SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYS_B_VIBB501_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.
1tzm 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pseudomonas sp.
ACP) 		PF00291
(PALP) 		5 TYR A 331
ASP A 291
TYR A 268
TYR A 294
LEU A 270
 None
PLP  A 401 ( 4.9A)
None
PLP  A 401 (-3.9A)
None
 1.21A 4kysB-1tzmA:
0.3		 4kysB-1tzmA:
19.91
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 TYR A 281
TYR A 408
ASP A 280
ILE A 375
LEU A 182
 None
 1.31A 4kysB-2gk9A:
0.0		 4kysB-2gk9A:
22.34
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.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans) 		no annotation 5 ASP A  16
TYR A 194
GLU A 200
ASP A 167
LEU A 170
 None
 1.44A 4kysB-2p11A:
0.0		 4kysB-2p11A:
18.03
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 TYR A 280
ILE A 226
SER A 205
THR A 247
LEU A 230
 None
 1.37A 4kysB-3ciaA:
0.0		 4kysB-3ciaA:
22.93
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.
3hs3 RIBOSE OPERON
REPRESSOR

(Lactobacillus
acidophilus) 		PF13377
(Peripla_BP_3) 		5 ASP A 263
ILE A 275
TYR A 262
ASP A 236
LEU A 259
 None
 1.26A 4kysB-3hs3A:
1.7		 4kysB-3hs3A:
22.94
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ILE A 150
THR A 182
TYR A 157
ASP A 194
LEU A 128
 None
None
CSO  A 191 ( 4.6A)
CSO  A 191 ( 4.8A)
None
 1.47A 4kysB-3iv0A:
0.0		 4kysB-3iv0A:
23.76
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.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 5 ILE B1330
SER B 703
THR B 523
TYR B 637
TYR B 706
 None
 1.20A 4kysB-3iz3B:
undetectable		 4kysB-3iz3B:
15.26
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 THR A 486
GLU A 493
TYR A 450
ASP A 476
LEU A 496
 None
 1.14A 4kysB-3n9vA:
undetectable		 4kysB-3n9vA:
20.19
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.
4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 154
ASP A 150
ILE A 238
TYR A 324
LEU A 329
 None
 1.43A 4kysB-4grvA:
undetectable		 4kysB-4grvA:
21.62
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 5 ASP A  68
TYR A 230
TYR A 260
ASP A 262
LEU A  16
 0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
None
 1.33A 4kysB-4hcyA:
32.7		 4kysB-4hcyA:
23.57
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 6 TYR A  53
ASP A  68
TYR A 230
GLU A 232
TYR A 260
ASP A 262
 0YN  A 401 (-3.8A)
0YN  A 401 (-3.5A)
0YN  A 401 (-3.9A)
0YN  A 401 (-3.1A)
0YN  A 401 ( 4.1A)
0YN  A 401 (-2.9A)
 0.60A 4kysB-4hcyA:
32.7		 4kysB-4hcyA:
23.57
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.
4m0m PUTATIVE
UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 TYR A 332
ASP A 331
ILE A 325
SER A 324
THR A 439
 None
None
None
PO4  A 804 (-2.9A)
None
 1.44A 4kysB-4m0mA:
undetectable		 4kysB-4m0mA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		10 TYR A  16
TYR A  50
ASP A  64
ILE A 111
THR A 163
TYR A 239
GLU A 241
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
None
PYD  A 371 (-4.2A)
PYD  A 371 ( 4.3A)
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 0.70A 4kysB-4thiA:
55.2		 4kysB-4thiA:
48.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4thi PROTEIN (THIAMINASE
I)

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		8 TYR A  16
TYR A  50
ASP A  64
ILE A 111
THR A 164
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
None
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 1.41A 4kysB-4thiA:
55.2		 4kysB-4thiA:
48.19
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A 318
ILE A 211
THR A  50
ASP A  13
LEU A 136
 None
 1.29A 4kysB-4upkA:
undetectable		 4kysB-4upkA:
19.66
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.
4xee NEUROTENSIN RECEPTOR
TYPE 1, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 TYR A 154
ASP A 150
ILE A 238
TYR A 324
LEU A 329
 None
 1.39A 4kysB-4xeeA:
undetectable		 4kysB-4xeeA:
22.05
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.
5d6h CSUA/B
CSUC

(Acinetobacter
baumannii) 		PF00345
(PapD_N)
PF05229
(SCPU) 		5 ASP B  64
ILE A 229
THR B 115
TYR A   9
LEU A 131
 None
 1.43A 4kysB-5d6hB:
undetectable		 4kysB-5d6hB:
16.58
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 154
ASP A 185
ILE A 189
SER A 190
LEU A 197
 None
 1.34A 4kysB-5k6oA:
undetectable		 4kysB-5k6oA:
18.72
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.
5yax SCFV1 ANTIBODY

(Homo sapiens) 		no annotation 5 ILE A1117
SER A1106
TYR A1037
ASP A1108
LEU A1004
 None
 1.46A 4kysB-5yaxA:
undetectable		 4kysB-5yaxA:
19.37