SIMILAR PATTERNS OF AMINO ACIDS FOR 4M11_D_MXMD606_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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A1355
LEU A1318
VAL A1431
ALA A1428
LEU A1425
 None
 1.46A 4m11D-1e6yA:
1.4		 4m11D-1e6yA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 ARG A 120
ILE A 345
LEU A 352
LEU A 359
TRP A 387
ALA A 527
 SCL  A 700 (-3.9A)
None
SCL  A 700 ( 4.8A)
None
None
SCL  A 700 (-2.9A)
 0.66A 4m11D-1ebvA:
57.9		 4m11D-1ebvA:
64.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 MET A 113
ARG A 120
ILE A 345
VAL A 349
LEU A 359
TRP A 387
ALA A 527
 None
SCL  A 700 (-3.9A)
None
SCL  A 700 ( 4.6A)
None
None
SCL  A 700 (-2.9A)
 0.49A 4m11D-1ebvA:
57.9		 4m11D-1ebvA:
64.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 MET A 113
VAL A 116
ILE A 345
VAL A 349
LEU A 359
TRP A 387
ALA A 527
 None
None
None
SCL  A 700 ( 4.6A)
None
None
SCL  A 700 (-2.9A)
 0.62A 4m11D-1ebvA:
57.9		 4m11D-1ebvA:
64.49
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 MET A 238
ILE A 214
VAL A   8
LEU A   6
ALA A 230
 None
PO4  A1002 (-4.4A)
None
None
None
 1.28A 4m11D-1ixpA:
undetectable		 4m11D-1ixpA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ILE A 233
LEU A 157
LEU A 231
TRP A  46
VAL A 160
 None
None
None
None
5CA  A 512 (-4.3A)
 1.41A 4m11D-1nj1A:
0.0		 4m11D-1nj1A:
22.02
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		5 ILE A 194
LEU A 258
LEU A 190
ALA A 261
LEU A 280
 None
 1.13A 4m11D-1nrkA:
0.0		 4m11D-1nrkA:
19.57
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.
1pqw POLYKETIDE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N) 		5 VAL A  51
ILE A 134
VAL A 161
LEU A 136
LEU A  30
 None
 1.42A 4m11D-1pqwA:
undetectable		 4m11D-1pqwA:
16.18
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 VAL A 342
ILE A 395
VAL A 392
LEU A 390
LEU A 359
 None
 1.42A 4m11D-1rp1A:
0.0		 4m11D-1rp1A:
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 VAL A 297
ILE A 281
LEU A 329
LEU A 322
ALA A 287
 None
 1.10A 4m11D-1rzmA:
0.0		 4m11D-1rzmA:
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.
1t0a 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Shewanella
oneidensis) 		PF02542
(YgbB) 		5 ILE A 129
VAL A 131
LEU A 118
VAL A 150
ALA A 152
 None
 1.17A 4m11D-1t0aA:
undetectable		 4m11D-1t0aA:
14.86
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.
1u7n FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Enterococcus
faecalis) 		PF02504
(FA_synthesis) 		5 MET A 315
VAL A 166
ARG A 167
ILE A 294
SER A 124
 None
 1.45A 4m11D-1u7nA:
undetectable		 4m11D-1u7nA:
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.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		5 VAL A 271
ILE A 299
LEU A 224
VAL A 209
ALA A 202
 None
 1.03A 4m11D-1uh9A:
undetectable		 4m11D-1uh9A:
19.59
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.
1xtj PROBABLE
ATP-DEPENDENT RNA
HELICASE P47

