SIMILAR PATTERNS OF AMINO ACIDS FOR 3V3O_D_T1CD401_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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 HIS A  22
GLN A  73
ASN A  85
GLY A  77
GLY A  37
 None
 1.49A 3v3oD-1g0dA:
0.0		 3v3oD-1g0dA:
19.94
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 ASP A 565
HIS A 307
GLN A 507
ASN A 558
GLY A 508
 None
None
DHE  A 602 (-4.1A)
None
None
 1.47A 3v3oD-1gq1A:
0.0		 3v3oD-1gq1A:
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		5 HIS A 363
GLN A  67
PHE A  63
GLY A  64
GLY A  58
 BGC  A 442 ( 3.9A)
None
None
None
BGC  A 442 ( 4.9A)
 1.44A 3v3oD-1ia7A:
undetectable		 3v3oD-1ia7A:
20.00
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 ASP A 139
HIS A 151
GLY A 251
GLY A 117
MET A  79
 None
None
None
None
MPD  A3003 ( 4.0A)
 1.39A 3v3oD-1wz8A:
0.0		 3v3oD-1wz8A:
22.69
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.
2d4x FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 3

(Salmonella
enterica) 		PF00669
(Flagellin_N) 		5 ASP A 147
HIS A 154
GLN A 115
GLY A 116
GLY A 151
 None
 1.39A 3v3oD-2d4xA:
undetectable		 3v3oD-2d4xA:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		5 ASP A  13
HIS A 228
GLY A 312
GLY A 264
MET A 308
 ZN  A 401 (-3.1A)
ZN  A 402 (-3.4A)
None
None
None
 1.40A 3v3oD-2nxfA:
0.6		 3v3oD-2nxfA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb7 E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 HIS A 442
GLN A 499
ASN A 503
GLY A 483
GLY A 448
 None
 1.31A 3v3oD-2pb7A:
undetectable		 3v3oD-2pb7A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 ASP A 244
MET A 206
ASN A 271
GLY A 298
GLY A  26
 None
 1.39A 3v3oD-2pqdA:
0.5		 3v3oD-2pqdA:
21.49
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.27A 3v3oD-2wk2A:
0.0		 3v3oD-2wk2A:
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ARG A 319
PHE A  47
GLY A  48
GLY A 321
MET A 279
 None
 1.32A 3v3oD-2y24A:
undetectable		 3v3oD-2y24A:
24.04
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.
3dwh E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 HIS A 442
GLN A 499
ASN A 503
GLY A 483
GLY A 448
 None
 1.41A 3v3oD-3dwhA:
undetectable		 3v3oD-3dwhA:
18.02
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.
3hi0 PUTATIVE
EXOPOLYPHOSPHATASE

(Agrobacterium
fabrum) 		PF02541
(Ppx-GppA) 		5 ASP A 145
GLN A 234
PHE A 293
GLY A 235
GLY A 212
 None
 1.30A 3v3oD-3hi0A:
undetectable		 3v3oD-3hi0A:
21.64
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 HIS A 269
PHE A  66
ASN A  98
GLY A  76
GLY A 338
 None
 0.98A 3v3oD-3hm7A:
undetectable		 3v3oD-3hm7A:
23.62
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.
3hol TBPB

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ASP A 457
PHE A 431
ASN A 435
GLY A 393
GLY A 458
 None
 1.36A 3v3oD-3holA:
undetectable		 3v3oD-3holA:
22.11
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A 144
PHE A 153
ASN A 149
GLY A 152
GLY A 341
 CL  A 502 (-4.6A)
None
None
None
None
 1.13A 3v3oD-3ip1A:
3.1		 3v3oD-3ip1A:
21.25
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		5 ARG A 298
PHE A  19
GLY A  20
GLY A 300
MET A 257
 None
 1.44A 3v3oD-3kl0A:
undetectable		 3v3oD-3kl0A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 ASP A  61
HIS A  63
GLN A 192
ARG A 213
MET A 215
ASN A 226
GLY A 236
MET A 375
 None
None
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
None
None
 0.83A 3v3oD-3p9uA:
57.1		 3v3oD-3p9uA:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 HIS A  63
GLN A 192
ARG A 213
MET A 215
ASN A 226
GLY A 236
GLY A 321
MET A 375
 None
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
None
None
None
 0.76A 3v3oD-3p9uA:
57.1		 3v3oD-3p9uA:
99.74
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ARG A 295
PHE A  19
GLY A  20
GLY A 297
MET A 254
 None
 1.41A 3v3oD-4fmvA:
undetectable		 3v3oD-4fmvA:
22.27
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 HIS A  43
ARG A 251
ASN A 250
GLY A 220
GLY A  10
 None
 1.44A 3v3oD-4ijnA:
undetectable		 3v3oD-4ijnA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ASP A 464
PHE A 438
ASN A 442
GLY A 399
GLY A 465
 None
 1.33A 3v3oD-4o4xA:
undetectable		 3v3oD-4o4xA:
22.10
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		5 ARG A 297
PHE A  18
GLY A  19
GLY A 299
MET A 256
 None
 1.42A 3v3oD-4qawA:
undetectable		 3v3oD-4qawA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdf 3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE

(Rhodococcus
rhodochrous) 		PF00355
(Rieske) 		5 ASP B 305
HIS B 181
PHE B 297
GLY B 295
MET B 224
 FE2  B 401 ( 2.1A)
FE2  B 401 (-3.4A)
30Q  B 403 ( 4.7A)
None
None
 1.12A 3v3oD-4qdfB:
undetectable		 3v3oD-4qdfB:
22.53
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 5 HIS B 300
MET B 369
PHE B  17
GLY B  16
GLY B 203
 None
FAD  B 401 (-4.4A)
None
FAD  B 401 (-3.4A)
None
 1.31A 3v3oD-4rphB:
11.7		 3v3oD-4rphB:
22.95
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 309
ASN A 316
GLY A 312
GLY A 266
MET A 381
 PHE  A 309 ( 1.3A)
ASN  A 316 ( 0.6A)
GLY  A 312 ( 0.0A)
GLY  A 266 ( 0.0A)
MET  A 381 ( 0.0A)
 1.18A 3v3oD-5gprA:
undetectable		 3v3oD-5gprA:
21.89
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.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 5 GLN A 180
ARG A 134
ASN A 135
GLY A 183
GLY A 131
 None
 1.39A 3v3oD-5lw3A:
undetectable		 3v3oD-5lw3A:
22.43
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.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 GLN A 357
MET A 330
ASN A 348
GLY A 308
GLY A 300
 TRE  A 801 (-3.7A)
None
None
None
None
 1.35A 3v3oD-5m4aA:
undetectable		 3v3oD-5m4aA:
21.11
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.
5ot0 L-ASPARAGINASE

(Thermococcus
kodakarensis) 		no annotation 5 ASP A 197
HIS A 306
ARG A 100
ASN A 101
GLY A 139
 None
 1.39A 3v3oD-5ot0A:
undetectable		 3v3oD-5ot0A:
19.95
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 316
ASN A 323
GLY A 318
GLY A 273
MET A 390
 None
None
None
None
GOL  A 706 (-3.3A)
 1.24A 3v3oD-5zl9A:
undetectable		 3v3oD-5zl9A:
13.17
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 390
 None
None
None
None
GOL  A 706 (-3.3A)
 1.17A 3v3oD-5zl9A:
undetectable		 3v3oD-5zl9A:
13.17