SIMILAR PATTERNS OF AMINO ACIDS FOR 2WSF_B_PQNB1773

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.
1exc PROTEIN MAF

(Bacillus
subtilis) 		PF02545
(Maf) 		5 PHE A 159
SER A 130
ARG A  94
ALA A  90
LEU A  93
 None
 1.21A 2wsfB-1excA:
undetectable		 2wsfB-1excA:
13.02
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 PHE A  84
ARG A  29
ALA A 109
LEU A  28
ALA A  31
 None
 1.14A 2wsfB-1g6oA:
0.0		 2wsfB-1g6oA:
19.05
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 MET A 468
ARG A 460
TRP A 464
ALA A 457
ALA A 462
 None
 1.23A 2wsfB-1iq7A:
undetectable		 2wsfB-1iq7A:
18.89
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
 None
 1.41A 2wsfB-2gaiA:
0.0		 2wsfB-2gaiA:
21.27
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.
2x8a NUCLEAR
VALOSIN-CONTAINING
PROTEIN-LIKE

(Homo sapiens) 		PF00004
(AAA) 		5 PHE A 828
SER A 801
ALA A 795
LEU A 796
ALA A 831
 None
 1.44A 2wsfB-2x8aA:
undetectable		 2wsfB-2x8aA:
17.33
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.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		5 MET A 198
ARG A 228
ALA A 226
LEU A 223
ALA A 232
 None
 1.34A 2wsfB-3eb2A:
undetectable		 2wsfB-3eb2A:
17.19
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		5 PHE A 274
SER A 267
TRP A 281
ALA A 311
ALA A 319
 None
PLP  A 433 (-2.5A)
None
None
None
 1.31A 2wsfB-3ei8A:
0.0		 2wsfB-3ei8A:
20.13
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.
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
 DGL  A 385 ( 3.6A)
None
None
None
None
 1.29A 2wsfB-3ijlA:
undetectable		 2wsfB-3ijlA:
19.64
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 SER A 308
ARG A 292
ALA A 315
LEU A 291
ALA A 294
 None
 1.43A 2wsfB-3p2cA:
0.3		 2wsfB-3p2cA:
19.12
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 PHE A 113
SER A 114
ALA A  65
LEU A  70
ALA A  71
 None
 1.43A 2wsfB-3wfpA:
undetectable		 2wsfB-3wfpA:
17.64
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)
 0.79A 2wsfB-4rkuA:
18.0		 2wsfB-4rkuA:
45.30
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) 		8 MET B 662
PHE B 663
SER B 666
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
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.61A 2wsfB-4rkuB:
36.2		 2wsfB-4rkuB:
98.77
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 TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.36A 2wsfB-4rkuB:
36.2		 2wsfB-4rkuB:
98.77
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.
4rpc PUTATIVE ALPHA/BETA
HYDROLASE

(Desulfitobacterium
hafniense) 		PF12697
(Abhydrolase_6) 		5 MET A  64
ARG A 176
ALA A 135
LEU A 179
ALA A 178
 None
 1.50A 2wsfB-4rpcA:
undetectable		 2wsfB-4rpcA:
16.46
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.
5e44 FNR REGULATOR

(Aliivibrio
fischeri) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 PHE A 218
ARG A 169
ALA A 166
LEU A 170
ALA A 171
 None
 1.49A 2wsfB-5e44A:
undetectable		 2wsfB-5e44A:
15.85
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.
5ed7 TEGUMENT PROTEIN
UL21

(Human
alphaherpesvirus
1) 		PF03252
(Herpes_UL21) 		5 PHE A 326
SER A 343
ALA A 349
LEU A 348
ALA A 322
 None
 1.48A 2wsfB-5ed7A:
undetectable		 2wsfB-5ed7A:
16.78
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 PHE A  67
SER A  63
ALA A 300
LEU A 301
ALA A  66
 None
 1.48A 2wsfB-5ereA:
undetectable		 2wsfB-5ereA:
19.56
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		5 MET B 209
PHE B 204
SER B 211
ALA B 217
LEU B 218
 None
 1.34A 2wsfB-5l20B:
undetectable		 2wsfB-5l20B:
14.21
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 MET 1 684
PHE 1 685
SER 1 688
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
 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)
 0.66A 2wsfB-5oy01:
12.3		 2wsfB-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
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 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)
PQN  b1844 (-3.1A)
 0.82A 2wsfB-5oy0b:
12.1		 2wsfB-5oy0b:
10.03
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 6 TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 1.45A 2wsfB-5oy0b:
12.1		 2wsfB-5oy0b:
10.03
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens) 		no annotation 5 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.32A 2wsfB-6c0wA:
undetectable		 2wsfB-6c0wA:
7.77
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
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.78A 2wsfB-6fosA:
15.9		 2wsfB-6fosA:
6.68
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 PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.92A 2wsfB-6fosA:
15.9		 2wsfB-6fosA:
6.68
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
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.99A 2wsfB-6fosB:
11.7		 2wsfB-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 7 MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.88A 2wsfB-6fosB:
11.7		 2wsfB-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 6 SER B 664
TRP B 665
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 CLA  B1023 (-4.5A)
None
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 1.34A 2wsfB-6fosB:
11.7		 2wsfB-6fosB:
11.09