SIMILAR PATTERNS OF AMINO ACIDS FOR 3HGX_B_SALB104_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.
1ry4 CG5884-PA

(Drosophila
melanogaster) 		PF00595
(PDZ) 		5 VAL A 249
VAL A 234
MET A 238
ILE A 176
ILE A 195
 None
 1.46A 3hgxB-1ry4A:
undetectable		 3hgxB-1ry4A:
23.70
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.
1tdt TETRAHYDRODIPICOLINA
TE-N-SUCCINYLTRANSFE
RASE

(Mycobacterium
bovis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ARG A 226
VAL A 227
ILE A 214
TYR A 224
GLN A 210
 None
 1.09A 3hgxB-1tdtA:
undetectable		 3hgxB-1tdtA:
18.15
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.
1yli PUTATIVE ACYL-COA
THIOESTER HYDROLASE
HI0827

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 ARG A 132
VAL A  59
VAL A  88
ILE A 134
ILE A  54
 None
 1.49A 3hgxB-1yliA:
undetectable		 3hgxB-1yliA:
18.24
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.
2f67 NUCLEOSIDE
2-DEOXYRIBOSYLTRANSF
ERASE

(Trypanosoma
brucei) 		PF05014
(Nuc_deoxyrib_tr) 		5 ARG A  33
VAL A  32
ILE A  14
TYR A  13
ILE A  12
 None
 1.11A 3hgxB-2f67A:
undetectable		 3hgxB-2f67A:
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 VAL A 189
VAL A 185
TYR A 234
ILE A 315
GLN A 195
 None
 1.37A 3hgxB-2fe8A:
undetectable		 3hgxB-2fe8A:
16.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB

(Pseudomonas
aeruginosa) 		PF01817
(CM_2) 		6 ARG A  31
VAL A  54
MET A  57
ILE A  83
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
NO3  A 100 (-3.7A)
None
None
 0.54A 3hgxB-2h9cA:
12.6		 3hgxB-2h9cA:
98.99
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.
2r0q PUTATIVE TRANSPOSON
TN552 DNA-INVERTASE
BIN3

(Staphylococcus
aureus) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		5 ARG C 167
VAL C 168
MET C 171
ILE C 181
ILE C 187
 None
 0.80A 3hgxB-2r0qC:
undetectable		 3hgxB-2r0qC:
18.32
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ARG X 368
VAL X 367
ILE X 348
ILE X 351
GLN X 337
 None
 1.50A 3hgxB-3h1vX:
0.9		 3hgxB-3h1vX:
12.59
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 VAL A 390
VAL A   4
ILE A 374
TYR A 377
ILE A 378
 None
 1.38A 3hgxB-3ip1A:
undetectable		 3hgxB-3ip1A:
15.92
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.
3lml LIN1278 PROTEIN

(Listeria
innocua) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ARG A  29
MET A 285
ILE A 357
ILE A 436
GLN A 434
 None
 1.39A 3hgxB-3lmlA:
1.0		 3hgxB-3lmlA:
12.71
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.
3trd ALPHA/BETA HYDROLASE

(Coxiella
burnetii) 		PF00561
(Abhydrolase_1) 		5 VAL A 119
VAL A  95
ILE A  32
ILE A 104
GLN A 123
 None
 1.27A 3hgxB-3trdA:
undetectable		 3hgxB-3trdA:
18.48
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 VAL A 248
MET A 247
ILE A  55
TYR A  54
ILE A 277
 None
 1.45A 3hgxB-4l22A:
0.8		 3hgxB-4l22A:
10.38
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.
5f5r HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL

(Homo sapiens) 		PF13589
(HATPase_c_3) 		5 VAL A 211
ARG A 269
VAL A 270
ILE A 113
ILE A 154
 None
 0.85A 3hgxB-5f5rA:
undetectable		 3hgxB-5f5rA:
18.49
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.
5go2 PROTEIN AROA(G)

(Bacillus
subtilis) 		PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 None
 0.95A 3hgxB-5go2A:
9.4		 3hgxB-5go2A:
26.21
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.
5h67 SEGREGATION AND
CONDENSATION PROTEIN
A

(Bacillus
subtilis) 		PF02616
(SMC_ScpA) 		5 VAL C 220
ILE C 242
TYR C 241
ILE C 231
GLN C 233
 None
 1.24A 3hgxB-5h67C:
undetectable		 3hgxB-5h67C:
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.
5hph HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL

(Homo sapiens) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 VAL A 211
ARG A 269
VAL A 270
ILE A 113
ILE A 154
 None
 0.90A 3hgxB-5hphA:
0.9		 3hgxB-5hphA:
13.50
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 PRE  A 404 (-3.4A)
PRE  A 404 ( 4.9A)
PRE  A 404 (-4.6A)
PRE  A 404 (-3.6A)
PRE  A 404 (-3.3A)
 0.75A 3hgxB-5j6fA:
10.5		 3hgxB-5j6fA:
17.46
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.
5nbr DEOXYRIBOSYLTRANSFER
ASE

(Leishmania
mexicana) 		PF05014
(Nuc_deoxyrib_tr) 		5 ARG A  28
VAL A  27
ILE A   9
TYR A   8
ILE A   7
 None
 1.25A 3hgxB-5nbrA:
undetectable		 3hgxB-5nbrA:
20.75
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7) 		5 VAL F  53
VAL F 105
ILE F 136
TYR F  27
ILE F  28
 None
 1.38A 3hgxB-5xyiF:
undetectable		 3hgxB-5xyiF:
18.95