SIMILAR PATTERNS OF AMINO ACIDS FOR 5XPR_A_K86A1201

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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 VAL A 341
TRP A 378
LEU A 332
ILE A 399
ALA A 395
 None
 1.27A 5xprA-1cg4A:
0.2		 5xprA-1cg4A:
21.83
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		5 HIS A 296
LEU A  53
LEU A  83
ILE A  78
ALA A 117
 None
 1.45A 5xprA-1eu8A:
0.0		 5xprA-1eu8A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6v DNA TRANSPOSITION
PROTEIN

(Escherichia
virus Mu) 		PF09077
(Phage-MuB_C) 		5 LYS A  12
LEU A  53
LEU A  72
ILE A  27
ALA A  22
 None
 1.39A 5xprA-1f6vA:
undetectable		 5xprA-1f6vA:
12.64
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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 149
LEU A 119
ARG A 142
ILE A 118
ALA A 115
 None
 1.41A 5xprA-1j4aA:
0.0		 5xprA-1j4aA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 VAL A 284
LEU A 306
LEU A 125
ILE A 299
ALA A 301
 None
 1.15A 5xprA-1qo8A:
0.2		 5xprA-1qo8A:
21.32
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		5 VAL A 475
LEU A  32
TRP A  56
LEU A  57
ALA A  60
 None
 1.33A 5xprA-1x1nA:
0.4		 5xprA-1x1nA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 LEU A 218
TRP A  96
LEU A 162
HIS A 161
ALA A  94
 None
ACY  A1403 (-4.1A)
None
ZN  A 508 (-3.2A)
ACY  A1403 ( 4.1A)
 1.43A 5xprA-1zkjA:
0.0		 5xprA-1zkjA:
22.48
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.
2cwd LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Thermus
thermophilus) 		PF01451
(LMWPc) 		5 VAL A 121
LEU A 116
LEU A 143
ILE A  24
ALA A  21
 None
 1.42A 5xprA-2cwdA:
undetectable		 5xprA-2cwdA:
15.09
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.
2cwf DELTA1-PIPERIDEINE-2
-CARBOXYLATE
REDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF02615
(Ldh_2) 		5 VAL A  82
LEU A 106
LEU A 119
ILE A 121
ALA A 120
 None
 1.25A 5xprA-2cwfA:
0.4		 5xprA-2cwfA:
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.
2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 VAL A 151
LEU A 186
LEU A 192
HIS A 190
ALA A 159
 None
 1.42A 5xprA-2douA:
undetectable		 5xprA-2douA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g9d SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio cholerae) 		PF04952
(AstE_AspA) 		5 GLN A  38
VAL A  41
LEU A 133
ILE A 129
ALA A  96
 None
 1.40A 5xprA-2g9dA:
undetectable		 5xprA-2g9dA:
18.51
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 VAL A  26
LEU A 161
LEU A 148
ILE A   5
ALA A  18
 None
 1.34A 5xprA-2imhA:
undetectable		 5xprA-2imhA:
20.17
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 VAL A 198
LEU A 135
LEU A  72
ARG A 134
ILE A  69
 None
 1.46A 5xprA-2nq5A:
2.4		 5xprA-2nq5A:
21.15
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL X 187
LEU X 177
HIS X 178
ILE X 117
ALA X 173
 None
 1.47A 5xprA-2p3gX:
undetectable		 5xprA-2p3gX:
21.31
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.
3cdd PROPHAGE MUSO2, 43
KDA TAIL PROTEIN

(Shewanella
oneidensis) 		PF05954
(Phage_GPD) 		5 LEU A 100
LEU A 168
HIS A 154
ILE A 178
ALA A 161
 None
 1.42A 5xprA-3cddA:
undetectable		 5xprA-3cddA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLN A 288
LEU A 317
LEU A 313
ILE A 259
ALA A 256
 None
 1.41A 5xprA-3cj1A:
undetectable		 5xprA-3cj1A:
20.47
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.
3crr TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF01715
(IPPT) 		5 GLN A 288
LEU A 216
ARG A 213
ILE A 220
ALA A  15
 TRS  A 327 ( 4.9A)
None
None
None
DPO  A 326 (-4.6A)
 1.31A 5xprA-3crrA:
undetectable		 5xprA-3crrA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum) 		PF00067
(p450) 		5 HIS A 224
GLN A 219
LEU A 459
LEU A 203
ALA A 207
 None
 1.46A 5xprA-3danA:
1.6		 5xprA-3danA:
20.36
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.
3hid ADENYLOSUCCINATE
SYNTHETASE

