SIMILAR PATTERNS OF AMINO ACIDS FOR 1JGL_L_ESTL911_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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 GLY A 108
ALA A 125
TYR A 216
LEU A 104
PHE A  42
 None
 1.44A 1jglH-1mn6A:
undetectable
1jglL-1mn6A:
undetectable		 1jglH-1mn6A:
18.69
1jglL-1mn6A:
20.68
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.
1r3d CONSERVED
HYPOTHETICAL PROTEIN
VC1974

(Vibrio cholerae) 		PF12697
(Abhydrolase_6) 		5 GLN A  32
ALA A  45
LEU A  20
HIS A   7
PHE A   8
 None
 1.38A 1jglH-1r3dA:
undetectable
1jglL-1r3dA:
undetectable		 1jglH-1r3dA:
19.64
1jglL-1r3dA:
20.66
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLY A 158
ALA A 221
TYR A 222
HIS A 300
PHE A 298
 None
 1.26A 1jglH-1suvA:
undetectable
1jglL-1suvA:
undetectable		 1jglH-1suvA:
14.87
1jglL-1suvA:
15.94
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 GLY A1299
LEU A1255
TYR A1254
HIS A1282
PHE A1279
 None
 1.48A 1jglH-1ug3A:
undetectable
1jglL-1ug3A:
undetectable		 1jglH-1ug3A:
17.96
1jglL-1ug3A:
21.24
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.
2can ORNITHINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00202
(Aminotran_3) 		5 TRP A  71
GLY A  75
LEU A  62
TYR A  78
HIS A  92
 None
 1.38A 1jglH-2canA:
undetectable
1jglL-2canA:
undetectable		 1jglH-2canA:
20.16
1jglL-2canA:
19.80
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.
2cnm MODIFICATION OF 30S
RIBOSOMAL SUBUNIT
PROTEIN S18

(Salmonella
enterica) 		PF00583
(Acetyltransf_1) 		5 GLY A  37
ALA A  15
LEU A   7
PHE A  32
TRP A  27
 None
 1.32A 1jglH-2cnmA:
undetectable
1jglL-2cnmA:
undetectable		 1jglH-2cnmA:
16.97
1jglL-2cnmA:
21.93
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.
2e27 ANTI-CIGUATOXIN
ANTIBODY, HEAVY
CHAIN
ANTI-CIGUATOXIN
ANTIBODY, LIGHT
CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 GLY H1002
ALA L  34
TYR L  36
LEU L  46
TYR L  49
 None
AB0  H6001 ( 4.0A)
None
AB0  H6001 ( 4.9A)
AB0  H6001 (-4.6A)
 0.57A 1jglH-2e27H:
19.9
1jglL-2e27H:
16.2		 1jglH-2e27H:
27.98
1jglL-2e27H:
22.22
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.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 GLY A  82
ALA A 257
LEU A 261
TYR A 260
PHE A  86
 None
 1.28A 1jglH-2fn9A:
undetectable
1jglL-2fn9A:
undetectable		 1jglH-2fn9A:
19.37
1jglL-2fn9A:
18.94
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.
3bgu FERREDOXIN-LIKE
PROTEIN OF UNKNOWN
FUNCTION

(Thermobifida
fusca) 		PF07876
(Dabb) 		5 ALA A  59
TYR A  70
LEU A  37
TYR A  40
HIS A   5
 EDO  A 103 ( 4.6A)
EDO  A 103 ( 4.4A)
None
EDO  A 103 (-3.8A)
EDO  A 102 ( 3.6A)
 1.33A 1jglH-3bguA:
undetectable
1jglL-3bguA:
undetectable		 1jglH-3bguA:
17.57
1jglL-3bguA:
17.92
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 GLY A 111
ALA A 119
LEU A 116
HIS A 118
PHE A 149
 None
None
None
C  C  65 ( 4.6A)
None
 1.47A 1jglH-3jb9A:
undetectable
1jglL-3jb9A:
undetectable		 1jglH-3jb9A:
6.70
1jglL-3jb9A:
5.94
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.
3l9t PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.31

