SIMILAR PATTERNS OF AMINO ACIDS FOR 4KT0_B_PQNB2002

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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 TRP A   6
SER A 109
TRP A  96
ALA A  80
LEU A  83
 None
 1.35A 4kt0B-1u0kA:
0.0		 4kt0B-1u0kA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.50A 4kt0B-4rkuA:
37.8		 4kt0B-4rkuA:
46.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.29A 4kt0B-4rkuB:
48.5		 4kt0B-4rkuB:
78.17
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 TRP A1598
SER A1095
ARG A1301
ALA A1583
LEU A1584
 None
 1.47A 4kt0B-5lkiA:
0.0		 4kt0B-5lkiA:
14.33
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 7 TRP 1  49
MET 1 684
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.50A 4kt0B-5oy01:
35.6		 4kt0B-5oy01:
7.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 9 TRP b  22
MET b 659
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 0.34A 4kt0B-5oy0b:
44.9		 4kt0B-5oy0b:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 MET A 681
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.91A 4kt0B-6fosA:
35.2		 4kt0B-6fosA:
8.87
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 TRP A  46
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.81A 4kt0B-6fosA:
35.2		 4kt0B-6fosA:
8.87
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
MET B 660
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 None
PQN  B2002 ( 3.2A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.82A 4kt0B-6fosB:
32.8		 4kt0B-6fosB:
10.72
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
SER B 664
TRP B 665
ARG B 666
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 None
CLA  B1023 (-4.5A)
None
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.05A 4kt0B-6fosB:
32.8		 4kt0B-6fosB:
10.72