SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_E_SAME501

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.
1d02 TYPE II RESTRICTION
ENZYME MUNI

(Mycoplasma) 		PF11407
(RestrictionMunI) 		5 LEU A  49
HIS A  48
PRO A  46
GLY A 138
SER A  81
 None
 1.30A 5o96E-1d02A:
0.7
5o96F-1d02A:
0.0		 5o96E-1d02A:
20.45
5o96F-1d02A:
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.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 LEU A  25
PRO A 194
VAL A 231
LEU A  17
ARG A  16
 None
 1.29A 5o96E-1f2jA:
undetectable
5o96F-1f2jA:
0.0		 5o96E-1f2jA:
21.61
5o96F-1f2jA:
21.61
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.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 PRO A 194
SER A 187
VAL A 231
LEU A  17
ARG A  16
 None
 1.28A 5o96E-1f2jA:
undetectable
5o96F-1f2jA:
0.0		 5o96E-1f2jA:
21.61
5o96F-1f2jA:
21.61
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 217
HIS A 215
SER A 211
LEU A 199
ARG A 198
 None
 1.10A 5o96E-1hfuA:
undetectable
5o96F-1hfuA:
0.0		 5o96E-1hfuA:
20.34
5o96F-1hfuA:
20.34
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		5 LEU A  33
PRO A  42
GLY A  79
VAL A  96
LEU A 100
 None
 1.49A 5o96E-1kr1A:
0.0
5o96F-1kr1A:
0.0		 5o96E-1kr1A:
23.18
5o96F-1kr1A:
23.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
GLY A 195
VAL A 222
LEU A 223
ARG A 224
 None
 0.71A 5o96E-1nxzA:
22.7
5o96F-1nxzA:
30.1		 5o96E-1nxzA:
49.59
5o96F-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
PRO A 173
VAL A 222
LEU A 223
ARG A 224
 None
 0.81A 5o96E-1nxzA:
22.7
5o96F-1nxzA:
30.1		 5o96E-1nxzA:
49.59
5o96F-1nxzA:
49.59
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.
1sb7 TRNA PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF01142
(TruD) 		5 LEU A 308
GLY A 155
SER A 309
LEU A 148
ARG A 147
 None
 1.45A 5o96E-1sb7A:
undetectable
5o96F-1sb7A:
undetectable		 5o96E-1sb7A:
19.68
5o96F-1sb7A:
19.68
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.
1wwl MONOCYTE
DIFFERENTIATION
ANTIGEN CD14

(Mus musculus) 		no annotation 5 LEU A  94
GLY A  98
VAL A  38
LEU A  75
ARG A  74
 None
 1.41A 5o96E-1wwlA:
undetectable
5o96F-1wwlA:
0.0		 5o96E-1wwlA:
20.90
5o96F-1wwlA:
20.90
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 HIS B 134
PRO B 129
GLY B 132
VAL B 282
LEU B 262
 None
 1.22A 5o96E-1wytB:
0.0
5o96F-1wytB:
0.0		 5o96E-1wytB:
21.65
5o96F-1wytB:
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 HIS B 134
PRO B 129
SER B 279
VAL B 282
LEU B 262
 None
 1.38A 5o96E-1wytB:
0.0
5o96F-1wytB:
0.0		 5o96E-1wytB:
21.65
5o96F-1wytB:
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.
1xfa CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Mus musculus) 		PF00005
(ABC_tran)
PF14396
(CFTR_R) 		5 LEU A 619
HIS A 620
GLY A 461
SER A 624
LEU A 441
 None
None
ATP  A   1 (-3.2A)
None
None
 1.18A 5o96E-1xfaA:
0.3
5o96F-1xfaA:
0.0		 5o96E-1xfaA:
21.96
5o96F-1xfaA:
21.96
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.
2atc ASPARTATE
CARBAMOYLTRANSFERASE
, CATALYTIC CHAIN

