SIMILAR PATTERNS OF AMINO ACIDS FOR 6B4Y_A_OAQA302

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.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		5 ASP A  79
LEU A  77
ASP A 139
THR A 169
THR A 129
 None
 1.47A 6b4yA-1ygaA:
undetectable		 6b4yA-1ygaA:
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.
1ylo HYPOTHETICAL PROTEIN
SF2450

(Shigella
flexneri) 		PF05343
(Peptidase_M42) 		5 ASP A 167
VAL A 299
ASP A 276
PHE A 278
THR A 283
 ZN  A1446 ( 4.5A)
None
None
None
None
 1.43A 6b4yA-1yloA:
1.2		 6b4yA-1yloA:
21.39
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.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		5 MET A  84
ILE A  18
VAL A  76
ASP A  24
PHE A  39
 None
 1.49A 6b4yA-2av9A:
undetectable		 6b4yA-2av9A:
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		5 MET G 112
LEU G 109
VAL G 142
MET G 309
THR G 306
 None
 1.35A 6b4yA-2nzuG:
1.3		 6b4yA-2nzuG:
22.98
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.
3a68 FERRITIN-4,
CHLOROPLASTIC

(Glycine max) 		PF00210
(Ferritin) 		5 ILE A 181
LEU A 142
VAL A  59
THR A 143
MET A  66
 None
None
None
CA  A 214 ( 4.4A)
None
 1.16A 6b4yA-3a68A:
0.0		 6b4yA-3a68A:
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.
3g06 SSPH2 (LEUCINE-RICH
REPEAT PROTEIN)

(Salmonella
enterica) 		PF14496
(NEL) 		5 ILE A 552
VAL A 584
PHE A 548
THR A 539
MET A 591
 None
 1.05A 6b4yA-3g06A:
undetectable		 6b4yA-3g06A:
17.68
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.
3mjd OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Francisella
tularensis) 		PF00156
(Pribosyltran) 		5 ILE A 142
LEU A  61
VAL A 146
MET A 122
THR A 163
 None
 1.26A 6b4yA-3mjdA:
undetectable		 6b4yA-3mjdA:
24.23
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 ILE A 234
LEU A 119
ASP A 236
THR A 115
THR A 243
 None
 1.42A 6b4yA-3sr3A:
0.1		 6b4yA-3sr3A:
22.19
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		5 ILE B  70
VAL B  37
PHE B 149
THR B 180
THR B 361
 None
 1.21A 6b4yA-3vysB:
0.0		 6b4yA-3vysB:
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		5 ILE A  66
LEU A  81
VAL A  95
THR A  80
MET A 145
 None
 1.38A 6b4yA-4mupA:
undetectable		 6b4yA-4mupA:
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Mus musculus) 		PF12940
(RAG1) 		5 MET B 578
ILE B 631
ASP B 585
LEU B 575
PHE B 591
 None
 1.50A 6b4yA-4wwxB:
undetectable		 6b4yA-4wwxB:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 10 MET A  38
ILE A  42
ASP A  91
LEU A  92
VAL A 128
ASP A 144
PHE A 153
THR A 157
MET A 233
THR A 237
 OAQ  A 302 (-4.3A)
None
OAQ  A 302 (-2.7A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-3.3A)
OAQ  A 302 ( 4.8A)
OAQ  A 302 (-2.6A)
None
OAQ  A 302 (-3.8A)
 0.33A 6b4yA-5bykA:
43.3		 6b4yA-5bykA:
99.61
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.
5gnc AVH146

(Phytophthora
sojae) 		no annotation 5 LEU A 477
VAL A 468
PHE A 460
MET A 515
THR A 511
 None
 1.49A 6b4yA-5gncA:
undetectable		 6b4yA-5gncA:
17.16
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.
5mm4 KINESIN-5

(Ustilago maydis) 		no annotation 5 ILE K 347
LEU K 365
VAL K 351
THR K 364
THR K 118
 None
 1.32A 6b4yA-5mm4K:
undetectable		 6b4yA-5mm4K:
undetectable
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.
5mm7 -

(-) 		no annotation 5 ILE K 419
LEU K 437
VAL K 423
THR K 436
THR K 190
 None
 1.18A 6b4yA-5mm7K:
undetectable		 6b4yA-5mm7K:
undetectable
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ASP A  96
LEU A  95
VAL A 313
ASP A 309
THR A 241
 None
None
None
EDO  A 406 (-3.6A)
EDO  A 406 (-3.7A)
 1.26A 6b4yA-5td3A:
undetectable		 6b4yA-5td3A:
20.73
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 MET A  99
ASP A  96
LEU A  95
ASP A 309
THR A 241
 None
None
None
EDO  A 406 (-3.6A)
EDO  A 406 (-3.7A)
 1.41A 6b4yA-5td3A:
undetectable		 6b4yA-5td3A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 9 MET A  53
ILE A  57
ASP A 100
LEU A 101
VAL A 137
ASP A 153
PHE A 162
MET A 242
THR A 246
 OAQ  A 302 (-4.5A)
OAQ  A 302 ( 4.9A)
OAQ  A 302 (-2.5A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-3.1A)
OAQ  A 302 (-4.6A)
OAQ  A 302 ( 4.0A)
OAQ  A 302 (-3.5A)
 0.46A 6b4yA-5tiwA:
39.5		 6b4yA-5tiwA:
75.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 7 MET A  38
ILE A  42
ASP A  87
LEU A  88
VAL A 124
PHE A 149
THR A 233
 None
 0.61A 6b4yA-5tizA:
35.2		 6b4yA-5tizA:
58.09
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.
5w76 ANCESTRAL ELOGATION
FACTOR N153

(synthetic
construct) 		no annotation 5 MET A 190
ILE A 189
ASP A 194
THR A  72
THR A  17
 PGE  A 403 (-3.8A)
None
None
None
None
 1.41A 6b4yA-5w76A:
2.3		 6b4yA-5w76A:
undetectable
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 ILE A 365
ASP A 402
LEU A 407
THR A 435
THR A 341
 None
 1.32A 6b4yA-5xwqA:
undetectable		 6b4yA-5xwqA:
undetectable