(Streptococcus
mutans) 		PF08713
(DNA_alkylation) 		5 GLY A  35
ALA A  26
TYR A  56
LEU A  60
TYR A  30
 None
 1.26A 1jglH-3l9tA:
undetectable
1jglL-3l9tA:
undetectable		 1jglH-3l9tA:
20.38
1jglL-3l9tA:
20.55
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.
3laq UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		PF00051
(Kringle) 		5 TRP A  75
GLY A  98
ALA A  63
TYR A  59
TYR A 102
 None
 1.42A 1jglH-3laqA:
undetectable
1jglL-3laqA:
undetectable		 1jglH-3laqA:
21.11
1jglL-3laqA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mnz ANTI-HIV-1 ANTIBODY
13H11 LIGHT CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA A  34
TYR A  36
LEU A  46
TYR A  49
TRP A  96
 None
 0.74A 1jglH-3mnzA:
16.8
1jglL-3mnzA:
26.6		 1jglH-3mnzA:
31.51
1jglL-3mnzA:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rkd MONOCLONAL ANTIBODY,
LIGHT CHAIN

(Mus musculus) 		no annotation 5 ALA L  34
TYR L  36
LEU L  46
TYR L  49
TRP L  96
 None
 0.68A 1jglH-3rkdL:
17.2
1jglL-3rkdL:
28.3		 1jglH-3rkdL:
31.91
1jglL-3rkdL:
92.52
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		5 ALA A 342
TYR A 325
LEU A 340
TYR A 341
HIS A 343
 None
 1.43A 1jglH-3sluA:
undetectable
1jglL-3sluA:
undetectable		 1jglH-3sluA:
20.95
1jglL-3sluA:
20.05
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.
3sob LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 GLN B 279
GLY B 106
ALA B 101
LEU B 145
TYR B 110
 None
 1.20A 1jglH-3sobB:
undetectable
1jglL-3sobB:
undetectable		 1jglH-3sobB:
20.57
1jglL-3sobB:
21.45
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLN A1395
GLY A1386
ALA A1342
TYR A1460
HIS A1339
 None
 1.44A 1jglH-3u9wA:
undetectable
1jglL-3u9wA:
undetectable		 1jglH-3u9wA:
16.64
1jglL-3u9wA:
16.56
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		5 GLY A 737
ALA A 865
LEU A 751
TYR A 862
PHE A 829
 None
 1.49A 1jglH-3zdrA:
undetectable
1jglL-3zdrA:
undetectable		 1jglH-3zdrA:
16.70
1jglL-3zdrA:
17.60
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.
4bjp PENICILLIN BINDING
PROTEIN
TRANSPEPTIDASE
DOMAIN PROTEIN

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 418
ALA A 516
TYR A 432
LEU A 428
TYR A 514
 None
 1.44A 1jglH-4bjpA:
undetectable
1jglL-4bjpA:
undetectable		 1jglH-4bjpA:
18.73
1jglL-4bjpA:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN
ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
LIGHT CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H  97
ALA L  34
TYR L  36
LEU L  46
TYR L  49
 None
 1.03A 1jglH-4hbcH:
23.3
1jglL-4hbcH:
15.0		 1jglH-4hbcH:
53.57
1jglL-4hbcH:
27.56
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 GLN A  74
TYR A  65
LEU A 129
TYR A 106
HIS A  68
 GOL  A 302 (-3.8A)
None
None
None
GOL  A 302 (-4.0A)
 1.44A 1jglH-4hesA:
undetectable
1jglL-4hesA:
undetectable		 1jglH-4hesA:
17.86
1jglL-4hesA:
20.75
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 GLY A 534
ALA A 274
LEU A 583
TYR A 284
PHE A   9
 None
 1.40A 1jglH-4k35A:
undetectable
1jglL-4k35A:
undetectable		 1jglH-4k35A:
13.47
1jglL-4k35A:
12.61
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		5 GLY A 479
ALA A 542
TYR A 528
HIS A 547
TRP A 573
 None
None
SGN  A 804 (-4.3A)
None
None
 1.20A 1jglH-4pxqA:
undetectable
1jglL-4pxqA:
undetectable		 1jglH-4pxqA:
17.54
1jglL-4pxqA:
16.44
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 GLY A 281
ALA A 147
TYR A  92
LEU A  88
HIS A 273
 None
 1.24A 1jglH-4q0cA:
undetectable
1jglL-4q0cA:
undetectable		 1jglH-4q0cA:
17.49
1jglL-4q0cA:
16.20
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.
4rzc FV M6P-1 HEAVY CHAIN