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 259
HIS A 260
PRO A 261
VAL A 169
LEU A 172
 None
 1.48A 5o96E-2atcA:
3.8
5o96F-2atcA:
undetectable		 5o96E-2atcA:
23.19
5o96F-2atcA:
23.19
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.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A1093
GLY A1088
VAL A1130
LEU A1131
ARG A1127
 None
None
None
None
EDO  A2187 (-4.7A)
 1.26A 5o96E-2bzlA:
undetectable
5o96F-2bzlA:
undetectable		 5o96E-2bzlA:
22.62
5o96F-2bzlA:
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.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 LEU A 527
PRO A 123
GLY A 529
VAL A 406
LEU A 407
 None
 1.34A 5o96E-2cw7A:
undetectable
5o96F-2cw7A:
undetectable		 5o96E-2cw7A:
23.05
5o96F-2cw7A:
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 PRO A 184
GLY A 244
SER A 141
VAL A 187
LEU A 186
 NAD  A 257 (-4.1A)
None
NAD  A 257 (-3.1A)
NAD  A 257 (-4.1A)
NAD  A 257 (-4.7A)
 1.32A 5o96E-2ewmA:
3.2
5o96F-2ewmA:
1.9		 5o96E-2ewmA:
21.17
5o96F-2ewmA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 353
PRO A 377
GLY A 319
SER A 378
LEU A 384
 None
 1.47A 5o96E-2nqlA:
undetectable
5o96F-2nqlA:
undetectable		 5o96E-2nqlA:
22.68
5o96F-2nqlA:
22.68
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.
2oud DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00782
(DSPc) 		5 LEU A 455
PRO A 447
GLY A 453
LEU A 383
GLN A 381
 None
 1.49A 5o96E-2oudA:
undetectable
5o96F-2oudA:
undetectable		 5o96E-2oudA:
19.84
5o96F-2oudA:
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.
2pzf CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Homo sapiens) 		PF00005
(ABC_tran) 		5 LEU A 619
HIS A 620
GLY A 461
SER A 624
LEU A 441
 None
None
ATP  A   1 (-3.5A)
None
None
 1.19A 5o96E-2pzfA:
undetectable
5o96F-2pzfA:
undetectable		 5o96E-2pzfA:
21.80
5o96F-2pzfA:
21.80
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 LEU A  63
GLY A 305
SER A 256
VAL A 251
GLN A 247
 None
 1.43A 5o96E-2qneA:
1.5
5o96F-2qneA:
undetectable		 5o96E-2qneA:
19.48
5o96F-2qneA:
19.48
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE

(Alcaligenes sp.
AL3007) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU X 274
HIS X 276
SER X 273
VAL X 199
LEU X 200
 None
 1.45A 5o96E-2qvxX:
undetectable
5o96F-2qvxX:
undetectable		 5o96E-2qvxX:
19.24
5o96F-2qvxX:
19.24
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.
2rq7 ATP SYNTHASE EPSILON
CHAIN

(Spinacia
oleracea;
Thermosynechococcus
elongatus) 		PF00401
(ATP-synt_DE)
PF02823
(ATP-synt_DE_N) 		5 LEU A  44
PRO A  25
VAL A  48
LEU A  62
ARG A 120
 None
 1.37A 5o96E-2rq7A:
undetectable
5o96F-2rq7A:
undetectable		 5o96E-2rq7A:
20.08
5o96F-2rq7A:
20.08
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.
3c65 UVRABC SYSTEM
PROTEIN C

