SIMILAR PATTERNS OF AMINO ACIDS FOR 2WSC_A_PQNA1802

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 PHE A 387
ARG A 410
ALA A 406
LEU A 409
GLY A 414
 None
 1.44A 2wscA-1b0kA:
0.0		 2wscA-1b0kA:
22.33
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 0.92A 2wscA-1ogyA:
0.0		 2wscA-1ogyA:
22.65
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.
2qdd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A 110
SER A 347
TRP A 122
LEU A 121
GLY A 350
 None
 1.48A 2wscA-2qddA:
undetectable		 2wscA-2qddA:
20.03
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.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 MET A  53
PHE A  77
SER A  46
ALA A  43
GLY A  75
 None
None
CL  A1177 (-4.3A)
OLA  A1179 ( 4.0A)
OLA  A1179 (-3.8A)
 1.40A 2wscA-2wq9A:
undetectable		 2wscA-2wq9A:
13.89
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
 None
 1.36A 2wscA-2ykyA:
undetectable		 2wscA-2ykyA:
21.78
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 PHE A 211
SER A 209
ALA A 270
LEU A 274
GLY A 275
 None
 1.33A 2wscA-3eqaA:
0.0		 2wscA-3eqaA:
21.55
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 MET A  36
PHE A  11
ALA A  61
LEU A  90
GLY A  57
 None
 1.25A 2wscA-3m3pA:
undetectable		 2wscA-3m3pA:
15.55
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 TRP A 216
SER A  78
ALA A 169
LEU A 160
GLY A 156
 None
 1.49A 2wscA-3wbnA:
2.3		 2wscA-3wbnA:
22.06
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) 		8 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 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)
PQN  A5001 ( 4.0A)
 0.69A 2wscA-4rkuA:
20.1		 2wscA-4rkuA:
99.58
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) 		5 MET B 662
PHE B 663
SER B 666
TRP B 671
ALA B 699
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
 0.95A 2wscA-4rkuB:
32.3		 2wscA-4rkuB:
43.70
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) 		6 MET B 662
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.78A 2wscA-4rkuB:
32.3		 2wscA-4rkuB:
43.70
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		5 PHE A 213
SER A 261
ALA A 210
LEU A 211
GLY A 155
 None
 1.21A 2wscA-4zaaA:
undetectable		 2wscA-4zaaA:
20.08
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 PHE A 747
ARG A1053
ALA A1081
LEU A1082
GLY A1086
 None
 1.44A 2wscA-5cjuA:
3.1		 2wscA-5cjuA:
20.70
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 TRP C 340
PHE C 132
SER C  83
ALA C 139
LEU C 136
 None
 1.30A 2wscA-5dwzC:
undetectable		 2wscA-5dwzC:
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 SER A 165
ARG A 188
ALA A 172
LEU A 187
GLY A 191
 None
 1.38A 2wscA-5ebbA:
undetectable		 2wscA-5ebbA:
19.71
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 8 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 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)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.71A 2wscA-5oy01:
14.7		 2wscA-5oy01:
9.02
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 6 TRP 1  49
MET 1 684
PHE 1 685
SER 1 688
LEU 1 718
GLY 1 723
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 1.46A 2wscA-5oy01:
14.7		 2wscA-5oy01:
9.02
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.80A 2wscA-5oy0b:
28.8		 2wscA-5oy0b:
8.28
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 1.18A 2wscA-5v8kA:
6.6		 2wscA-5v8kA:
24.07
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.
5y1z DREBRIN

(Homo sapiens) 		no annotation 5 TRP A  29
PHE A  58
ALA A  44
LEU A  31
GLY A  66
 None
 1.33A 2wscA-5y1zA:
undetectable		 2wscA-5y1zA:
10.87
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.
5zov -

(-) 		no annotation 5 PHE A 347
SER A 349
ALA A 340
LEU A 343
GLY A 346
 None
 1.07A 2wscA-5zovA:
3.6		 2wscA-5zovA:
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.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 5 TRP A  94
PHE A 124
ARG A 117
LEU A 120
GLY A 121
 None
None
EDO  A 306 (-4.0A)
None
None
 1.16A 2wscA-6emgA:
undetectable		 2wscA-6emgA:
8.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
GLY A 720
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
None
 0.85A 2wscA-6fosA:
13.9		 2wscA-6fosA:
82.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 MET A 681
SER A 685
TRP A 690
ALA A 714
LEU A 715
GLY A 720
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
 0.68A 2wscA-6fosA:
13.9		 2wscA-6fosA:
82.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 PHE A 682
SER A 685
TRP A 690
ALA A 714
LEU A 715
GLY A 720
 PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
 0.64A 2wscA-6fosA:
13.9		 2wscA-6fosA:
82.50
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 5 MET B 660
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.83A 2wscA-6fosB:
13.7		 2wscA-6fosB:
7.16
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 5 MET B 660
SER B 664
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.73A 2wscA-6fosB:
13.7		 2wscA-6fosB:
7.16
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 5 PHE B 661
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 4.3A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.86A 2wscA-6fosB:
13.7		 2wscA-6fosB:
7.16
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 5 PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.77A 2wscA-6fosB:
13.7		 2wscA-6fosB:
7.16