SIMILAR PATTERNS OF AMINO ACIDS FOR 4UAC_A_ACRA501_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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 ALA A  66
ASP A  68
ASN A 159
TRP A 230
LYS A 266
 GLC  A1002 (-3.2A)
GLC  A1003 (-2.8A)
GLC  A1002 ( 3.3A)
GLC  A1001 ( 3.8A)
GLC  A1001 ( 2.6A)
 0.87A 4uacA-1eljA:
33.9		 4uacA-1eljA:
27.61
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLU A 451
ALA A 447
ASP A 547
ASN A 445
LYS A 448
 None
 1.36A 4uacA-2f3oA:
0.0		 4uacA-2f3oA:
20.43
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.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 LYS A  45
ALA A  64
ASP A  66
ASN A 156
TRP A 233
 None
MLR  A2913 (-3.1A)
MLR  A2913 (-2.8A)
MLR  A2913 (-2.7A)
MLR  A2913 (-4.0A)
 0.83A 4uacA-2fncA:
37.3		 4uacA-2fncA:
24.83
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 ASP A  82
ASP A 102
ASN A 195
TRP A 273
LYS A 306
 GLC  A1421 (-2.8A)
GLC  A1419 (-2.8A)
GLC  A1419 (-2.9A)
GLC  A1418 (-3.7A)
GLC  A1417 (-2.6A)
 0.68A 4uacA-2xd3A:
36.6		 4uacA-2xd3A:
27.03
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 SER A 433
GLU A 434
LYS A 479
ASP A 475
ALA A 494
 None
 1.40A 4uacA-3v9fA:
0.0		 4uacA-3v9fA:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		5 ALA A  78
ASP A  80
GLN A  81
ASN A 162
TRP A 234
 MLR  A 401 (-3.0A)
MLR  A 401 (-2.1A)
MLR  A 401 (-3.9A)
MLR  A 401 (-3.3A)
MLR  A 401 (-2.8A)
 0.55A 4uacA-5m28A:
46.2		 4uacA-5m28A:
33.08