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 MET A 140
VAL A 143
VAL A 100
LEU A 104
VAL A 170
 None
 1.47A 4m11D-1xtjA:
undetectable		 4m11D-1xtjA:
23.10
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 VAL A 122
ILE A 113
LEU A 113
ALA A  54
SER A  58
 None
 1.09A 4m11D-1ygpA:
undetectable		 4m11D-1ygpA:
20.74
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 VAL A 122
ILE A 113
LEU A 113
VAL A  35
ALA A  54
 None
 0.96A 4m11D-1ygpA:
undetectable		 4m11D-1ygpA:
20.74
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL A 658
ILE A 566
VAL A 568
LEU A 588
LEU A 561
 None
 1.47A 4m11D-2b8eA:
undetectable		 4m11D-2b8eA:
16.96
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 VAL A  75
VAL A  32
LEU A   7
LEU A  60
ALA A  50
 None
 1.43A 4m11D-2bexA:
undetectable		 4m11D-2bexA:
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.
2bht CYSTEINE SYNTHASE B

(Escherichia
coli) 		PF00291
(PALP) 		5 MET A  19
ILE A 250
LEU A 244
VAL A 170
ALA A 277
 None
 1.46A 4m11D-2bhtA:
undetectable		 4m11D-2bhtA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d13 HYPOTHETICAL PROTEIN
PH1257

(Pyrococcus
horikoshii) 		PF01902
(Diphthami_syn_2) 		5 MET A  37
VAL A  35
VAL A 111
LEU A  82
VAL A 119
 None
 1.46A 4m11D-2d13A:
undetectable		 4m11D-2d13A:
17.34
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 VAL A  35
VAL A 205
ALA A 218
SER A  18
LEU A 219
 None
 1.41A 4m11D-2janA:
undetectable		 4m11D-2janA:
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		5 VAL A 109
ILE A  46
LEU A  47
ALA A 181
LEU A 156
 None
 1.15A 4m11D-2jkyA:
undetectable		 4m11D-2jkyA:
16.22
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.
2mbm TOP7 FOLD PROTEIN
TOP7M13

(synthetic
construct) 		no annotation 5 VAL A   8
ILE A  80
VAL A  84
LEU A  88
LEU A  81
 None
 1.07A 4m11D-2mbmA:
undetectable		 4m11D-2mbmA:
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.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 VAL A 360
ILE A 413
VAL A 410
LEU A 408
LEU A 377
 None
 1.48A 4m11D-2pplA:
undetectable		 4m11D-2pplA:
20.78
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 166
VAL A 155
LEU A 159
VAL A 282
ALA A 260
 None
 1.25A 4m11D-2qygA:
undetectable		 4m11D-2qygA:
21.66
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.
2rjn RESPONSE REGULATOR
RECEIVER:METAL-DEPEN
DENT
PHOSPHOHYDROLASE, HD
SUBDOMAIN

(Neptuniibacter
caesariensis) 		PF00072
(Response_reg) 		5 ILE A  34
VAL A  10
LEU A  54
LEU A  12
VAL A 119
 None
 1.10A 4m11D-2rjnA:
undetectable		 4m11D-2rjnA:
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 VAL I 658
ILE I 566
VAL I 568
LEU I 588
LEU I 561
 None
 1.48A 4m11D-2voyI:
undetectable		 4m11D-2voyI:
11.65
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.
2vq2 PUTATIVE FIMBRIAL
BIOGENESIS AND
TWITCHING MOTILITY
PROTEIN

(Neisseria
meningitidis) 		PF13429
(TPR_15) 		5 MET A  47
ILE A  59
VAL A  85
ALA A  89
SER A  92
 None
 1.34A 4m11D-2vq2A:
undetectable		 4m11D-2vq2A:
16.76
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 VAL A 290
ILE A 363
VAL A 362
LEU A 366
VAL A   9
 None
 0.77A 4m11D-3bn1A:
undetectable		 4m11D-3bn1A:
19.64
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.
3d01 UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF14588
(YjgF_endoribonc) 		5 VAL A 132
ILE A  84
VAL A  88
LEU A  92
LEU A  85
 None
 1.06A 4m11D-3d01A:
undetectable		 4m11D-3d01A:
14.63
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.
3dnp STRESS RESPONSE
PROTEIN YHAX

