SIMILAR PATTERNS OF AMINO ACIDS FOR 3W1W_A_SALA1505

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.
1iqr PHOTOLYASE

(Thermus
thermophilus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 PRO A 170
LEU A 172
PRO A 175
TRP A  49
LEU A 340
 None
 1.30A 3w1wA-1iqrA:
1.9
3w1wB-1iqrA:
2.1		 3w1wA-1iqrA:
20.53
3w1wB-1iqrA:
20.53
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 VAL A 390
SER A 524
LEU A 392
PRO A 527
LEU A 567
 None
 1.34A 3w1wA-1lq2A:
1.6
3w1wB-1lq2A:
1.6		 3w1wA-1lq2A:
22.41
3w1wB-1lq2A:
22.41
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 VAL A 391
SER A 338
LEU A 376
PRO A 379
SER A 382
 None
 1.31A 3w1wA-1wu2A:
2.4
3w1wB-1wu2A:
2.8		 3w1wA-1wu2A:
20.96
3w1wB-1wu2A:
20.96
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.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 VAL A 428
SER A 470
LEU A 494
SER A 448
LEU A 462
 None
 1.23A 3w1wA-2omvA:
undetectable
3w1wB-2omvA:
undetectable		 3w1wA-2omvA:
21.74
3w1wB-2omvA:
21.74
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 VAL A 436
LEU A 416
PRO A 478
TRP A 432
LEU A 481
 None
 1.49A 3w1wA-2qa1A:
0.0
3w1wB-2qa1A:
0.0		 3w1wA-2qa1A:
20.59
3w1wB-2qa1A:
20.59
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 VAL A 261
PRO A 258
LEU A 262
PRO A 298
LEU A 292
 None
 1.41A 3w1wA-2qjoA:
1.3
3w1wB-2qjoA:
1.4		 3w1wA-2qjoA:
23.06
3w1wB-2qjoA:
23.06
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 VAL A 201
TRP A  46
LEU A  47
SER A 447
LEU A 485
 None
 1.47A 3w1wA-2ze4A:
0.0
3w1wB-2ze4A:
0.0		 3w1wA-2ze4A:
21.88
3w1wB-2ze4A:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 VAL A 270
PRO A 277
SER A 281
TRP A 301
LEU A 311
 None
 0.19A 3w1wA-3aqiA:
60.5
3w1wB-3aqiA:
60.3		 3w1wA-3aqiA:
99.72
3w1wB-3aqiA:
99.72
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 VAL A 219
PRO A 143
LEU A 213
TRP A 145
LEU A 152
 None
 1.25A 3w1wA-3hbjA:
3.1
3w1wB-3hbjA:
3.4		 3w1wA-3hbjA:
22.36
3w1wB-3hbjA:
22.36
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 VAL A  40
PRO A 115
SER A 117
LEU A 293
SER A  98
 None
None
PHE  A 400 (-4.2A)
PHE  A 400 (-4.1A)
None
 1.28A 3w1wA-3td9A:
4.3
3w1wB-3td9A:
4.4		 3w1wA-3td9A:
21.98
3w1wB-3td9A:
21.98
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 VAL A 398
LEU A 400
PRO A 533
SER A 530
LEU A 579
 None
 1.42A 3w1wA-3uszA:
2.1
3w1wB-3uszA:
1.9		 3w1wA-3uszA:
20.00
3w1wB-3uszA:
20.00
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 VAL A 398
SER A 530
LEU A 400
PRO A 533
LEU A 579
 None
 1.30A 3w1wA-3uszA:
2.1
3w1wB-3uszA:
1.9		 3w1wA-3uszA:
20.00
3w1wB-3uszA:
20.00
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 VAL A 611
PRO A 576
TRP A 603
LEU A 534
LEU A 496
 None
 1.40A 3w1wA-3wstA:
2.1
3w1wB-3wstA:
2.1		 3w1wA-3wstA:
20.85
3w1wB-3wstA:
20.85
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PRO A  90
TRP A 123
LEU A  19
SER A 211
LEU A  80
 None
 1.23A 3w1wA-4bedA:
undetectable
3w1wB-4bedA:
undetectable		 3w1wA-4bedA:
14.03
3w1wB-4bedA:
14.03
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 SER A 211
LEU A  80
PRO A  90
TRP A 123
LEU A  19
 None
 1.26A 3w1wA-4bedA:
undetectable
3w1wB-4bedA:
undetectable		 3w1wA-4bedA:
14.03
3w1wB-4bedA:
14.03
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.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 5 PRO C  74
SER C  15
LEU C  84
SER C  13
LEU C  38
 FMN  C 201 (-4.1A)
FMN  C 201 (-2.5A)
None
FMN  C 201 (-2.5A)
None
 1.32A 3w1wA-4ptzC:
3.5
3w1wB-4ptzC:
3.0		 3w1wA-4ptzC:
21.36
3w1wB-4ptzC:
21.36
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.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 5 SER C  13
LEU C  38
PRO C  74
SER C  15
LEU C  84
 FMN  C 201 (-2.5A)
None
FMN  C 201 (-4.1A)
FMN  C 201 (-2.5A)
None
 1.23A 3w1wA-4ptzC:
3.5
3w1wB-4ptzC:
3.0		 3w1wA-4ptzC:
21.36
3w1wB-4ptzC:
21.36
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 5 VAL A 414
LEU A 416
PRO A 543
SER A 540
LEU A 583
 None
 1.41A 3w1wA-5m6gA:
2.2
3w1wB-5m6gA:
2.7		 3w1wA-5m6gA:
20.63
3w1wB-5m6gA:
20.63
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 5 VAL A 414
SER A 540
LEU A 416
PRO A 543
LEU A 583
 None
 1.37A 3w1wA-5m6gA:
2.2
3w1wB-5m6gA:
2.7		 3w1wA-5m6gA:
20.63
3w1wB-5m6gA:
20.63
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.
5opt 40S RIBOSOMAL
PROTEIN S2, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 VAL d 203
SER d 207
LEU d 176
PRO d 191
LEU d 195
 None
C  E   4 ( 3.4A)
None
None
None
 1.49A 3w1wA-5optd:
undetectable
3w1wB-5optd:
undetectable		 3w1wA-5optd:
22.77
3w1wB-5optd:
22.77