SIMILAR PATTERNS OF AMINO ACIDS FOR 4XRG_A_AG2A502

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.
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
 0.87A 4xrgA-1gwiA:
0.0		 4xrgA-1gwiA:
24.57
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 ASN A 397
VAL A 252
SER A 249
ASP A  20
LEU A  19
 None
 1.37A 4xrgA-1gwiA:
0.0		 4xrgA-1gwiA:
24.57
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		5 ASN A  78
PRO A  12
GLU A  52
GLU A 129
ASP A  54
 None
 1.48A 4xrgA-1qxoA:
0.0		 4xrgA-1qxoA:
22.04
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.
1vls ASPARTATE RECEPTOR

(Salmonella
enterica) 		PF02203
(TarH) 		5 PRO A 112
VAL A 123
SER A 120
TYR A 168
LEU A  46
 None
 1.23A 4xrgA-1vlsA:
undetectable		 4xrgA-1vlsA:
16.25
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.
2b2x ANTIBODY AQC2 FAB
INTEGRIN ALPHA-1

(Mus musculus;
Rattus
norvegicus) 		PF00092
(VWA)
PF07654
(C1-set)
PF07686
(V-set) 		5 ASN L  93
PRO L  94
GLU A 192
VAL H  50
TYR H  58
 None
 1.38A 4xrgA-2b2xL:
0.0		 4xrgA-2b2xL:
16.46
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.
2lig ASPARTATE RECEPTOR

(Salmonella
enterica) 		PF02203
(TarH) 		5 PRO A 112
VAL A 123
SER A 120
TYR A 168
LEU A  46
 None
 1.32A 4xrgA-2ligA:
undetectable		 4xrgA-2ligA:
16.85
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) 		10 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 (-4.5A)
NAD  A 501 (-3.8A)
None
None
None
None
None
None
None
None
 0.57A 4xrgA-2ph5A:
54.6		 4xrgA-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 ASN A  52
PRO A 186
VAL A  59
SER A  56
ASP A 190
 None
 1.31A 4xrgA-3akkA:
undetectable		 4xrgA-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.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 PRO A 622
GLU A   7
GLU A 741
VAL A 579
TYR A 580
 None
 1.42A 4xrgA-3eh2A:
1.3		 4xrgA-3eh2A:
19.92
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.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		5 GLU A  95
VAL A  93
SER A  48
TYR A  54
LEU A  78
 None
 1.47A 4xrgA-3hfqA:
0.0		 4xrgA-3hfqA:
22.06
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.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		5 GLU A  95
VAL A  93
TYR A  54
ASP A 118
LEU A  78
 None
 1.33A 4xrgA-3hfqA:
0.0		 4xrgA-3hfqA:
22.06
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.
3m4f ENDO-1,4-BETA-XYLANA
SE

(Acidomyces
acidophilus) 		PF00457
(Glyco_hydro_11) 		5 GLU A 192
VAL A 106
TYR A 104
TYR A  89
ASP A  60
 None
None
None
None
CXS  A 206 ( 4.4A)
 1.42A 4xrgA-3m4fA:
undetectable		 4xrgA-3m4fA:
19.26
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.
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 4xrgA-4aygA:
undetectable		 4xrgA-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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		5 PRO A1160
VAL A1180
SER A1048
ASP A1077
THR A1084
 None
None
ADP  A1301 ( 4.5A)
None
MG  A1302 (-4.0A)
 1.38A 4xrgA-4jlvA:
1.4		 4xrgA-4jlvA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xqe HOMOSPERMIDINE
SYNTHASE

(Blastochloris
viridis) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		12 ASN A 162
PRO A 163
GLU A 210
TRP A 229
GLU A 237
VAL A 294
SER A 296
TYR A 323
TYR A 325
ASP A 361
LEU A 363
THR A 396
 AG2  A 505 ( 2.5A)
NAD  A 501 (-2.9A)
AG2  A 505 (-2.8A)
AG2  A 505 ( 3.3A)
AG2  A 505 (-2.0A)
AG2  A 505 ( 4.6A)
AG2  A 505 (-2.7A)
AG2  A 505 (-4.3A)
AG2  A 505 ( 4.2A)
AG2  A 505 ( 3.8A)
AG2  A 505 ( 4.5A)
AG2  A 505 ( 3.9A)
 0.41A 4xrgA-4xqeA:
71.0		 4xrgA-4xqeA:
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.
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 4xrgA-5hssA:
undetectable		 4xrgA-5hssA:
22.36