(Yersinia pestis) 		PF00709
(Adenylsucc_synt) 		5 VAL A 342
TRP A 379
LEU A 333
ILE A 400
ALA A 396
 None
 1.21A 5xprA-3hidA:
undetectable		 5xprA-3hidA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 VAL A 273
LEU A  50
LEU A   9
HIS A  51
ILE A  41
 None
 1.43A 5xprA-3ihaA:
undetectable		 5xprA-3ihaA:
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.
3js8 CHOLESTEROL OXIDASE

(Chromobacterium
sp. DS-1) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 GLN A 322
LEU A 444
LEU A 446
ILE A 306
ALA A 303
 None
 1.36A 5xprA-3js8A:
undetectable		 5xprA-3js8A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLN A 173
VAL A 184
LEU A 132
ILE A 170
ALA A 175
 None
 1.37A 5xprA-3kqfA:
undetectable		 5xprA-3kqfA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 VAL A 432
LEU A 303
LEU A 318
ILE A 322
ALA A 341
 None
 1.25A 5xprA-3l4dA:
undetectable		 5xprA-3l4dA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m5u PHOSPHOSERINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00266
(Aminotran_5) 		5 VAL A 113
LEU A  88
LEU A  86
ARG A 210
ILE A 165
 None
 1.46A 5xprA-3m5uA:
undetectable		 5xprA-3m5uA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o53 PROTEIN LRIM1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 VAL A 114
LEU A 118
LEU A 126
ILE A 147
ALA A 128
 None
 1.30A 5xprA-3o53A:
undetectable		 5xprA-3o53A:
22.65
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.
3o6c PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Campylobacter
jejuni) 		PF03740
(PdxJ) 		5 HIS A  48
LEU A  54
LEU A  24
ILE A   7
ALA A  11
 PO4  A 302 (-3.9A)
None
None
None
None
 1.45A 5xprA-3o6cA:
undetectable		 5xprA-3o6cA:
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 167
LEU A 157
HIS A 158
ILE A  97
ALA A 153
 None
 1.47A 5xprA-3sheA:
1.9		 5xprA-3sheA:
21.23
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 VAL A 222
LEU A 218
LEU A 155
ILE A 158
ALA A 154
 None
 1.26A 5xprA-3tc8A:
undetectable		 5xprA-3tc8A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 GLN A 351
LEU B 246
ARG A 317
ILE B 226
ALA B 229
 None
 1.34A 5xprA-4cakA:
undetectable		 5xprA-4cakA:
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		5 VAL A 230
LEU A 104
ARG A 143
ILE A 108
ALA A  53
 None
 1.31A 5xprA-4cg1A:
undetectable		 5xprA-4cg1A:
21.78
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 HIS A 114
VAL A 497
LEU A 376
LEU A 506
ALA A 502
 CIT  A1589 (-4.0A)
None
None
None
CIT  A1589 (-3.5A)
 1.18A 5xprA-4conA:
1.8		 5xprA-4conA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 177
LEU A 212
ARG A 236
ILE A 187
ALA A 185
 None
 1.22A 5xprA-4cvmA:
undetectable		 5xprA-4cvmA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 VAL A 225
LEU A 221
LEU A 157
ILE A 160
ALA A 156
 None
 1.25A 5xprA-4fuuA:
undetectable		 5xprA-4fuuA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3f NF-KAPPA-BETA-INDUCI
NG KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 VAL A 518
LEU A 514
LEU A 508
HIS A 509
ILE A 454
 None
 1.33A 5xprA-4g3fA:
undetectable		 5xprA-4g3fA:
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 HIS A  99
VAL A  97
LEU A  22
LEU A  79
ILE A  18
 None
 1.49A 5xprA-4h0pA:
undetectable		 5xprA-4h0pA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 VAL A 320
LEU A  32
LEU A 336
ILE A 388
ALA A 332
 None
 1.44A 5xprA-4j5uA:
undetectable		 5xprA-4j5uA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LYS A  13
LEU A  71
LEU A 251
ILE A 292
ALA A 295
 None
 1.15A 5xprA-4l1fA:
0.0		 5xprA-4l1fA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgq GLYCOSYL HYDROLASE
FAMILY 10

