SIMILAR PATTERNS OF AMINO ACIDS FOR 5LG3_D_Z80D401_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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 ILE A 308
VAL A 267
GLU A 373
ASP A 313
ILE A 385
 AGS  A 800 (-3.9A)
AGS  A 800 ( 4.8A)
CA  A 801 ( 2.3A)
AGS  A 800 ( 4.4A)
AGS  A 800 (-4.3A)
 1.28A 5lg3D-1auxA:
0.0		 5lg3D-1auxA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 ILE A 109
VAL A  21
ASN A 395
ASP A 397
ILE A  71
 None
 1.47A 5lg3D-1ei6A:
0.9		 5lg3D-1ei6A:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ILE A 215
PHE A 136
VAL A 252
ASP A 220
ILE A 223
 None
 1.27A 5lg3D-1kclA:
0.5		 5lg3D-1kclA:
19.75
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01259
(SAICAR_synt) 		5 ILE A 125
VAL A 139
THR A 160
ASP A 215
ILE A 158
 None
None
None
SO4  A 308 ( 4.5A)
None
 1.45A 5lg3D-1obgA:
0.0		 5lg3D-1obgA:
21.22
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 ILE A 308
VAL A 267
GLU A 373
ASP A 313
ILE A 385
 ATP  A 800 (-4.1A)
ATP  A 800 (-4.3A)
CA  A 817 ( 2.2A)
ATP  A 800 (-3.6A)
ATP  A 800 ( 4.5A)
 1.16A 5lg3D-1pk8A:
0.0		 5lg3D-1pk8A:
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (SMALL CHAIN)

(Synechococcus
elongatus) 		no annotation 5 ILE M  30
VAL M 117
GLU M  86
ASP M  85
ILE M  42
 None
 1.50A 5lg3D-1rblM:
0.0		 5lg3D-1rblM:
16.55
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 102
VAL A  92
THR A 131
ASP A  97
ILE A 114
 None
 1.45A 5lg3D-1s5jA:
2.3		 5lg3D-1s5jA:
17.11
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 225
PHE A 235
VAL A 242
ASN A 260
GLU A 304
 None
None
None
None
LLP  A  83 ( 3.6A)
 1.28A 5lg3D-1tufA:
undetectable		 5lg3D-1tufA:
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Lactococcus
lactis) 		PF01634
(HisG) 		5 PHE E  57
VAL E  68
THR E  72
ASN E  76
ILE E  55
 None
 1.08A 5lg3D-1z7mE:
0.0		 5lg3D-1z7mE:
21.04
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 5 ILE A 249
PHE A  87
ASN A 128
ASP A 117
ILE A 119
 None
 1.47A 5lg3D-2cl2A:
undetectable		 5lg3D-2cl2A:
19.34
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.
2p0r CALPAIN-9

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 ILE A 117
PHE A 133
THR A 107
ASP A  88
ILE A 103
 None
None
None
CA  A1003 (-2.3A)
None
 1.35A 5lg3D-2p0rA:
undetectable		 5lg3D-2p0rA:
20.51
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.
2rkc HEMAGGLUTININ

(Measles
morbillivirus) 		PF00423
(HN) 		5 ILE A 306
VAL A 367
THR A 369
ASP A 347
ILE A 427
 None
 1.17A 5lg3D-2rkcA:
undetectable		 5lg3D-2rkcA:
21.08
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.
2w1p
AQUAPORIN PIP2-7 7

(Komagataella
pastoris) 		PF00230
(MIP) 		5 ILE A 131
PHE A 128
VAL A 120
THR A 116
GLU A  51
 None
 1.14A 5lg3D-2w1pA:
1.2		 5lg3D-2w1pA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 ILE A 194
PHE A 220
VAL A 134
THR A 131
ILE A 153
 None
None
None
C  A1261 (-3.0A)
C  A1261 (-4.3A)
 1.47A 5lg3D-2x63A:
undetectable		 5lg3D-2x63A:
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 180
PHE A 190
VAL A 197
ASN A 210
GLU A 246
 None
None
None
None
PLP  A 401 (-3.6A)
 1.28A 5lg3D-2yxxA:
undetectable		 5lg3D-2yxxA:
23.53
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 ILE A 673
PHE A 667
VAL A 654
THR A 691
ILE A 687
 None
 1.10A 5lg3D-2zj8A:
3.3		 5lg3D-2zj8A:
17.92
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.
3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16

