SIMILAR PATTERNS OF AMINO ACIDS FOR 2WSC_B_PQNB1773_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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 PHE A  84
ARG A  29
ALA A 109
LEU A  28
ALA A  31
 None
 1.13A 2wscB-1g6oA:
undetectable		 2wscB-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
 1.24A 2wscB-1iq7A:
undetectable		 2wscB-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.
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
 1.36A 2wscB-1u0kA:
undetectable		 2wscB-1u0kA:
18.80
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 2wscB-2gaiA:
0.0		 2wscB-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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 TRP A 362
PHE A 372
ARG A 363
LEU A 373
ALA A 370
 None
 1.35A 2wscB-2iyoA:
0.2		 2wscB-2iyoA:
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
 1.48A 2wscB-2x8aA:
undetectable		 2wscB-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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 PHE A 277
ARG A 268
ALA A 265
LEU A 269
ALA A 270
 None
 1.49A 2wscB-3czeA:
0.7		 2wscB-3czeA:
22.73
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
 1.33A 2wscB-3eb2A:
undetectable		 2wscB-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
 1.32A 2wscB-3ei8A:
0.0		 2wscB-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 2wscB-3ijlA:
undetectable		 2wscB-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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		5 MET A 272
PHE A 240
ALA A 258
LEU A 265
ALA A 270
 None
 1.25A 2wscB-3jyfA:
undetectable		 2wscB-3jyfA:
18.28
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.
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
 1.42A 2wscB-3p2cA:
0.3		 2wscB-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
 1.44A 2wscB-3wfpA:
undetectable		 2wscB-3wfpA:
17.64
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 TRP A  90
PHE A  60
ALA A 112
LEU A 116
ALA A 117
 None
None
GOL  A 301 (-3.4A)
None
None
 1.44A 2wscB-4jfcA:
undetectable		 2wscB-4jfcA:
16.76
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 TRP A  55
MET A 691
PHE A 692
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 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.82A 2wscB-4rkuA:
12.6		 2wscB-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) 		7 SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.31A 2wscB-4rkuB:
36.7		 2wscB-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) 		9 TRP B  22
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  B1238 ( 4.0A)
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)
 0.62A 2wscB-4rkuB:
36.7		 2wscB-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.
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
 1.50A 2wscB-5e44A:
undetectable		 2wscB-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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		5 MET A 295
PHE A 263
ALA A 281
LEU A 288
ALA A 293
 None
 1.36A 2wscB-5eqvA:
undetectable		 2wscB-5eqvA:
18.79
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
 1.47A 2wscB-5ereA:
undetectable		 2wscB-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.
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
 1.30A 2wscB-5h4vA:
undetectable		 2wscB-5h4vA:
22.01
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.
5mwn TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		5 PHE A  49
ARG A  63
ALA A  46
LEU A  64
ALA A  61
 None
 1.45A 2wscB-5mwnA:
undetectable		 2wscB-5mwnA:
18.77
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 8 TRP 1  49
MET 1 684
PHE 1 685
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 (-3.8A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.73A 2wscB-5oy01:
11.4		 2wscB-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 7 SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702
 PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 1.40A 2wscB-5oy0b:
19.7		 2wscB-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 9 TRP b  22
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  b1841 ( 4.0A)
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)
 0.83A 2wscB-5oy0b:
19.7		 2wscB-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)
 1.30A 2wscB-6c0wA:
undetectable		 2wscB-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 7 TRP A  46
MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.79A 2wscB-6fosA:
12.3		 2wscB-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 7 TRP A  46
PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.91A 2wscB-6fosA:
12.3		 2wscB-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)
 1.00A 2wscB-6fosB:
12.2		 2wscB-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 2wscB-6fosB:
12.2		 2wscB-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 TRP B  22
MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 None
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)
 0.87A 2wscB-6fosB:
12.2		 2wscB-6fosB:
11.09