SIMILAR PATTERNS OF AMINO ACIDS FOR 4Y9T_A_PA1A401_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.
2h0a TRANSCRIPTIONAL
REGULATOR

(Thermus
thermophilus) 		PF13377
(Peripla_BP_3) 		5 ASP A 280
GLN A 295
ASP A 149
TYR A  78
HIS A 282
 None
 1.40A 4y9tA-2h0aA:
22.1		 4y9tA-2h0aA:
24.93
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		5 ASP A 180
ASP A 113
ASP A 292
HIS A 181
ASN A 265
 None
 1.28A 4y9tA-2hvqA:
0.0		 4y9tA-2hvqA:
23.84
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 GLN A 353
ASP A1074
ALA A 381
HIS A 380
GLN A 384
 None
 1.01A 4y9tA-3f2bA:
0.0		 4y9tA-3f2bA:
16.08
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 ASP A 291
PHE A 289
ASP A  43
ALA A 235
GLN A 273
 B3P  A1560 (-2.7A)
None
B3P  A1560 (-2.7A)
B3P  A1560 (-2.2A)
B3P  A1560 ( 4.1A)
 1.11A 4y9tA-3zxlA:
undetectable		 4y9tA-3zxlA:
21.14
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.
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides) 		PF13407
(Peripla_BP_4) 		5 PHE A  52
GLN A  49
ASP A 125
ASP A 258
ALA A  54
 None
INS  A 401 (-3.0A)
INS  A 401 (-2.8A)
INS  A 401 (-2.7A)
None
 1.36A 4y9tA-4irxA:
35.3		 4y9tA-4irxA:
25.14
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 PHE A  38
ASP A 112
ARG A 113
TRP A 189
GLN A 263
 INS  A 401 (-4.5A)
INS  A 401 (-2.6A)
INS  A 401 (-3.8A)
INS  A 401 (-3.6A)
INS  A 401 (-3.3A)
 0.80A 4y9tA-4rxmA:
35.5		 4y9tA-4rxmA:
24.93
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		6 PHE A  41
ASP A 115
ARG A 116
ASP A 162
TRP A 192
GLN A 263
 RIP  A 401 ( 4.0A)
RIP  A 401 (-2.8A)
RIP  A 401 (-3.9A)
RIP  A 401 (-3.0A)
RIP  A 401 (-3.5A)
RIP  A 401 (-3.2A)
 0.64A 4y9tA-4ry0A:
35.4		 4y9tA-4ry0A:
28.37
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ASP A 277
ASP A 126
ARG A 127
ASP A 178
TRP A 218
 GAL  A 401 (-2.8A)
GAL  A 401 (-3.0A)
GAL  A 401 (-4.0A)
GAL  A 401 (-2.8A)
GAL  A 401 (-3.6A)
 1.08A 4y9tA-4wwhA:
34.0		 4y9tA-4wwhA:
27.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ASP A 245
ASP A 113
ARG A 114
ASP A 158
TRP A 192
 XYP  A 401 (-2.4A)
XYP  A 401 (-3.3A)
XYP  A 401 (-3.9A)
XYP  A 401 (-2.8A)
XYP  A 401 (-3.2A)
 1.17A 4y9tA-4ywhA:
35.8		 4y9tA-4ywhA:
31.37