SIMILAR PATTERNS OF AMINO ACIDS FOR 4XQE_A_AG2A505

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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 ALA O  32
ASN O   7
GLU O  72
TYR O  93
THR O  34
 None
None
None
None
SO4  O 605 (-4.0A)
 1.33A 4xqeA-1b7gO:
10.9		 4xqeA-1b7gO:
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.
1gu1 3-DEHYDROQUINATE
DEHYDRATASE

(Streptomyces
coelicolor) 		PF01220
(DHquinase_II) 		5 ALA A  81
ASN A  79
PRO A  80
TYR A 138
LEU A  17
 FA1  A 201 (-3.7A)
FA1  A 201 (-3.0A)
None
None
GOL  A 202 (-4.6A)
 1.36A 4xqeA-1gu1A:
4.1		 4xqeA-1gu1A:
18.38
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 ASN A 397
PRO A 288
SER A 249
ASP A  20
LEU A  19
 None
HEM  A1414 ( 4.5A)
None
None
None
 0.83A 4xqeA-1gwiA:
undetectable		 4xqeA-1gwiA:
24.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		11 ALA A 158
ASN A 159
PRO A 160
GLU A 207
TRP A 226
GLU A 234
TYR A 319
TYR A 321
ASP A 357
LEU A 359
THR A 392
 NAD  A 501 (-3.3A)
NAD  A 501 (-4.5A)
NAD  A 501 (-3.8A)
None
None
None
None
None
None
None
None
 0.51A 4xqeA-2ph5A:
54.5		 4xqeA-2ph5A:
45.19
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.
3akk CTKA

(Helicobacter
pylori) 		PF07804
(HipA_C) 		5 ALA A 188
ASN A  52
PRO A 186
SER A  56
ASP A 190
 None
 1.46A 4xqeA-3akkA:
undetectable		 4xqeA-3akkA:
21.03
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 ALA A 250
GLU A 222
SER A 240
TYR A  82
LEU A 289
 None
None
LLP  A 243 ( 3.8A)
None
None
 1.47A 4xqeA-3hvyA:
2.8		 4xqeA-3hvyA:
22.39
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.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		5 ALA A 235
PRO A 264
ASP A 184
LEU A 200
THR A 230
 None
 1.26A 4xqeA-3i4eA:
0.0		 4xqeA-3i4eA:
24.08
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.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 GLU A 202
TYR A 111
TYR A  96
ASP A  57
LEU A  59
 None
 1.21A 4xqeA-3wp5A:
undetectable		 4xqeA-3wp5A:
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.
4ag4 MONOCLONAL ANTIBODY
3E3 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H 201
PRO H 200
TYR H 145
TYR H 175
THR H 110
 None
 1.40A 4xqeA-4ag4H:
undetectable		 4xqeA-4ag4H:
17.86
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASN A 815
GLU A1517
SER A1623
TYR A 955
THR A1543
 GOL  A2796 (-3.3A)
GOL  A2796 (-3.6A)
None
GOL  A2796 ( 4.5A)
None
 1.32A 4xqeA-4aygA:
undetectable		 4xqeA-4aygA:
18.66
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 380
ASN A 407
PRO A 408
GLU A 460
TYR A 462
 UML  A 598 ( 4.1A)
UML  A 598 (-4.5A)
None
UML  A 598 (-3.1A)
None
 1.42A 4xqeA-4c13A:
3.6		 4xqeA-4c13A:
23.52
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.
4kv7 PROBABLE
LEUCINE/ISOLEUCINE/V
ALINE-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13458
(Peripla_BP_6) 		5 ALA A 131
PRO A 129
SER A 200
TYR A 171
LEU A 155
 None
FMT  A 501 (-4.8A)
None
FMT  A 501 (-4.6A)
None
 1.33A 4xqeA-4kv7A:
5.1		 4xqeA-4kv7A:
23.29
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.
4l8l 3-DEHYDROQUINATE
DEHYDRATASE 1

(Pseudomonas
aeruginosa) 		PF01220
(DHquinase_II) 		5 ALA A  77
ASN A  75
PRO A  76
TYR A 133
LEU A  12
 None
 1.36A 4xqeA-4l8lA:
4.9		 4xqeA-4l8lA:
16.06
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		5 ALA K 859
ASN K 845
GLU K 947
SER K 948
THR K 849
 None
 1.32A 4xqeA-5anbK:
1.4		 4xqeA-5anbK:
18.52
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 GLU A 244
TYR A 144
TYR A 121
ASP A  81
LEU A  83
 None
 1.08A 4xqeA-5gv1A:
undetectable		 4xqeA-5gv1A:
20.32
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.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 GLU A 244
TYR A 144
TYR A 121
ASP A  81
LEU A  83
 None
 1.05A 4xqeA-5gygA:
undetectable		 4xqeA-5gygA:
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.
5hss LINALOOL
DEHYDRATASE/ISOMERAS
E

(Castellaniella
defragrans) 		no annotation 5 GLU A 344
TRP A  53
TYR A  70
LEU A 341
THR A  58
 None
None
None
64Z  A 402 (-4.7A)
None
 1.45A 4xqeA-5hssA:
undetectable		 4xqeA-5hssA:
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.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A 296
ASN A 261
PRO A 262
GLU A 361
TYR A 175
 None
None
None
K  A 402 (-4.2A)
None
 1.45A 4xqeA-5jzxA:
undetectable		 4xqeA-5jzxA:
25.29
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.
5l3r CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC
SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ALA A 219
PRO A 217
GLU B 347
ASP A 265
THR A 190
 MG  A 402 ( 3.7A)
None
GCP  B 401 (-3.5A)
MG  A 402 (-3.9A)
MG  A 402 ( 3.5A)
 1.45A 4xqeA-5l3rA:
2.7		 4xqeA-5l3rA:
21.92
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A 381
PRO A 383
GLU A 431
SER A 387
LEU A 407
 None
 1.43A 4xqeA-5v9xA:
3.0		 4xqeA-5v9xA:
12.44
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 466
PRO B 181
GLU B 191
GLU B 176
LEU B 458
 None
 1.33A 4xqeA-6f42B:
undetectable		 4xqeA-6f42B:
8.94