SIMILAR PATTERNS OF AMINO ACIDS FOR 4AC0_A_MIYA1204_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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		5 PHE A 288
ASN A 147
THR A 290
LEU A 405
LEU A 254
 None
 1.40A 4ac0A-1eyyA:
0.0		 4ac0A-1eyyA:
16.50
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.
1faw HEMOGLOBIN (ALPHA
SUBUNIT)

(Anser anser) 		PF00042
(Globin) 		5 PHE A 105
PHE A  98
HIS A  87
THR A  28
LEU A  29
 None
HEM  A 150 ( 4.2A)
HEM  A 150 (-3.4A)
None
None
 1.16A 4ac0A-1fawA:
undetectable		 4ac0A-1fawA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 HIS A  64
ASN A  82
PHE A  86
ARG A 104
THR A 112
 None
None
None
IMD  A   1 (-3.6A)
None
 0.97A 4ac0A-1qpiA:
24.7		 4ac0A-1qpiA:
65.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
ASN A  82
PHE A  86
GLN A 109
GLN A 116
LEU A 131
 None
 1.07A 4ac0A-1qpiA:
24.7		 4ac0A-1qpiA:
65.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
THR A 112
GLN A 116
LEU A 131
 None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.68A 4ac0A-1qpiA:
24.7		 4ac0A-1qpiA:
65.00
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 HIS A 222
HIS A 274
ARG A 264
LEU A  47
LEU A  56
 None
 1.44A 4ac0A-1r6xA:
0.0		 4ac0A-1r6xA:
20.10
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		5 ASN A  46
PRO A  23
LEU A 165
GLN A 200
LEU A  26
 None
 1.46A 4ac0A-2a4mA:
undetectable		 4ac0A-2a4mA:
23.60
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 PHE A  78
HIS A  12
PRO A 500
LEU A 399
LEU A 495
 None
 1.31A 4ac0A-2eijA:
0.7		 4ac0A-2eijA:
18.04
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.
2gks BIFUNCTIONAL SAT/APS
KINASE

(Aquifex
aeolicus) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 HIS A 197
HIS A 250
ARG A 240
LEU A  22
LEU A  31
 None
 1.47A 4ac0A-2gksA:
0.0		 4ac0A-2gksA:
17.40
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.
3at6 ALPHAA-GLOBIN

(Podocnemis
unifilis) 		PF00042
(Globin) 		5 PHE A 105
PHE A  98
HIS A  87
THR A  28
LEU A  29
 None
HEM  A 142 (-3.9A)
HEM  A 142 (-3.3A)
None
None
 1.06A 4ac0A-3at6A:
undetectable		 4ac0A-3at6A:
20.69
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.
3att PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01636
(APH) 		5 PHE A 149
ASN A 152
PHE A 154
PRO A 303
GLN A 291
 None
 1.43A 4ac0A-3attA:
3.4		 4ac0A-3attA:
22.51
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2
DNA POLYMERASE
SUBUNIT DELTA-3

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF09507
(CDC27) 		5 ASN A  21
THR A  12
LEU A  13
GLN B  39
LEU B  41
 None
 1.32A 4ac0A-3e0jA:
undetectable		 4ac0A-3e0jA:
17.44
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 HIS A 202
GLN A 115
THR A  96
LEU A  95
LEU A  54
 PO4  A 278 (-3.8A)
None
None
None
None
 1.49A 4ac0A-3fs2A:
undetectable		 4ac0A-3fs2A:
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.
3i4u ATP-DEPENDENT RNA
HELICASE DHX8

(Homo sapiens) 		PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 PHE A1180
PRO A 987
GLN A 960
THR A 963
LEU A 964
 None
 1.45A 4ac0A-3i4uA:
undetectable		 4ac0A-3i4uA:
22.30
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.
3uc9 INCREASED
RECOMBINATION
CENTERS PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 HIS A 176
ASN A 111
PHE A 113
GLN A   7
LEU A  79
 None
 1.49A 4ac0A-3uc9A:
undetectable		 4ac0A-3uc9A:
22.83
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 PHE A 590
PRO A 601
GLN A 589
LEU A 592
LEU A 594
 None
 1.37A 4ac0A-3uszA:
undetectable		 4ac0A-3uszA:
13.97
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.
3wtg HEMOGLOBIN SUBUNIT
ALPHA-A