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 MET A 230
ILE A  64
VAL A 207
LEU A 211
LEU A 204
 None
 1.48A 4m11D-3dnpA:
undetectable		 4m11D-3dnpA:
19.56
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.
3egh SPINOPHILIN

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ILE C 510
VAL C 528
LEU C 549
ALA C 537
LEU C 506
 None
 1.12A 4m11D-3eghC:
undetectable		 4m11D-3eghC:
14.42
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.
3ez1 AMINOTRANSFERASE
MOCR FAMILY

(Deinococcus
geothermalis) 		PF12897
(Aminotran_MocR) 		5 MET A 404
VAL A 407
ILE A 347
LEU A 390
ALA A 336
 None
 1.22A 4m11D-3ez1A:
undetectable		 4m11D-3ez1A:
20.55
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.
3fyq CG6831-PA (TALIN)

(Drosophila
melanogaster) 		no annotation 5 ILE A2090
VAL A2093
LEU A2137
LEU A2001
ALA A2070
 None
 1.26A 4m11D-3fyqA:
undetectable		 4m11D-3fyqA:
15.24
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.
3gk0 PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF03740
(PdxJ) 		5 MET A 245
ILE A 221
VAL A  15
LEU A  13
ALA A 237
 None
 1.30A 4m11D-3gk0A:
undetectable		 4m11D-3gk0A:
18.59
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.
3hjl FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Aquifex
aeolicus) 		PF01706
(FliG_C)
PF14841
(FliG_M)
PF14842
(FliG_N) 		5 ILE A 112
LEU A 136
LEU A 181
ALA A 121
SER A 117
 None
 1.48A 4m11D-3hjlA:
undetectable		 4m11D-3hjlA:
21.09
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.
3hrg UNCHARACTERIZED
PROTEIN BT_3980 WITH
ACTIN-LIKE ATPASE
FOLD

(Bacteroides
thetaiotaomicron) 		PF12864
(DUF3822) 		5 VAL A 202
ILE A 235
LEU A 227
VAL A 166
ALA A 164
 None
 1.37A 4m11D-3hrgA:
undetectable		 4m11D-3hrgA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH

(Vibrio cholerae) 		PF00215
(OMPdecase) 		5 VAL A  86
VAL A 101
LEU A 105
ALA A  76
LEU A  72
 None
 1.11A 4m11D-3jr2A:
undetectable		 4m11D-3jr2A:
16.76
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 LEU A 207
VAL A 319
ALA A 228
SER A 232
LEU A 231
 None
 1.49A 4m11D-3lg5A:
undetectable		 4m11D-3lg5A:
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.
3mbh PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacteroides
thetaiotaomicron) 		PF08543
(Phos_pyr_kin) 		5 MET A 132
VAL A  12
LEU A  40
LEU A  85
TRP A  70
 None
 1.36A 4m11D-3mbhA:
undetectable		 4m11D-3mbhA:
18.20
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C) 		5 ILE A 450
VAL A 449
LEU A 373
LEU A 453
VAL A 553
 None
 1.16A 4m11D-3mwtA:
undetectable		 4m11D-3mwtA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqw CG11900