(Geobacillus
kaustophilus) 		PF08459
(UvrC_HhH_N) 		5 LEU A 369
HIS A  -2
GLY A 404
LEU A 449
ARG A 380
 None
 1.50A 5o96E-3c65A:
undetectable
5o96F-3c65A:
undetectable		 5o96E-3c65A:
19.47
5o96F-3c65A:
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.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		5 LEU A  34
PRO A  67
GLY A  21
VAL A  94
LEU A  72
 None
 1.41A 5o96E-3cjyA:
undetectable
5o96F-3cjyA:
undetectable		 5o96E-3cjyA:
21.79
5o96F-3cjyA:
21.79
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 LEU A 246
GLY A 196
SER A 247
LEU A 265
ARG A 234
 None
 1.34A 5o96E-3ecqA:
undetectable
5o96F-3ecqA:
undetectable		 5o96E-3ecqA:
9.72
5o96F-3ecqA:
9.72
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.
3iu1 GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A 301
PRO A 303
GLY A 446
SER A 300
LEU A 329
 None
 1.35A 5o96E-3iu1A:
undetectable
5o96F-3iu1A:
undetectable		 5o96E-3iu1A:
21.55
5o96F-3iu1A:
21.55
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.
3tpu 42F3 ALPHA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 HIS A  81
GLY A  61
SER A  85
LEU A  18
ARG A  76
 None
 1.31A 5o96E-3tpuA:
undetectable
5o96F-3tpuA:
undetectable		 5o96E-3tpuA:
20.54
5o96F-3tpuA:
20.54
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		5 LEU A 105
PRO A  85
GLY A 152
VAL A 113
LEU A 114
 None
 1.48A 5o96E-3tr1A:
undetectable
5o96F-3tr1A:
undetectable		 5o96E-3tr1A:
20.31
5o96F-3tr1A:
20.31
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.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 5 PRO B 185
GLY B 245
SER B 142
VAL B 188
LEU B 187
 None
None
GOL  B 268 ( 3.8A)
None
GOL  B 268 (-4.1A)
 1.29A 5o96E-3tzqB:
3.7
5o96F-3tzqB:
2.8		 5o96E-3tzqB:
22.77
5o96F-3tzqB:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 LEU B 490
GLY B  50
SER B 445
LEU B  47
ARG B  46
 None
None
FCO  B 500 (-2.8A)
None
None
 1.29A 5o96E-3ze7B:
undetectable
5o96F-3ze7B:
undetectable		 5o96E-3ze7B:
19.42
5o96F-3ze7B:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 LEU A 192
PRO A 183
GLY A 195
LEU A  10
ARG A  17
 None
 1.35A 5o96E-4a0mA:
2.6
5o96F-4a0mA:
undetectable		 5o96E-4a0mA:
18.62
5o96F-4a0mA:
18.62
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 LEU A 222
PRO A 224
GLY A 371
SER A 221
LEU A 255
 None
 1.32A 5o96E-4cgnA:
undetectable
5o96F-4cgnA:
undetectable		 5o96E-4cgnA:
19.90
5o96F-4cgnA:
19.90
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA
MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		PF00696
(AA_kinase)
PF00696
(AA_kinase) 		5 HIS A 168
PRO A 167
VAL A  98
LEU A 101
GLN B 179
 None
 1.38A 5o96E-4f6tA:
2.9
5o96F-4f6tA:
3.3		 5o96E-4f6tA:
23.10
5o96F-4f6tA:
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.
4gh4 CAPSID PROTEIN VP3

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		5 LEU C  91
GLY C  93
SER C 205
VAL C  47
LEU C  45
 None
 1.18A 5o96E-4gh4C:
undetectable
5o96F-4gh4C:
undetectable		 5o96E-4gh4C:
22.55
5o96F-4gh4C:
22.55
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 122
HIS A 120
PRO A 118
GLY A 124
LEU A 115
 None
 1.36A 5o96E-4h2hA:
2.6
5o96F-4h2hA:
undetectable		 5o96E-4h2hA:
22.78
5o96F-4h2hA:
22.78
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.
4l0j DNA HELICASE I

(Escherichia
coli) 		no annotation 5 PRO A 755
GLY A 751
LEU A 735
ARG A 734
GLN A 736
 None
 1.36A 5o96E-4l0jA:
undetectable
5o96F-4l0jA:
undetectable		 5o96E-4l0jA:
23.22
5o96F-4l0jA:
23.22
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.
4msv TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER 6