(Dromaius
novaehollandiae) 		PF00042
(Globin) 		5 PHE A 105
PHE A  98
HIS A  87
THR A  28
LEU A  29
 None
HEM  A 201 (-4.0A)
HEM  A 201 ( 3.2A)
None
None
 1.03A 4ac0A-3wtgA:
undetectable		 4ac0A-3wtgA:
18.78
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.
3wtg HEMOGLOBIN SUBUNIT
ALPHA-A

(Dromaius
novaehollandiae) 		PF00042
(Globin) 		5 PHE A 105
PHE A  98
HIS A  87
THR A  28
LEU A  32
 None
HEM  A 201 (-4.0A)
HEM  A 201 ( 3.2A)
None
None
 1.38A 4ac0A-3wtgA:
undetectable		 4ac0A-3wtgA:
18.78
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		5 PHE A 355
ARG A 328
THR A 295
GLN A 342
LEU A 291
 None
 1.33A 4ac0A-3zmrA:
undetectable		 4ac0A-3zmrA:
18.22
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		5 ASN A 588
HIS A 627
PRO A 594
LEU A 523
LEU A 532
 None
 1.04A 4ac0A-4c1oA:
2.2		 4ac0A-4c1oA:
14.50
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 PHE A  39
HIS A  80
THR A 451
LEU A 453
LEU A 361
 None
None
None
None
NAG  A1364 (-4.4A)
 1.36A 4ac0A-4ccdA:
0.6		 4ac0A-4ccdA:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
THR A 112
GLN A 116
 None
 0.73A 4ac0A-4d5cA:
26.7		 4ac0A-4d5cA:
65.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 109
THR A 112
GLN A 116
 None
 0.92A 4ac0A-4d5cA:
26.7		 4ac0A-4d5cA:
65.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 PHE A  86
HIS A 100
PRO A 105
GLN A 109
LEU A 117
 None
 1.06A 4ac0A-4d5cA:
26.7		 4ac0A-4d5cA:
65.20
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.
4fle ESTERASE

(Yersinia
enterocolitica) 		PF05728
(UPF0227) 		5 PRO A  92
GLN A 144
LEU A 142
GLN A 165
LEU A 134
 None
 1.22A 4ac0A-4fleA:
undetectable		 4ac0A-4fleA:
22.62
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.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		5 PRO D  62
THR D  65
LEU D  64
GLN D  68
LEU D  39
 None
 1.41A 4ac0A-4j3oD:
undetectable		 4ac0A-4j3oD:
12.69
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.
4m1n UBIQUITIN
CONJUGATING ENZYME
UBC9

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		5 PHE A  77
PRO A  84
GLN A 130
GLN A 151
LEU A  52
 None
 1.34A 4ac0A-4m1nA:
undetectable		 4ac0A-4m1nA:
17.62
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.
4n0t U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1)
PF16842
(RRM_occluded) 		5 PHE A 331
GLN A 330
LEU A 327
GLN A 378
LEU A 149
 None
 1.34A 4ac0A-4n0tA:
undetectable		 4ac0A-4n0tA:
21.49
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 PHE A 166
ASN A 170
GLN A 161
THR A 165
LEU A 113
 None
 1.47A 4ac0A-4n3oA:
undetectable		 4ac0A-4n3oA:
21.25
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.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 HIS A  20
PHE A  23
ARG A 268
LEU A 242
GLN A 245
 None
 1.41A 4ac0A-4omuA:
undetectable		 4ac0A-4omuA:
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 ASN A 566
HIS A 605
PRO A 572
LEU A 501
LEU A 510
 None
 1.02A 4ac0A-4rhhA:
2.1		 4ac0A-4rhhA:
14.04
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.
5f0k VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		5 PHE A 380
PHE A 425
PRO A 405
THR A 376
LEU A 373
 None
 1.45A 4ac0A-5f0kA:
1.5		 4ac0A-5f0kA:
20.52
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.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 PRO B 241
GLN B 221
LEU B 245
GLN B 249
LEU B 251
 None
 1.48A 4ac0A-5lw7B:
undetectable		 4ac0A-5lw7B:
17.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 6 HIS A  64
ASN A  82
ARG A 104
PRO A 105
THR A 112
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
 0.94A 4ac0A-5mruA:
24.9		 4ac0A-5mruA:
44.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
 0.68A 4ac0A-5mruA:
24.9		 4ac0A-5mruA:
44.66
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 PHE A 119
HIS A 243
PRO A 176
GLN A 120
LEU A 161
 None
 1.23A 4ac0A-5wy3A:
undetectable		 4ac0A-5wy3A:
20.49