SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pqf'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 7 HIS A 564
GLY A 565
TYR A 596
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
 0.24A 1dmaA-2pqfA:
5.3		 1dmaA-2pqfA:
22.12
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 6 HIS A 564
GLY A 565
TYR A 596
ALA A 598
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-3.3A)
 0.34A 1dmaB-2pqfA:
5.0		 1dmaB-2pqfA:
22.12
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 7 HIS A 605
THR A 679
TYR A 677
GLN A 527
 None
 1.07A 1qzrA-2pqfA:
undetectable		 1qzrA-2pqfA:
18.49
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 7 HIS A 605
THR A 679
TYR A 677
GLN A 527
 None
 1.06A 1qzrB-2pqfA:
undetectable		 1qzrB-2pqfA:
18.49
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.
2G70_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.09A 2g70A-2pqfA:
undetectable		 2g70A-2pqfA:
21.02
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.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.17A 2g70B-2pqfA:
undetectable		 2g70B-2pqfA:
21.02
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.17A 2g72A-2pqfA:
undetectable		 2g72A-2pqfA:
21.02
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 12 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.20A 2g72B-2pqfA:
undetectable		 2g72B-2pqfA:
21.02
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.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.85A 3bwmA-2pqfA:
undetectable		 3bwmA-2pqfA:
21.83
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.86A 3bwyA-2pqfA:
undetectable		 3bwyA-2pqfA:
21.83
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 4 PHE A 664
TYR A 591
VAL A 557
LEU A 623
 None
 1.44A 3keeD-2pqfA:
0.0		 3keeD-2pqfA:
21.33
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 8 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.31A 3u9hA-2pqfA:
20.2		 3u9hA-2pqfA:
28.46
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.
3U9H_B_NCAB1164_0
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 8 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.34A 3u9hB-2pqfA:
20.0		 3u9hB-2pqfA:
28.46
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.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 6 HIS A 564
GLY A 565
TYR A 596
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
 0.39A 4ae1A-2pqfA:
6.3		 4ae1A-2pqfA:
undetectable
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.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		4 / 5 HIS A 564
GLY A 565
TYR A 596
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
 0.35A 4ae1B-2pqfA:
5.9		 4ae1B-2pqfA:
16.86
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 8 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.29A 4bjcA-2pqfA:
19.9		 4bjcA-2pqfA:
28.46
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.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 7 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.53A 4hyfA-2pqfA:
20.2		 4hyfA-2pqfA:
28.46
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 8 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.53A 4hyfB-2pqfA:
20.3		 4hyfB-2pqfA:
28.46
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.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 8 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.52A 4hyfC-2pqfA:
20.2		 4hyfC-2pqfA:
28.46
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 11 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.38A 4rv6A-2pqfA:
18.6		 4rv6A-2pqfA:
23.12
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		6 / 11 HIS A 564
GLY A 565
TYR A 596
ALA A 598
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.37A 4rv6B-2pqfA:
18.9		 4rv6B-2pqfA:
23.12
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		3 / 3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.83A 4xudA-2pqfA:
undetectable		 4xudA-2pqfA:
22.88
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.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 2pqf POLY [ADP-RIBOSE]
POLYMERASE 12
(Homo
sapiens) 		5 / 9 HIS A 564
ILE A 574
TYR A 596
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
CIT  A 801 (-4.8A)
GAB  A 701 (-4.5A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.76A 5ha9B-2pqfA:
16.8		 5ha9B-2pqfA:
22.91