(Oryctolagus
cuniculus) 		no annotation 5 ALA L  34
TYR L  36
LEU L  46
TYR L  49
HIS L  89
 None
 0.66A 1jglH-4rzcL:
16.3
1jglL-4rzcL:
18.9		 1jglH-4rzcL:
25.54
1jglL-4rzcL:
31.10
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 5 GLN B  88
GLY B   5
ALA B  99
LEU B 129
HIS B 145
 None
None
None
None
ZN  B 201 (-3.3A)
 1.15A 1jglH-4tsdB:
undetectable
1jglL-4tsdB:
undetectable		 1jglH-4tsdB:
20.99
1jglL-4tsdB:
20.66
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.
4ydv HIV ANTIBODY 7B2
LIGHT CHAIN,IG KAPPA
CHAIN C REGION

(Homo sapiens) 		no annotation 5 ALA L  34
TYR L  36
LEU L  46
TYR L  49
HIS L  89
 None
 0.60A 1jglH-4ydvL:
17.3
1jglL-4ydvL:
25.8		 1jglH-4ydvL:
28.57
1jglL-4ydvL:
52.46
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 TRP H 207
GLY H 205
LEU H 130
TYR H 208
HIS H 199
 None
 1.36A 1jglH-4ylqH:
undetectable
1jglL-4ylqH:
undetectable		 1jglH-4ylqH:
20.91
1jglL-4ylqH:
20.77
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.
5e9d A6-TCR VALPHA
A6-TCR VBETA

(Homo sapiens) 		PF07686
(V-set) 		5 GLY D  96
ALA E  33
TYR E  35
LEU E  45
TYR E  48
 None
 0.79A 1jglH-5e9dD:
14.9
1jglL-5e9dD:
14.2		 1jglH-5e9dD:
22.02
1jglL-5e9dD:
23.74
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.
5grv HOMO-SPECIFIC
DIABODY LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 ALA K 158
TYR K 160
LEU K 170
TYR K 173
HIS K 213
 None
 0.61A 1jglH-5grvK:
17.0
1jglL-5grvK:
21.7		 1jglH-5grvK:
25.37
1jglL-5grvK:
33.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gs1 DIABODY

(Homo sapiens) 		PF07686
(V-set) 		5 ALA C 158
TYR C 160
LEU C 170
TYR C 173
HIS C 213
 None
 0.63A 1jglH-5gs1C:
17.5
1jglL-5gs1C:
18.9		 1jglH-5gs1C:
37.92
1jglL-5gs1C:
28.33
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.
5gs1 LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 ALA A  35
TYR A  37
LEU A  47
TYR A  50
HIS A  90
 None
 0.62A 1jglH-5gs1A:
17.1
1jglL-5gs1A:
21.9		 1jglH-5gs1A:
20.47
1jglL-5gs1A:
59.26
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 GLY A 245
ALA A 195
LEU A 199
HIS A 192
PHE A 235
 None
 1.24A 1jglH-5ykbA:
undetectable
1jglL-5ykbA:
undetectable		 1jglH-5ykbA:
15.36
1jglL-5ykbA:
16.52
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 5 ALA K 783
TYR K 753
LEU K 817
TYR K 782
HIS K 774
 None
None
None
None
A  O  60 ( 3.3A)
 1.41A 1jglH-6d6qK:
undetectable
1jglL-6d6qK:
undetectable		 1jglH-6d6qK:
17.51
1jglL-6d6qK:
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.
6eqc SCFV OF 9C12
ANTIBODY

(Mus musculus) 		no annotation 5 ALA D  41
TYR D  43
LEU D  53
TYR D  56
HIS D  96
 None
 0.60A 1jglH-6eqcD:
14.8
1jglL-6eqcD:
20.0		 1jglH-6eqcD:
16.20
1jglL-6eqcD:
49.02
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.
6eqc SCFV OF 9C12
ANTIBODY

(Mus musculus) 		no annotation 5 GLY D 229
ALA D  41
TYR D  43
LEU D  53
TYR D  56
 None
 1.00A 1jglH-6eqcD:
14.8
1jglL-6eqcD:
20.0		 1jglH-6eqcD:
16.20
1jglL-6eqcD:
49.02