(Drosophila
melanogaster) 		PF13328
(HD_4) 		5 ILE A  50
VAL A  55
LEU A  44
VAL A  90
ALA A 116
 None
 1.30A 4m11D-3nqwA:
undetectable		 4m11D-3nqwA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nr1 HD DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13328
(HD_4) 		5 ILE A  49
VAL A  54
LEU A  43
VAL A  89
ALA A 115
 None
 1.29A 4m11D-3nr1A:
undetectable		 4m11D-3nr1A:
16.70
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.
3q7b NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ILE A 450
VAL A 449
LEU A 373
LEU A 453
VAL A 553
 None
 1.10A 4m11D-3q7bA:
undetectable		 4m11D-3q7bA:
18.78
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.
3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Bartonella
henselae) 		PF00698
(Acyl_transf_1) 		5 ILE A 160
VAL A 145
LEU A 140
VAL A 184
ALA A 181
 None
 1.50A 4m11D-3qatA:
undetectable		 4m11D-3qatA:
18.57
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 VAL A  83
ILE A  98
VAL A 127
LEU A 166
LEU A 118
 None
 1.17A 4m11D-3vywA:
undetectable		 4m11D-3vywA:
20.43
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.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 VAL A  21
ILE A 111
LEU A  79
VAL A  25
ALA A 117
 None
 1.12A 4m11D-4a3rA:
undetectable		 4m11D-4a3rA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3s IMINE REDUCTASE

(Nocardiopsis
halophila) 		PF03446
(NAD_binding_2) 		5 VAL A  81
ILE A  94
VAL A  68
LEU A  70
ALA A  61
 None
 1.16A 4m11D-4d3sA:
undetectable		 4m11D-4d3sA:
20.15
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.
4di4 TATP(T) (TP0957)

(Treponema
pallidum) 		PF03480
(DctP) 		5 ILE B 232
LEU B  28
VAL B 255
ALA B 252
LEU B 249
 None
 1.50A 4m11D-4di4B:
undetectable		 4m11D-4di4B:
19.41
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		5 VAL A 430
ILE A 564
LEU A 550
TRP A 376
ALA A 335
 None
 1.36A 4m11D-4dxbA:
1.3		 4m11D-4dxbA:
21.38
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 ILE A 438
VAL A 442
LEU A 439
SER A 343
LEU A 342
 None
 0.95A 4m11D-4f7zA:
undetectable		 4m11D-4f7zA:
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.
4g9z NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ILE A 450
VAL A 449
LEU A 373
LEU A 453
VAL A 553
 None
 1.05A 4m11D-4g9zA:
undetectable		 4m11D-4g9zA:
17.74
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 ILE M 400
VAL M 399
LEU L 167
VAL M 295
LEU M 269
 None
 1.38A 4m11D-4heaM:
undetectable		 4m11D-4heaM:
21.54
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.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 VAL A 368
ILE A 281
LEU A 273
VAL A 297
ALA A 294
 None
 1.37A 4m11D-4k05A:
undetectable		 4m11D-4k05A:
21.59
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.
4lj2 CHORISMATE SYNTHASE

(Acinetobacter
baumannii) 		PF01264
(Chorismate_synt) 		5 VAL A 339
ILE A 276
LEU A 226
VAL A 151
ALA A 211
 None
 1.20A 4m11D-4lj2A:
undetectable		 4m11D-4lj2A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A 274
VAL A 298
LEU A 324
LEU A 295
LEU A 288
 None
 1.34A 4m11D-4lxrA:
undetectable		 4m11D-4lxrA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		5 MET A 284
VAL A 216
VAL A 245
ALA A 249
LEU A 253
 None
 0.88A 4m11D-4o48A:
0.9		 4m11D-4o48A:
19.47
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.
4oki PHTHIOCEROL
SYNTHESIS POLYKETIDE
SYNTHASE TYPE I PPSC

