( 4.4A)
None
SO4  A 317 (-4.0A)
 1.37A 2f9wA-3mdqA:
10.6
2f9wB-3mdqA:
10.7		 2f9wA-3mdqA:
22.43
2f9wB-3mdqA:
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A 310
VAL A 343
GLY A 341
ASP A 348
THR A 289
 None
 1.39A 2f9wA-3n2bA:
undetectable
2f9wB-3n2bA:
undetectable		 2f9wA-3n2bA:
23.95
2f9wB-3n2bA:
23.95
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 ASN A 110
GLY A  94
ASP A  96
THR A 100
THR A 113
 None
 1.39A 2f9wA-3rhaA:
undetectable
2f9wB-3rhaA:
undetectable		 2f9wA-3rhaA:
20.87
2f9wB-3rhaA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		5 VAL A 243
TYR A 333
ARG A 241
ILE A  29
THR A  46
 None
 1.43A 2f9wA-3ug7A:
undetectable
2f9wB-3ug7A:
undetectable		 2f9wA-3ug7A:
21.91
2f9wB-3ug7A:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A 311
VAL A 346
GLY A 344
ASP A 351
THR A 290
 None
 1.31A 2f9wA-3vabA:
undetectable
2f9wB-3vabA:
undetectable		 2f9wA-3vabA:
22.89
2f9wB-3vabA:
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.
3wnb PROTEIN TRANSLATION
ELONGATION FACTOR 1A

(Methanosarcina
mazei) 		no annotation 5 ASN A   3
VAL A 193
ARG A 249
THR A  59
ILE A  30
 None
 1.37A 2f9wA-3wnbA:
2.4
2f9wB-3wnbA:
undetectable		 2f9wA-3wnbA:
25.79
2f9wB-3wnbA:
25.79
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.
4e44 CENTROMERE PROTEIN S
CENTROMERE PROTEIN X

(Homo sapiens;
Homo sapiens) 		PF15630
(CENP-S)
PF09415
(CENP-X) 		5 VAL B  73
GLY B  53
THR A  46
ILE A  50
ARG B  52
 None
 1.33A 2f9wA-4e44B:
undetectable
2f9wB-4e44B:
undetectable		 2f9wA-4e44B:
17.60
2f9wB-4e44B:
17.60
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 VAL A 538
GLY A 543
THR A 601
ILE A 546
THR A 515
 None
 1.27A 2f9wA-4issA:
undetectable
2f9wB-4issA:
undetectable		 2f9wA-4issA:
19.84
2f9wB-4issA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwq CALCIUM-DEPENDENT
PROTEIN KINASE

(Plasmodium
berghei) 		PF13499
(EF-hand_7) 		5 GLY A 143
ASP A 142
THR A 146
ILE A 145
ARG A 135
 None
CA  A 201 (-2.9A)
CA  A 201 ( 4.9A)
None
None
 1.35A 2f9wA-4jwqA:
undetectable
2f9wB-4jwqA:
undetectable		 2f9wA-4jwqA:
24.09
2f9wB-4jwqA:
24.09
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 GLY A 779
ARG A 780
THR A 801
ILE A 797
ARG A 782
 None
 1.24A 2f9wA-4jzaA:
undetectable
2f9wB-4jzaA:
undetectable		 2f9wA-4jzaA:
17.09
2f9wB-4jzaA:
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.
4kw3 NS1

(Human bocavirus) 		no annotation 5 ASN A 248
GLY A 121
THR A  86
ILE A 118
THR A  17
 None
 1.43A 2f9wA-4kw3A:
undetectable
2f9wB-4kw3A:
undetectable		 2f9wA-4kw3A:
19.74
2f9wB-4kw3A:
19.74
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus;
Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB)
PF02502
(LacAB_rpiB) 		5 ASN A  88
VAL B 110
GLY B 107
ASP B  87
ILE B  69
 None
None
None
None
RBL  B 201 ( 4.7A)
 1.13A 2f9wA-4lfnA:
undetectable
2f9wB-4lfnA:
undetectable		 2f9wA-4lfnA:
28.47
2f9wB-4lfnA:
28.47
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 TYR A 142
GLY A 152
ILE A 198
THR A 156
ARG A 155
 None
 1.17A 2f9wA-4lxlA:
undetectable
2f9wB-4lxlA:
undetectable		 2f9wA-4lxlA:
27.75
2f9wB-4lxlA:
27.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		8 ASN A  12
VAL A  55
TYR A  93
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.65A 2f9wA-4o5fA:
14.3
2f9wB-4o5fA:
25.6		 2f9wA-4o5fA:
32.09
2f9wB-4o5fA:
32.09
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.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 189
ASP A 191
THR A 198
ILE A 122
ARG A 126
 None
 1.45A 2f9wA-4rlbA:
undetectable
2f9wB-4rlbA:
undetectable		 2f9wA-4rlbA:
23.05
2f9wB-4rlbA:
23.05
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN
ADRENOMEDULLIN