(Homo sapiens) 		PF00229
(TNF) 		5 LEU A 207
HIS A 209
SER A 262
VAL A 267
LEU A 266
 None
 1.49A 5o96E-4msvA:
undetectable
5o96F-4msvA:
undetectable		 5o96E-4msvA:
19.20
5o96F-4msvA:
19.20
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.
4ndw NUCLEOID-ASSOCIATED
PROTEIN ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  48
PRO A  56
GLY A  51
LEU A   9
ARG A  11
 None
 1.40A 5o96E-4ndwA:
undetectable
5o96F-4ndwA:
undetectable		 5o96E-4ndwA:
19.76
5o96F-4ndwA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmn TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		5 HIS A 120
GLY A 112
SER A 142
LEU A 160
ARG A 161
 None
 1.39A 5o96E-4pmnA:
undetectable
5o96F-4pmnA:
undetectable		 5o96E-4pmnA:
19.57
5o96F-4pmnA:
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.
4pmr TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		5 HIS A 120
GLY A 112
SER A 142
LEU A 160
ARG A 161
 None
NA  A 302 (-3.8A)
None
None
None
 1.37A 5o96E-4pmrA:
undetectable
5o96F-4pmrA:
undetectable		 5o96E-4pmrA:
20.99
5o96F-4pmrA:
20.99
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.
4q48 DNA HELICASE RECQ

(Deinococcus
radiodurans) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 GLY A 432
SER A 422
VAL A 439
LEU A 440
ARG A 443
 None
 1.39A 5o96E-4q48A:
undetectable
5o96F-4q48A:
undetectable		 5o96E-4q48A:
19.05
5o96F-4q48A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		5 LEU A 156
GLY A 161
SER A  74
VAL A  77
LEU A 247
 None
 1.40A 5o96E-4qa8A:
undetectable
5o96F-4qa8A:
undetectable		 5o96E-4qa8A:
23.88
5o96F-4qa8A:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 HIS A 230
GLY A 233
SER A  75
VAL A 241
ARG A 289
 None
PO4  A 402 (-3.4A)
None
None
PO4  A 401 (-3.5A)
 1.42A 5o96E-4tvvA:
1.6
5o96F-4tvvA:
undetectable		 5o96E-4tvvA:
20.25
5o96F-4tvvA:
20.25
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 LEU A 929
SER A 925
VAL A1043
LEU A1046
GLN A 981
 None
 1.30A 5o96E-4uwaA:
undetectable
5o96F-4uwaA:
undetectable		 5o96E-4uwaA:
5.22
5o96F-4uwaA:
5.22
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.
4w4t MXAA

(Stigmatella
aurantiaca) 		PF07993
(NAD_binding_4) 		5 LEU A1495
PRO A1489
GLY A1347
SER A1490
LEU A1377
 None
 1.41A 5o96E-4w4tA:
2.2
5o96F-4w4tA:
undetectable		 5o96E-4w4tA:
20.56
5o96F-4w4tA:
20.56
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.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 LEU M  21
HIS M   5
GLY M   8
VAL M  76
ARG M  79
 None
None
None
None
U  Q  36 ( 3.6A)
 1.19A 5o96E-4wj3M:
2.1
5o96F-4wj3M:
undetectable		 5o96E-4wj3M:
18.94
5o96F-4wj3M:
18.94
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		5 LEU A 120
GLY A 170
SER A  41
VAL A 160
LEU A 165
 None
 1.31A 5o96E-4wj3A:
undetectable
5o96F-4wj3A:
undetectable		 5o96E-4wj3A:
18.90
5o96F-4wj3A:
18.90
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.
4wrm MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR

(Homo sapiens) 		PF00047
(ig)
PF13927
(Ig_3) 		5 PRO A 455
GLY A 423
SER A 470
VAL A 457
LEU A 458
 None
 1.35A 5o96E-4wrmA:
undetectable
5o96F-4wrmA:
undetectable		 5o96E-4wrmA:
19.26
5o96F-4wrmA:
19.26
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 LEU A 161
PRO A 165
GLY A 159
LEU A 152
ARG A 217
 None
 1.31A 5o96E-4ybqA:
undetectable
5o96F-4ybqA:
undetectable		 5o96E-4ybqA:
19.11
5o96F-4ybqA:
19.11
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1647
SER A1832
VAL A1822
LEU A1821
GLN A1823
 None
 1.31A 5o96E-5a22A:
undetectable
5o96F-5a22A:
undetectable		 5o96E-5a22A:
7.85
5o96F-5a22A:
7.85
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.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 268
SER A 267
VAL A 238
LEU A 217
ARG A 216
 None
 1.29A 5o96E-5bohA:
undetectable
5o96F-5bohA:
undetectable		 5o96E-5bohA:
22.46
5o96F-5bohA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bpx 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE

(Alcaligenes sp.) 		PF07883
(Cupin_2) 		5 LEU A  94
HIS A 114
GLY A  92
VAL A  73
LEU A  72
 None
FE  A 201 ( 3.2A)
None
None
None
 1.27A 5o96E-5bpxA:
undetectable
5o96F-5bpxA:
undetectable		 5o96E-5bpxA:
19.20
5o96F-5bpxA:
19.20
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.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 PRO A 679
GLY A 709
VAL A 704
LEU A 705
ARG A 706
 None
 1.41A 5o96E-5h12A:
undetectable
5o96F-5h12A:
undetectable		 5o96E-5h12A:
17.48
5o96F-5h12A:
17.48
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.
5ilq ASPARTATE
CARBAMOYLTRANSFERASE

(Plasmodium
falciparum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 331
HIS A 332
PRO A 333
VAL A 228
LEU A 231
 None
 1.41A 5o96E-5ilqA:
3.5
5o96F-5ilqA:
undetectable		 5o96E-5ilqA:
19.84
5o96F-5ilqA:
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.
5lm9 TRANSCRIPTION
TERMINATION/ANTITERM
INATION PROTEIN NUSA

(Escherichia
coli) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		5 PRO A 169
GLY A 268
SER A 200
ARG A 233
GLN A 323
 None
None
None
SO4  A 503 ( 4.6A)
None
 1.30A 5o96E-5lm9A:
undetectable
5o96F-5lm9A:
undetectable		 5o96E-5lm9A:
22.49
5o96F-5lm9A:
22.49
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.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 5 LEU H  75
GLY H  73
VAL H 193
LEU H 192
ARG H 196
 None
 1.07A 5o96E-5mgyH:
undetectable
5o96F-5mgyH:
undetectable		 5o96E-5mgyH:
22.94
5o96F-5mgyH:
22.94
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.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 5 LEU A 209
HIS A 210
PRO A 211
GLY A 251
LEU A  69
 None
 1.10A 5o96E-5o16A:
undetectable
5o96F-5o16A:
undetectable		 5o96E-5o16A:
22.74
5o96F-5o16A:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 8 LEU A 173
HIS A 174
PRO A 175
GLY A 196
SER A 218
VAL A 223
LEU A 224
ARG A 225
 SAM  A 501 (-4.2A)
None
SAM  A 501 (-3.4A)
SAM  A 501 (-4.1A)
None
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-4.8A)
 0.69A 5o96E-5o96A:
37.4
5o96F-5o96A:
38.3		 5o96E-5o96A:
100.00
5o96F-5o96A:
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.
5ue0 CT622 PROTEIN

(Chlamydia
trachomatis) 		no annotation 5 LEU A 580
SER A 560
LEU A 609
ARG A 611
GLN A 608
 MLY  A 579 ( 4.6A)
None
None
None
None
 1.44A 5o96E-5ue0A:
undetectable
5o96F-5ue0A:
undetectable		 5o96E-5ue0A:
undetectable
5o96F-5ue0A:
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 LEU A 618
HIS A 619
GLY A 460
SER A 623
LEU A 440
 None
None
ATP  A1501 (-3.4A)
None
None
 1.25A 5o96E-5w81A:
undetectable
5o96F-5w81A:
undetectable		 5o96E-5w81A:
10.24
5o96F-5w81A:
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 5 LEU A 190
HIS A 189
VAL A 140
LEU A 159
ARG A 173
 None
 1.49A 5o96E-5zqjA:
undetectable
5o96F-5zqjA:
undetectable		 5o96E-5zqjA:
undetectable
5o96F-5zqjA:
undetectable