(Prevotella
bryantii) 		PF02018
(CBM_4_9) 		5 VAL A 172
LEU A 188
TRP A 276
LEU A 154
ILE A 156
 None
 1.27A 5xprA-4mgqA:
undetectable		 5xprA-4mgqA:
15.14
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		5 VAL A  39
LEU A  53
LEU A  70
ARG A  62
ALA A  27
 None
 1.43A 5xprA-4q9nA:
undetectable		 5xprA-4q9nA:
21.32
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.
4tmu RECQ

(Cronobacter
sakazakii) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 VAL A 472
LEU A 479
LEU A 420
ILE A 423
ALA A 419
 None
 1.49A 5xprA-4tmuA:
undetectable		 5xprA-4tmuA:
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 VAL A 866
LEU A 856
LEU A 901
ILE A 902
ALA A 904
 None
 1.41A 5xprA-4wz9A:
undetectable		 5xprA-4wz9A:
19.82
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 VAL A  97
LEU A  67
LEU A 291
ILE A 294
ALA A 290
 None
 1.30A 5xprA-4yleA:
undetectable		 5xprA-4yleA:
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.
4yt9 PEPTIDYLARGININE
DEIMINASE

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		5 GLN A 194
LEU A 177
TRP A 134
LEU A 218
ILE A 220
 None
 1.46A 5xprA-4yt9A:
undetectable		 5xprA-4yt9A:
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.
5dil NON-STRUCTURAL
PROTEIN 1

(Influenza B
virus) 		PF02942
(Flu_B_NS1) 		5 VAL A 187
LEU A 240
LEU A 173
ILE A 175
ALA A 220
 None
 1.49A 5xprA-5dilA:
undetectable		 5xprA-5dilA:
16.31
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 HIS A 636
LEU A 712
TRP A 704
LEU A 657
ILE A 656
 None
 1.38A 5xprA-5gamA:
0.8		 5xprA-5gamA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B

(Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 VAL A 185
LYS A 273
TRP A 336
LEU A 339
ARG A 343
ILE A 372
ALA A 375
 None
 0.93A 5xprA-5gliA:
44.1		 5xprA-5gliA:
99.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gli ENDOTHELIN RECEPTOR
SUBTYPE-B

(Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 VAL A 185
LYS A 273
TRP A 336
LEU A 339
HIS A 340
ILE A 372
ALA A 375
 None
 0.79A 5xprA-5gliA:
44.1		 5xprA-5gliA:
99.78
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.
5hjz ENDORIBONUCLEASE
MAZF9

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		5 VAL A  63
LEU A 103
LEU A 110
ILE A  83
ALA A  80
 None
 1.42A 5xprA-5hjzA:
undetectable		 5xprA-5hjzA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 TRP A1352
LEU A1355
HIS A1356
ILE A1379
ALA A1382
 None
8K8  A2001 ( 4.3A)
8K8  A2001 ( 4.1A)
8K8  A2001 ( 4.2A)
None
 0.54A 5xprA-5n2sA:
24.5		 5xprA-5n2sA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 VAL A   3
LYS A  26
LEU A  28
LEU A  56
ILE A  67
 None
 1.13A 5xprA-5nr1A:
2.1		 5xprA-5nr1A:
17.58
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.
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 HIS A 174
VAL A 235
LEU A 156
LEU A 167
ALA A 170
 None
 1.47A 5xprA-5nv6A:
undetectable		 5xprA-5nv6A:
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.
5nx7 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 5 HIS A  27
LEU A 118
TRP A  30
LEU A 125
ILE A  73
 None
 1.09A 5xprA-5nx7A:
2.5		 5xprA-5nx7A:
21.70
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.
5w99 PBTD

