SIMILAR PATTERNS OF AMINO ACIDS FOR 4GCP_B_AICB401_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gfn MATRIX PORIN OUTER
MEMBRANE PROTEIN F

(Escherichia
coli) 		PF00267
(Porin_1) 		5 TYR A  22
GLY A  34
SER A 125
ARG A 167
ARG A 168
 None
 1.17A 4gcpB-1gfnA:
45.0		 4gcpB-1gfnA:
98.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gfn MATRIX PORIN OUTER
MEMBRANE PROTEIN F

(Escherichia
coli) 		PF00267
(Porin_1) 		7 TYR A  22
TYR A  32
GLY A  33
TYR A 124
SER A 125
ARG A 167
ARG A 168
 None
 0.35A 4gcpB-1gfnA:
45.0		 4gcpB-1gfnA:
98.24
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 TYR A 498
TYR A 138
GLY A  88
ASP A 201
ARG A  92
 None
 1.48A 4gcpB-1gjuA:
0.0		 4gcpB-1gjuA:
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.
1sef CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF05899
(Cupin_3)
PF07883
(Cupin_2) 		5 GLY A  59
PHE A 232
ASP A  64
TYR A  65
SER A  51
 None
 1.50A 4gcpB-1sefA:
0.0		 4gcpB-1sefA:
23.98
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		5 TYR A  65
GLY A  64
PHE A 300
ASP A 302
SER A  84
 None
 1.19A 4gcpB-2p76A:
0.0		 4gcpB-2p76A:
21.21
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 TYR A 254
GLY A 272
TYR A 281
SER A 282
ARG A 285
 None
None
None
None
SO4  A 506 (-2.9A)
 1.47A 4gcpB-3nztA:
0.0		 4gcpB-3nztA:
20.39
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 TYR A 235
GLY A 236
PHE A 333
ASP A 311
ARG A 483
 None
SPV  A 704 ( 3.8A)
SPV  A 704 (-4.9A)
MN  A 701 (-2.5A)
None
 1.36A 4gcpB-4ox2A:
0.0		 4gcpB-4ox2A:
19.39
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		5 TYR A 267
GLY A 124
ASP A 149
SER A 155
ARG A 162
 None
None
MN  A 402 (-2.5A)
None
None
 1.45A 4gcpB-4rhmA:
0.0		 4gcpB-4rhmA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 0.88A 4gcpB-5fvnA:
43.6		 4gcpB-5fvnA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 TYR A  22
PHE A 110
ASP A 113
SER A 117
ARG A 170
 None
C8E  A 407 (-4.6A)
C8E  A 407 (-3.3A)
PO4  A 411 (-2.6A)
PO4  A 411 (-3.1A)
 1.42A 4gcpB-5fvnA:
43.6		 4gcpB-5fvnA:
61.41
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.
5vk2 FAB 37.7H HEAVY
CHAIN
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Homo sapiens;
Lassa
mammarenavirus) 		PF00798
(Arena_glycoprot)
PF07654
(C1-set)
PF07686
(V-set) 		5 GLY a 294
ASP a 273
TYR D  33
SER D  31
ARG D  55
 None
 1.07A 4gcpB-5vk2a:
undetectable		 4gcpB-5vk2a:
17.97