(Escherichia
coli;
Homo sapiens;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8)
PF00214
(Calc_CGRP_IAPP) 		5 TYR B  52
ASP A1098
ARG A1097
ILE A2041
ARG A 356
 None
 1.30A 2f9wA-4rwfB:
undetectable
2f9wB-4rwfB:
undetectable		 2f9wA-4rwfB:
10.05
2f9wB-4rwfB:
10.05
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.
4wky BETA-KETOACYL
SYNTHASE

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 272
ARG A 580
THR A 450
THR A 495
ARG A 581
 None
 1.41A 2f9wA-4wkyA:
undetectable
2f9wB-4wkyA:
undetectable		 2f9wA-4wkyA:
20.61
2f9wB-4wkyA:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 ASN A  91
GLY A 235
ILE A 191
THR A 142
THR A 251
 NAI  A 500 (-2.9A)
None
NAI  A 500 (-4.5A)
NAI  A 500 (-3.2A)
None
 1.24A 2f9wA-4yaiA:
2.3
2f9wB-4yaiA:
2.1		 2f9wA-4yaiA:
25.86
2f9wB-4yaiA:
25.86
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.
4ye4 HT593.1 GP120
HEAVY CHAIN HUMAN
ANTIBODY HJ16

(Human
immunodeficiency
virus;
Homo sapiens) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 108
GLY G 366
ILE G 371
THR G 455
ARG G 471
 None
 1.29A 2f9wA-4ye4H:
undetectable
2f9wB-4ye4H:
undetectable		 2f9wA-4ye4H:
20.00
2f9wB-4ye4H:
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.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		5 ASP A  96
ARG A  94
ILE A 171
THR A 161
ARG A 101
 None
 1.42A 2f9wA-4ze8A:
undetectable
2f9wB-4ze8A:
undetectable		 2f9wA-4ze8A:
18.66
2f9wB-4ze8A:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		8 ASN A  12
VAL A  58
TYR A  96
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.66A 2f9wA-5b8hA:
26.6
2f9wB-5b8hA:
26.7		 2f9wA-5b8hA:
33.33
2f9wB-5b8hA:
33.33
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 VAL A 290
GLY A 298
ASP A 294
ILE A 179
THR A 302
 None
 1.25A 2f9wA-5czcA:
undetectable
2f9wB-5czcA:
undetectable		 2f9wA-5czcA:
23.93
2f9wB-5czcA:
23.93
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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 ASN A  76
GLY A 223
ASP A 226
ILE A 233
THR A 100
 None
 1.33A 2f9wA-5dgoA:
undetectable
2f9wB-5dgoA:
undetectable		 2f9wA-5dgoA:
17.64
2f9wB-5dgoA:
17.64
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 VAL A 442
TYR A 454
GLY A 380
THR A 461
ILE A 358
 None
 1.48A 2f9wA-5gz4A:
undetectable
2f9wB-5gz4A:
undetectable		 2f9wA-5gz4A:
14.59
2f9wB-5gz4A:
14.59
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 GLY A 226
ASP A 213
THR A 235
ILE A 238
ARG A 272
 None
 1.25A 2f9wA-5h9dA:
undetectable
2f9wB-5h9dA:
0.8		 2f9wA-5h9dA:
21.10
2f9wB-5h9dA:
21.10
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 ASN A 749
THR A 719
ILE A 474
ARG A 745
THR A 472
 None
 1.12A 2f9wA-5hlbA:
undetectable
2f9wB-5hlbA:
undetectable		 2f9wA-5hlbA:
16.46
2f9wB-5hlbA:
16.46
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.14A 2f9wA-5i5dA:
1.1
2f9wB-5i5dA:
undetectable		 2f9wA-5i5dA:
19.55
2f9wB-5i5dA:
19.55
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.19A 2f9wA-5i5hA:
undetectable
2f9wB-5i5hA:
1.2		 2f9wA-5i5hA:
19.83
2f9wB-5i5hA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A 538
GLY A 543
THR A 601
ILE A 546
THR A 515
 None
 1.27A 2f9wA-5i8iA:
undetectable
2f9wB-5i8iA:
undetectable		 2f9wA-5i8iA:
9.84
2f9wB-5i8iA:
9.84
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT I
BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF01654
(Cyt_bd_oxida_I)
PF02322
(Cyt_bd_oxida_II) 		5 VAL A  70
GLY B 100
ARG B  99
THR B 123
ILE B 127
 None
 1.38A 2f9wA-5ir6A:
undetectable
2f9wB-5ir6A:
undetectable		 2f9wA-5ir6A:
22.32
2f9wB-5ir6A:
22.32
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.
5x8t 50S RIBOSOMAL
PROTEIN L14,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00238
(Ribosomal_L14) 		5 ASN L  29
GLY L  36
ILE L   2
ARG L  34
THR L  65
 G  A2691 ( 4.0A)
None
None
G  A2690 ( 3.2A)
None
 1.13A 2f9wA-5x8tL:
undetectable
2f9wB-5x8tL:
undetectable		 2f9wA-5x8tL:
20.66
2f9wB-5x8tL:
20.66
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 ASP B 341
ARG B 343
THR B 542
ILE B 541
THR B 336
 None
 1.13A 2f9wA-6f42B:
undetectable
2f9wB-6f42B:
undetectable		 2f9wA-6f42B:
undetectable
2f9wB-6f42B:
undetectable