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N) 		5 VAL A 707
ILE A 790
VAL A 817
LEU A 792
LEU A 686
 None
 1.45A 4m11D-4okiA:
undetectable		 4m11D-4okiA:
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.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		5 MET A   1
VAL A  29
LEU A  51
ALA A 141
LEU A 145
 None
 1.13A 4m11D-4oxxA:
undetectable		 4m11D-4oxxA:
14.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 MET A 114
LEU A 353
TRP A 388
VAL A 524
ALA A 528
 None
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
 0.74A 4m11D-4ph9A:
63.6		 4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 MET A 114
VAL A 117
ARG A 121
ILE A 346
VAL A 350
LEU A 360
TRP A 388
VAL A 524
ALA A 528
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
None
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
 0.54A 4m11D-4ph9A:
63.6		 4m11D-4ph9A:
99.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 MET A 114
VAL A 117
ARG A 121
VAL A 350
LEU A 360
ALA A 528
SER A 531
 None
BOG  A 604 (-3.9A)
BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.78A 4m11D-4ph9A:
63.6		 4m11D-4ph9A:
99.64
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		5 VAL A  67
ILE A  34
LEU A  35
VAL A   4
ALA A  81
 None
 1.43A 4m11D-4to8A:
undetectable		 4m11D-4to8A:
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 VAL A 266
LEU A 278
LEU A 268
VAL A 302
LEU A 431
 None
 1.23A 4m11D-4u3tA:
undetectable		 4m11D-4u3tA:
20.04
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 MET A 124
VAL A 126
VAL A 236
ALA A 224
LEU A 242
 NDP  A1316 ( 3.9A)
None
None
None
None
 1.49A 4m11D-4up3A:
undetectable		 4m11D-4up3A:
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.
4xv0 BETA-XYLANASE

(Trichoderma
reesei) 		PF00331
(Glyco_hydro_10) 		5 VAL A 244
ILE A 216
VAL A 174
VAL A 157
ALA A 205
 GOL  A 411 (-4.4A)
None
None
None
None
 1.46A 4m11D-4xv0A:
undetectable		 4m11D-4xv0A:
18.18
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.
4zyl RPHYB PROTEIN

(Rhodopseudomonas
palustris) 		PF00072
(Response_reg) 		5 ILE A 114
VAL A  82
LEU A  85
VAL A  67
LEU A  71
 None
 1.44A 4m11D-4zylA:
undetectable		 4m11D-4zylA:
13.77
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		5 VAL C 159
LEU C 160
TRP C 205
VAL C 198
LEU C 178
 None
 1.36A 4m11D-5b57C:
undetectable		 4m11D-5b57C:
19.85
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.
5bs1 CRRBCX-IIA

(Chlamydomonas
reinhardtii) 		PF02341
(RcbX) 		5 MET A 105
VAL A 108
VAL A  66
LEU A 119
ALA A  84
 LEU  A 119 ( 3.8A)
VAL  A 108 ( 0.6A)
VAL  A  66 ( 0.6A)
LEU  A 119 ( 0.6A)
ALA  A  84 ( 0.0A)
 1.17A 4m11D-5bs1A:
2.2		 4m11D-5bs1A:
12.66
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 VAL A  58
ILE A 216
LEU A  70
VAL A  76
LEU A 223
 None
 1.26A 4m11D-5fg3A:
undetectable		 4m11D-5fg3A:
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.
5gy2 FLAGELLIN

(Bacillus
subtilis) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 VAL C 172
ILE C 196
VAL C 199
LEU C  80
LEU C  87
 None
 1.35A 4m11D-5gy2C:
undetectable		 4m11D-5gy2C:
16.00
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 LEU A 273
LEU A 291
ALA A 325
SER A 327
LEU A 326
 None
 1.21A 4m11D-5h05A:
undetectable		 4m11D-5h05A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE

(Saccharomyces
cerevisiae) 		PF04752
(ChaC) 		5 MET A 141
ILE A  28
VAL A  96
LEU A  11
VAL A 124
 None
 1.40A 4m11D-5hwiA:
undetectable		 4m11D-5hwiA:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 MET A 113
ARG A 120
ILE A 345
VAL A 349
LEU A 352
LEU A 359
TRP A 387
VAL A 523
ALA A 527
SER A 530
 None
ID8  A 601 ( 4.4A)
None
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
None
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.46A 4m11D-5ikrA:
62.4		 4m11D-5ikrA:
88.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 MET A 113
VAL A 116
ILE A 345
VAL A 349
LEU A 352
LEU A 359
TRP A 387
VAL A 523
ALA A 527
SER A 530
 None
None
None
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
None
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.57A 4m11D-5ikrA:
62.4		 4m11D-5ikrA:
88.20
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.
5j5v IMMUNITY PROTEIN
CDII