(Planobispora
rosea) 		no annotation 5 VAL A  62
LEU A 107
LEU A  18
ILE A  19
ALA A  21
 None
 1.32A 5xprA-5w99A:
undetectable		 5xprA-5w99A:
10.95
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.
5z9y THIAZOLE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 227
LEU A 206
LEU A 183
ILE A 164
ALA A 196
 None
DXP  A 301 (-4.7A)
None
None
None
 1.40A 5xprA-5z9yA:
undetectable		 5xprA-5z9yA:
10.24
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.
6amn HEAT SHOCK PROTEIN
104

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 312
LEU A 246
LEU A 269
ILE A 300
ALA A 304
 None
 1.40A 5xprA-6amnA:
undetectable		 5xprA-6amnA:
10.67
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 VAL A 486
LEU A 437
LEU A 470
ILE A 474
ALA A 473
 None
 1.40A 5xprA-6aunA:
2.5		 5xprA-6aunA:
9.91
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 5 GLN A 515
VAL A 279
LEU A 472
ILE A 468
ALA A 441
 None
 1.33A 5xprA-6chdA:
undetectable		 5xprA-6chdA:
13.11
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.
6gru ADP-SUGAR
PYROPHOSPHATASE

(Homo sapiens) 		no annotation 5 VAL A 193
LEU A 185
LEU A 178
ILE A  77
ALA A 201
 None
 1.39A 5xprA-6gruA:
undetectable		 5xprA-6gruA:
11.08
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.
6h25 -

(-) 		no annotation 5 VAL A  59
LEU A  76
LEU A 110
ILE A 154
ALA A 153
 None
 1.47A 5xprA-6h25A:
undetectable		 5xprA-6h25A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASP A 189
PRO A 652
GLU A 724
TYR A 771
 None
2MD  A 800 (-4.1A)
2MD  A 799 ( 4.5A)
2MD  A 799 (-4.8A)
 1.44A 5xprA-1tmoA:
0.0		 5xprA-1tmoA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 222
PRO A 197
GLU A 198
TYR A 166
 None
 1.28A 5xprA-1xc6A:
0.0		 5xprA-1xc6A:
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.
1zh1 NON-STRUCTURAL
POLYPROTEIN

(Hepacivirus C) 		PF08300
(HCV_NS5a_1a)
PF08301
(HCV_NS5a_1b) 		4 ASP A 195
PRO A 192
GLU A 191
TYR A 129
 None
 1.37A 5xprA-1zh1A:
0.0		 5xprA-1zh1A:
15.70
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		4 ASP A 121
PRO A 155
GLU A  88
TYR A  93
 None
 1.37A 5xprA-2r9qA:
0.0		 5xprA-2r9qA:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 228
PRO A 223
GLU A 221
TYR A  89
 None
None
MG  A 401 ( 3.1A)
GAE  A 411 (-4.8A)
 1.41A 5xprA-3hpfA:
0.0		 5xprA-3hpfA:
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 221
PRO A 197
GLU A 198
TYR A 166
 None
 1.26A 5xprA-3ogrA:
1.5		 5xprA-3ogrA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 353
PRO A 391
GLU A 394
TYR A 398
 None
 1.37A 5xprA-3vtfA:
1.6		 5xprA-3vtfA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		4 ASP A 667
PRO A 670
GLU A 671
TYR A 764
 None
 1.34A 5xprA-4krfA:
0.0		 5xprA-4krfA:
19.19
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASP A 344
PRO A 383
GLU A 386
TYR A 398
 None
None
P6G  A 601 (-3.9A)
P6G  A 601 (-4.0A)
 1.19A 5xprA-4w7sA:
0.0		 5xprA-4w7sA:
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 221
PRO A 197
GLU A 198
TYR A 166
 None
 1.18A 5xprA-5ihrA:
1.2		 5xprA-5ihrA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A  47
PRO A  59
GLU A  58
TYR A 102
 None
 1.19A 5xprA-5wzeA:
0.7		 5xprA-5wzeA:
13.29