SIMILAR PATTERNS OF AMINO ACIDS FOR 6CLX_B_SAMB401

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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		5 ALA A 133
GLY A  37
ARG A 107
SER A 112
PHE A 118
 None
 1.13A 6clxB-1hlgA:
undetectable		 6clxB-1hlgA:
22.25
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 417
ASP A 418
ARG A 116
SER A 413
ASP A 438
 None
 1.18A 6clxB-1yr2A:
1.4		 6clxB-1yr2A:
22.24
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ARG A 326
SER A 131
PHE A 128
VAL A 550
ASP A 560
 G6Q  A5001 (-3.9A)
None
None
None
None
 1.28A 6clxB-2o2cA:
2.9		 6clxB-2o2cA:
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.
2pyt ETHANOLAMINE
UTILIZATION PROTEIN
EUTQ

(Salmonella
enterica) 		PF06249
(EutQ) 		5 ALA A 221
GLY A 156
SER A 108
PHE A 109
ASP A 149
 None
 1.44A 6clxB-2pytA:
undetectable		 6clxB-2pytA:
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 390
GLY A 366
PHE A 385
VAL A 388
ASP A 207
 None
 1.38A 6clxB-2yquA:
3.5		 6clxB-2yquA:
24.84
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.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		5 ALA A 335
GLY A 373
ASP A 374
SER A 378
ASP A 401
 None
None
CA  A 625 (-3.0A)
None
None
 1.47A 6clxB-2zuyA:
undetectable		 6clxB-2zuyA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ARG A  82
ALA A 287
GLY A 290
ASP A 292
SER A 480
 None
 1.27A 6clxB-3do6A:
1.0		 6clxB-3do6A:
23.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		6 TRP A 133
GLY A 178
ASP A 200
SER A 227
PHE A 228
ASP A 247
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.6A)
 0.82A 6clxB-3i58A:
22.4		 6clxB-3i58A:
39.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 GLY A 190
ASP A 212
ARG A 213
PHE A 238
VAL A 249
 SAH  A 346 (-3.6A)
SAH  A 346 (-3.0A)
SAH  A 346 (-3.4A)
SAH  A 346 (-3.4A)
None
 1.30A 6clxB-3lstA:
18.4		 6clxB-3lstA:
35.00
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 GLY A  94
ASP A  96
SER A  81
PHE A  82
VAL A  31
 None
None
FMT  A 128 ( 3.0A)
None
None
 1.45A 6clxB-3slzA:
undetectable		 6clxB-3slzA:
18.54
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 ALA A 244
GLY A 200
ASP A 201
VAL A 183
ASP A 321
 None
 1.35A 6clxB-3ttbA:
undetectable		 6clxB-3ttbA:
22.20
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.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Salmonella
enterica) 		PF12710
(HAD) 		5 ARG A 108
ALA A 107
GLY A 102
ASP A  94
VAL A 152
 None
 1.27A 6clxB-4ezeA:
2.7		 6clxB-4ezeA:
25.78
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 ALA A 220
GLY A 236
ASP A 235
VAL A 203
ASP A 156
 None
 1.41A 6clxB-4hdjA:
undetectable		 6clxB-4hdjA:
27.38
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ARG A 621
ALA A 618
GLY A 254
ASP A 257
ARG A 645
 None
 1.40A 6clxB-4jc8A:
4.4		 6clxB-4jc8A:
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.
4kp4 OSMOLARITY SENSOR
PROTEIN ENVZ,
HISTIDINE KINASE

(Escherichia
coli;
Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ARG A1397
ALA A1396
GLY A1403
ARG A 246
SER A 242
 None
ANP  A1501 (-2.7A)
ANP  A1501 (-3.1A)
None
None
 1.42A 6clxB-4kp4A:
undetectable		 6clxB-4kp4A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 ALA A 212
ASP A 266
SER A 285
VAL A 186
ASP A 137
 None
GOL  A 502 ( 4.3A)
None
None
GOL  A 502 (-2.8A)
 1.29A 6clxB-4kq9A:
3.4		 6clxB-4kq9A:
22.51
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 ARG A 330
ALA A 329
GLY A 227
ARG A 224
PHE A 183
 None
 1.33A 6clxB-4pmuA:
1.2		 6clxB-4pmuA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 ARG A 330
ALA A 329
GLY A 227
PHE A 183
ASP A 151
 None
 1.38A 6clxB-4pmuA:
1.2		 6clxB-4pmuA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 ARG A 605
GLY A 458
ARG A 453
SER A 449
VAL A 463
 None
 1.33A 6clxB-4qnlA:
1.6		 6clxB-4qnlA:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4z2y CALO6

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ALA A 188
GLY A 184
ASP A 206
PHE A 234
ASP A 253
 None
 1.10A 6clxB-4z2yA:
24.7		 6clxB-4z2yA:
39.34
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ALA A 166
GLY A 202
ASP A 224
ARG A 225
ASP A 271
 None
None
EDO  A 504 (-4.0A)
None
AGI  A 501 (-2.4A)
 1.01A 6clxB-5i2hA:
22.0		 6clxB-5i2hA:
27.95
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ARG A 165
ALA A 166
GLY A 202
ASP A 224
ARG A 225
 AGI  A 501 (-2.8A)
None
None
EDO  A 504 (-4.0A)
None
 1.08A 6clxB-5i2hA:
22.0		 6clxB-5i2hA:
27.95
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.
5ldd MON1
CCZ1

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF03164
(Mon1)
PF08217
(DUF1712) 		5 ALA B 115
GLY A 272
ASP B 125
SER B 194
VAL A 274
 None
 1.46A 6clxB-5lddB:
undetectable		 6clxB-5lddB:
23.58
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ARG A 368
GLY A 357
ARG A 108
SER A 107
VAL A 353
 None
 1.19A 6clxB-5m8jA:
undetectable		 6clxB-5m8jA:
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.
5mmx CSPYL1_ABA

(Citrus sinensis) 		no annotation 5 GLY B 136
ASP B 126
ARG B 124
SER B 106
PHE B  81
 None
 1.31A 6clxB-5mmxB:
undetectable		 6clxB-5mmxB:
21.15