(Escherichia
coli) 		no annotation 5 ILE C 100
VAL C  60
LEU C  43
LEU C  64
ALA C  81
 None
 1.17A 4m11D-5j5vC:
undetectable		 4m11D-5j5vC:
13.78
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		5 VAL A 166
ILE A 428
VAL A 393
LEU A 432
TRP A 116
 None
 1.37A 4m11D-5jy9A:
undetectable		 4m11D-5jy9A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 VAL B 145
ILE B  58
VAL B 114
VAL B  90
ALA B 101
 None
 1.26A 4m11D-5ldrB:
undetectable		 4m11D-5ldrB:
21.14
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.
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		5 VAL A1369
LEU A1260
ALA A1647
SER A1643
LEU A1644
 None
 1.04A 4m11D-5lkzA:
1.9		 4m11D-5lkzA:
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.
5loi RAD26

(Thermothelomyces
thermophila) 		PF12331
(DUF3636) 		5 ILE A 813
LEU A 800
VAL A 679
ALA A 683
LEU A 687
 None
 1.42A 4m11D-5loiA:
1.6		 4m11D-5loiA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 ILE A  82
LEU A  79
VAL A 181
ALA A 179
SER A 178
 None
None
None
None
FRU  A 707 (-2.7A)
 0.96A 4m11D-5n6vA:
undetectable		 4m11D-5n6vA:
10.69
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 ILE A 567
LEU A 369
VAL A 389
ALA A 475
SER A 473
 None
 1.31A 4m11D-5n6vA:
undetectable		 4m11D-5n6vA:
10.69
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.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD) 		5 VAL J 463
VAL J 452
LEU J 404
LEU J 454
LEU J 356
 None
 1.06A 4m11D-5nilJ:
undetectable		 4m11D-5nilJ:
22.21
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.
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 MET A 157
VAL A 160
VAL A 117
LEU A 121
VAL A 189
 None
 1.40A 4m11D-5supA:
undetectable		 4m11D-5supA:
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.
5suq ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 MET A 157
VAL A 160
VAL A 117
LEU A 121
VAL A 189
 None
 1.40A 4m11D-5suqA:
undetectable		 4m11D-5suqA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ARG A  93
VAL A  97
LEU A 101
TRP A  49
ALA A  20
 EDO  A 506 (-3.6A)
None
None
None
EDO  A 506 ( 4.9A)
 1.07A 4m11D-5tp4A:
undetectable		 4m11D-5tp4A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tuf TETRACYCLINE
DESTRUCTASE TET(50)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 ILE A  51
LEU A 334
LEU A 384
TRP A 279
ALA A 309
 None
 1.31A 4m11D-5tufA:
undetectable		 4m11D-5tufA:
21.81
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 ARG A 121
LEU A  15
VAL A 117
ALA A 100
LEU A  99
 None
 1.50A 4m11D-5twtA:
1.2		 4m11D-5twtA:
19.79
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 VAL A 259
ILE A 392
VAL A 353
ALA A 357
SER A 360
 None
 0.80A 4m11D-6at7A:
undetectable		 4m11D-6at7A:
8.71
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.
6bka NITRONATE
MONOOXYGENASE

(Cyberlindnera
mrakii) 		no annotation 5 MET A  46
VAL A  74
LEU A  76
ALA A  32
LEU A  29
 None
 1.40A 4m11D-6bkaA:
undetectable		 4m11D-6bkaA:
8.79
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 MET A 675
ILE A 696
LEU A 694
VAL A 724
LEU A 707
 None
 1.39A 4m11D-6d6yA:
undetectable		 4m11D-6d6yA:
9.32