SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOX_A_CLSA205

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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PRO A 195
GLY A  18
ASN A 152
PHE A  55
LEU A  59
 GDP  A 500 (-4.3A)
GDP  A 500 (-3.2A)
GDP  A 500 (-3.2A)
None
None
 1.47A 4koxA-1jnyA:
0.0		 4koxA-1jnyA:
17.63
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		5 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
 PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
 1.38A 4koxA-1v0fA:
0.0		 4koxA-1v0fA:
12.37
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.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		5 CYH A  27
PRO A  25
ARG A  33
TYR A 188
GLY A  29
 None
 1.41A 4koxA-1vjgA:
0.6		 4koxA-1vjgA:
22.12
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A1455
ASN A1458
MET A1456
ARG A1507
LEU A1477
 None
 1.30A 4koxA-2vz9A:
undetectable		 4koxA-2vz9A:
4.96
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.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		5 PRO A  76
ARG A  78
GLY A  93
PHE A  16
TYR A 101
 None
 1.31A 4koxA-3fvbA:
undetectable		 4koxA-3fvbA:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 ARG A  49
TYR A  68
GLY A  79
ASN A  66
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
EDO  A 176 ( 4.8A)
 1.39A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
 1.35A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.37A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
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.
3rh2 HYPOTHETICAL
TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Shewanella
amazonensis) 		PF00440
(TetR_N)
PF13972
(TetR) 		5 TYR A  96
GLY A 156
MET A 153
PHE A  65
LEU A  61
 None
UNL  A 301 ( 4.7A)
None
UNL  A 301 ( 4.2A)
None
 1.43A 4koxA-3rh2A:
undetectable		 4koxA-3rh2A:
20.35
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 PRO A  30
ARG A  48
GLY A  67
PHE A 168
LEU A 172
 None
 1.31A 4koxA-3sl1A:
undetectable		 4koxA-3sl1A:
16.13
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 TYR A 337
GLY A 338
ASN A 339
ARG A 232
LEU A 233
 None
 0.95A 4koxA-4cp6A:
undetectable		 4koxA-4cp6A:
13.71
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 TYR A  94
GLY A  93
ASN A 330
TYR A 281
ARG A 190
 None
MLI  A 503 (-3.6A)
MLI  A 503 (-4.1A)
None
PO4  A 506 (-3.7A)
 1.45A 4koxA-4dwqA:
undetectable		 4koxA-4dwqA:
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		5 GLY A 237
ASN A 259
MET A 239
PHE A 218
TYR A 161
 None
 1.29A 4koxA-4fcgA:
undetectable		 4koxA-4fcgA:
20.49
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 PRO A  31
GLY A  55
PHE A  33
TYR A 195
LEU A  59
 None
 1.28A 4koxA-5gw7A:
undetectable		 4koxA-5gw7A:
13.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 ARG A  49
TYR A  68
GLY A  79
ASN A  66
TYR A 128
 93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
93M  A 207 (-4.9A)
 1.36A 4koxA-5vdbA:
32.1		 4koxA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 93M  A 207 (-4.6A)
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
93M  A 207 (-4.9A)
None
93M  A 207 (-4.9A)
SO4  A 206 (-3.0A)
93M  A 207 (-4.6A)
 0.28A 4koxA-5vdbA:
32.1		 4koxA-5vdbA:
100.00