(Homo sapiens) 		PF02760
(HIN) 		5 PHE A  41
VAL A  74
THR A  78
ASP A   6
ILE A  62
 None
 1.19A 5lg3D-3b6yA:
undetectable		 5lg3D-3b6yA:
20.95
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ILE A 247
VAL A 241
THR A 260
ASN A 258
ILE A 234
 None
 1.38A 5lg3D-3be7A:
undetectable		 5lg3D-3be7A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 ILE A 216
PHE A 137
VAL A 253
ASP A 221
ILE A 224
 None
 1.15A 5lg3D-3bmwA:
0.7		 5lg3D-3bmwA:
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.
3dbi SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ILE A 112
VAL A 148
ASN A 156
ASP A 137
ILE A 139
 None
 1.42A 5lg3D-3dbiA:
undetectable		 5lg3D-3dbiA:
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 231
PHE A 227
VAL A 237
THR A 171
ASP A 214
 None
 1.42A 5lg3D-3gfbA:
undetectable		 5lg3D-3gfbA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5e TRANSALDOLASE

(Corynebacterium
glutamicum) 		PF00923
(TAL_FSA) 		5 ILE A 158
VAL A 109
THR A 120
ASP A 152
ILE A 140
 None
 1.43A 5lg3D-3r5eA:
undetectable		 5lg3D-3r5eA:
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 274
PHE A 301
THR A 284
ASP A 269
ILE A 298
 None
 1.26A 5lg3D-3v4bA:
0.9		 5lg3D-3v4bA:
22.09
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 276
PHE A 303
THR A 286
ASP A 271
ILE A 300
 None
 1.17A 5lg3D-4e4fA:
undetectable		 5lg3D-4e4fA:
19.77
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 287
PHE A 314
THR A 297
ASP A 282
ILE A 311
 None
 1.19A 5lg3D-4il2A:
undetectable		 5lg3D-4il2A:
20.23
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 339
VAL A 320
THR A 306
ASP A 345
ILE A 337
 None
 1.48A 5lg3D-4izgA:
undetectable		 5lg3D-4izgA:
22.52
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 ILE A 206
PHE A 133
VAL A 243
ASP A 211
ILE A 214
 None
 1.32A 5lg3D-4jcmA:
undetectable		 5lg3D-4jcmA:
18.88
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 ILE A 565
PHE A 202
VAL A 424
ASN A 572
ILE A 305
 None
None
None
EDO  A 612 ( 4.5A)
None
 1.35A 5lg3D-4ph9A:
0.3		 5lg3D-4ph9A:
19.52
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 PHE A1573
VAL A1680
THR A1654
ASP A1797
ILE A1769
 None
 1.48A 5lg3D-4w82A:
undetectable		 5lg3D-4w82A:
22.13
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.
4wfw GENERAL SECRETION
PATHWAY PROTEIN B

(Dickeya
dadantii) 		PF16537
(T2SSB) 		5 PHE A 182
VAL A 146
ASN A 149
ASP A 189
TRP A 190
 None
 1.47A 5lg3D-4wfwA:
undetectable		 5lg3D-4wfwA:
14.01
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.
4y68 PUTATIVE
NISIN-RESISTANCE
PROTEIN

(Streptococcus
agalactiae) 		no annotation 5 ILE C 228
PHE C 245
THR C 234
ASN C 168
ASP C 164
 None
 1.19A 5lg3D-4y68C:
undetectable		 5lg3D-4y68C:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 ILE A  23
PHE A 126
THR A 149
ASP A 158
TRP A 160
 None
 1.28A 5lg3D-4yeuA:
29.4		 5lg3D-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 ILE A  23
PHE A 126
VAL A 147
THR A 149
TRP A 160
 None
 1.25A 5lg3D-4yeuA:
29.4		 5lg3D-4yeuA:
71.88
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.
5cvw BIFUNCTIONAL
HEMOLYSIN/ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF00353
(HemolysinCabind)
PF06594
(HCBP_related) 		5 ILE A1631
PHE A1592
VAL A1653
ASP A1628
ILE A1601
 None
 1.33A 5lg3D-5cvwA:
undetectable		 5lg3D-5cvwA:
18.89
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.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 5 ILE A 149
PHE A 165
THR A 139
ASP A 120
ILE A 135
 None
None
None
CA  A 501 (-2.2A)
None
 1.22A 5lg3D-6bdtA:
undetectable		 5lg3D-6bdtA:
15.44