SIMILAR PATTERNS OF AMINO ACIDS FOR 3RLB_A_VIBA191_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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 GLU A 142
GLU A 134
HIS A 132
GLY A 138
VAL A 181
 None
 0.98A 3rlbA-1pe9A:
undetectable		 3rlbA-1pe9A:
18.28
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 GLU A 381
TYR A 212
HIS A 336
GLY A 339
VAL A 377
 MN  A 519 ( 2.7A)
M44  A 518 (-3.6A)
MN  A 519 (-3.3A)
None
None
 1.30A 3rlbA-3l7gA:
0.0		 3rlbA-3l7gA:
14.62
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		5 GLU A 384
TYR A 212
HIS A 339
GLY A 342
VAL A 380
 MN  A 453 (-2.9A)
None
MN  A 453 (-3.4A)
None
None
 1.29A 3rlbA-3rvaA:
0.0		 3rlbA-3rvaA:
15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		9 GLU A  38
GLU A  84
TYR A  85
HIS A 125
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 26G  A 203 (-3.8A)
26G  A 203 (-2.9A)
26G  A 203 (-4.6A)
26G  A 203 (-3.4A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 0.16A 3rlbA-4mesA:
34.1		 3rlbA-4mesA:
94.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		6 TRP A  34
GLY A 129
TRP A 133
TYR A 146
VAL A 150
ASN A 151
 PG4  A 210 (-3.9A)
26G  A 203 (-3.3A)
26G  A 203 (-3.3A)
26G  A 203 (-4.2A)
26G  A 203 ( 4.5A)
26G  A 203 (-3.3A)
 1.01A 3rlbA-4mesA:
34.1		 3rlbA-4mesA:
94.79
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.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 GLU A 384
TYR A 214
HIS A 339
GLY A 342
VAL A 380
 MG  A 501 (-2.5A)
None
MG  A 501 (-3.5A)
None
None
 1.33A 3rlbA-4qr8A:
0.1		 3rlbA-4qr8A:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tkr THIAMINE TRANSPORTER
THIA

(Listeria
monocytogenes) 		PF09515
(Thia_YuaJ) 		6 GLU A  82
TYR A  83
HIS A 131
GLY A 135
TRP A 139
ASN A 157
 TPP  A 301 (-2.8A)
TPP  A 301 (-4.6A)
TPP  A 301 (-3.6A)
TPP  A 301 (-3.3A)
TPP  A 301 (-3.4A)
TPP  A 301 (-3.1A)
 0.19A 3rlbA-4tkrA:
27.0		 3rlbA-4tkrA:
37.79
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 569
HIS A 759
GLY A 724
TYR A 754
VAL A 761
 None
 1.42A 3rlbA-4wjlA:
0.0		 3rlbA-4wjlA:
14.89
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 GLU A 451
TYR A 300
HIS A 424
GLY A 427
VAL A 447
 MN  A 601 ( 2.5A)
01B  A 604 (-3.5A)
MN  A 601 ( 3.4A)
None
None
 1.28A 3rlbA-5x49A:
0.0		 3rlbA-5x49A:
17.80