SIMILAR PATTERNS OF AMINO ACIDS FOR 1RKW_A_PNTA225_0

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.
1rpw TRANSCRIPTIONAL
REGULATOR QACR

(Staphylococcus
aureus) 		PF00440
(TetR_N)
PF08360
(TetR_C_5) 		8 GLU A  57
LYS A  60
TRP A  61
GLN A  64
TYR A  82
SER A  86
TYR A 127
VAL A 156
 None
None
None
SO4  A 189 (-3.6A)
None
None
None
None
 0.74A 1rkwA-1rpwA:
24.2		 1rkwA-1rpwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rpw TRANSCRIPTIONAL
REGULATOR QACR

(Staphylococcus
aureus) 		PF00440
(TetR_N)
PF08360
(TetR_C_5) 		8 GLU A  57
TRP A  61
GLN A  64
TYR A  82
SER A  86
THR A  89
TYR A 127
VAL A 156
 None
None
SO4  A 189 (-3.6A)
None
None
None
None
None
 0.87A 1rkwA-1rpwA:
24.2		 1rkwA-1rpwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rpw TRANSCRIPTIONAL
REGULATOR QACR

(Staphylococcus
aureus) 		PF00440
(TetR_N)
PF08360
(TetR_C_5) 		8 TRP A  61
GLN A  64
TYR A  82
SER A  86
THR A  89
TYR A 127
VAL A 156
ASN A 157
 None
SO4  A 189 (-3.6A)
None
None
None
None
None
None
 0.79A 1rkwA-1rpwA:
24.2		 1rkwA-1rpwA:
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 GLU A 172
TYR A 254
SER A 228
THR A 200
TYR A 250
 None
 1.43A 1rkwA-2i9uA:
0.0		 1rkwA-2i9uA:
20.63
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 GLN A  92
TYR A  96
SER A  44
TYR A  51
ASN A 300
 None
SO4  A 705 (-3.4A)
SO4  A 705 (-2.6A)
None
None
 1.43A 1rkwA-2o8rA:
0.3		 1rkwA-2o8rA:
13.38
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		5 GLU A 156
TYR A 176
SER A 128
TYR A 130
ASN A 194
 None
 1.40A 1rkwA-3htzA:
1.5		 1rkwA-3htzA:
16.88
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2

(Caenorhabditis
elegans) 		PF03828
(PAP_assoc) 		5 GLU A 875
GLN A 867
TYR A 792
TYR A 720
TYR A 791
 None
 1.50A 1rkwA-5jnbA:
0.5		 1rkwA-5jnbA:
20.62
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		5 GLN A 157
TYR A 153
THR A 133
GLU A 132
TYR A  89
 PGE  A 404 (-2.9A)
None
PGE  A 404 ( 4.0A)
None
None
 1.39A 1rkwA-5m8bA:
undetectable		 1rkwA-5m8bA:
19.34
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.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 TYR A  11
GLU A 196
TYR A 145
VAL A 188
ASN A 189
 None
 1.45A 1rkwA-5malA:
0.4		 1rkwA-5malA:
20.26
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.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculosis) 		no annotation 5 GLU A  24
LYS A  28
TYR A  17
GLU A  22
ASN A  67
 GLU  A  24 ( 0.6A)
LYS  A  28 ( 0.0A)
TYR  A  17 ( 1.3A)
GLU  A  22 ( 0.5A)
ASN  A  67 ( 0.6A)
 1.31A 1rkwA-6gefA:
0.0		 1rkwA-6gefA:
undetectable