SIMILAR PATTERNS OF AMINO ACIDS FOR 2O01_B_PQNB5002_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.
1okc ADP, ATP CARRIER
PROTEIN HEART
ISOFORM T1

(Bos taurus) 		PF00153
(Mito_carr) 		5 PHE A 153
ARG A 137
ALA A 141
LEU A 140
ALA A 136
 None
None
None
CDL  A 800 (-3.8A)
None
 1.48A 2o01B-1okcA:
undetectable		 2o01B-1okcA:
18.47
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.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		5 MET A 165
SER A 187
TRP A 211
ALA A 210
LEU A 191
 None
 1.46A 2o01B-2ichA:
undetectable		 2o01B-2ichA:
19.62
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.
2jg2 SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
paucimobilis) 		PF00155
(Aminotran_1_2) 		5 PHE A 122
ARG A 120
ALA A 128
LEU A 119
ALA A 118
 None
 1.50A 2o01B-2jg2A:
undetectable		 2o01B-2jg2A:
21.15
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 MET A  79
SER A  76
TRP A  18
ALA A  12
LEU A  11
 None
None
None
FAD  A 444 (-3.4A)
FAD  A 444 (-4.2A)
 1.38A 2o01B-3g5sA:
undetectable		 2o01B-3g5sA:
21.05
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.
3tad LIPRIN-BETA-1

(Mus musculus) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		5 PHE C 829
ARG C 822
ALA C 809
LEU C 825
ALA C 826
 None
 1.42A 2o01B-3tadC:
undetectable		 2o01B-3tadC:
17.08
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.
4jmo CYTOHESIN-2

(Homo sapiens) 		PF01369
(Sec7) 		5 PHE A 147
SER A 150
TRP A 149
ARG A 152
LEU A 153
 None
None
None
JAF  A 301 (-3.6A)
JAF  A 301 (-4.1A)
 1.25A 2o01B-4jmoA:
undetectable		 2o01B-4jmoA:
13.91
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 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.86A 2o01B-4rkuA:
26.4		 2o01B-4rkuA:
45.29
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 MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.82A 2o01B-4rkuB:
28.9		 2o01B-4rkuB:
98.63
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.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 5 MET A 170
PHE A 142
ALA A  86
LEU A  89
ALA A  95
 None
 1.28A 2o01B-5h4vA:
undetectable		 2o01B-5h4vA:
21.38
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 6 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
 0.77A 2o01B-5oy01:
23.4		 2o01B-5oy01:
7.46
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 6 MET 1 684
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
 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)
 0.83A 2o01B-5oy01:
23.4		 2o01B-5oy01:
7.46
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 8 MET b 659
PHE b 660
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
ALA b 702
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 (-3.1A)
 0.80A 2o01B-5oy0b:
29.9		 2o01B-5oy0b:
10.05
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 A2

(Synechocystis
sp. PCC 6803) 		no annotation 8 PHE b 660
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 0.74A 2o01B-5oy0b:
29.9		 2o01B-5oy0b:
10.05
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 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
ALA B 703
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.4A)
 1.01A 2o01B-6fosB:
23.4		 2o01B-6fosB:
11.09
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 PHE B 661
SER B 664
TRP B 665
ARG B 666
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.32A 2o01B-6fosB:
23.4		 2o01B-6fosB:
11.09