SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGK_A_0TXA304_0

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.
1ule GALECTIN-2

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		5 GLY A  35
GLY A  34
VAL A  60
PHE A  84
PHE A 132
 None
 1.49A 4fgkA-1uleA:
undetectable
4fgkB-1uleA:
undetectable		 4fgkA-1uleA:
19.74
4fgkB-1uleA:
19.74
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B  63
GLY B  61
VAL B  77
PHE B  53
PHE A 191
 None
None
None
PEG  A1369 ( 4.2A)
PEG  A1369 (-4.8A)
 1.15A 4fgkA-1w85B:
2.2
4fgkB-1w85B:
4.9		 4fgkA-1w85B:
20.77
4fgkB-1w85B:
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.
1wl8 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT A

(Pyrococcus
horikoshii) 		PF00117
(GATase) 		5 GLY A  77
GLY A 162
VAL A  64
PHE A  89
PHE A 139
 None
 1.47A 4fgkA-1wl8A:
5.0
4fgkB-1wl8A:
5.1		 4fgkA-1wl8A:
20.85
4fgkB-1wl8A:
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A 353
GLY A 354
ASN A 259
VAL A 309
PHE A 334
 None
 1.37A 4fgkA-1yzyA:
2.7
4fgkB-1yzyA:
1.4		 4fgkA-1yzyA:
22.77
4fgkB-1yzyA:
22.77
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 410
GLY A 353
GLU A 413
ASN A 383
GLN A 143
 None
 1.46A 4fgkA-2fknA:
undetectable
4fgkB-2fknA:
undetectable		 4fgkA-2fknA:
19.89
4fgkB-2fknA:
19.89
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 GLY A 438
MET A 379
ASN A 331
PHE A 411
PHE A 447
 None
None
None
GOL  A2005 ( 4.6A)
GOL  A2005 (-4.7A)
 1.30A 4fgkA-2hb6A:
1.9
4fgkB-2hb6A:
3.1		 4fgkA-2hb6A:
20.49
4fgkB-2hb6A:
20.49
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.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		5 GLY A 106
GLY A 105
ASN A 157
VAL A 159
PHE A  89
 GLY  A 106 ( 0.0A)
GLY  A 105 ( 0.0A)
ASN  A 157 ( 0.6A)
VAL  A 159 ( 0.6A)
PHE  A  89 ( 1.3A)
 1.49A 4fgkA-2hk0A:
0.6
4fgkB-2hk0A:
undetectable		 4fgkA-2hk0A:
21.64
4fgkB-2hk0A:
21.64
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 TRP B  12
GLY B  28
GLY B  29
MET B  61
VAL B  48
 None
FAD  B   1 ( 4.8A)
FAD  B   1 (-3.0A)
FAD  B   1 (-3.8A)
None
 1.37A 4fgkA-3adaB:
undetectable
4fgkB-3adaB:
0.6		 4fgkA-3adaB:
20.90
4fgkB-3adaB:
20.90
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.
3im9 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Staphylococcus
aureus) 		PF00698
(Acyl_transf_1) 		5 GLY A 115
ASN A 158
VAL A 253
GLN A 248
PHE A 210
 None
None
None
CA  A 601 (-3.5A)
CA  A 601 ( 4.9A)
 1.39A 4fgkA-3im9A:
undetectable
4fgkB-3im9A:
1.7		 4fgkA-3im9A:
22.96
4fgkB-3im9A:
22.96
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 GLY B 694
GLY B 693
ASN B 485
VAL B 286
PHE B 248
 None
None
None
OCA  B   1 (-4.0A)
None
 1.16A 4fgkA-3l91B:
undetectable
4fgkB-3l91B:
undetectable		 4fgkA-3l91B:
19.82
4fgkB-3l91B:
19.82
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 TRP B 346
GLY B 371
VAL B 391
PHE B 297
PHE B 343
 None
 1.37A 4fgkA-3ml0B:
undetectable
4fgkB-3ml0B:
undetectable		 4fgkA-3ml0B:
18.06
4fgkB-3ml0B:
18.06
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		5 GLU A 222
VAL A  26
GLN A  23
PHE A  91
PHE A  93
 GOL  A 418 (-2.9A)
None
None
None
None
 1.50A 4fgkA-3os4A:
undetectable
4fgkB-3os4A:
undetectable		 4fgkA-3os4A:
19.90
4fgkB-3os4A:
19.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 ASN A  66
VAL A  69
GLN A 122
PHE A 126
PHE A 178
 None
None
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
TE7  A   1 (-3.6A)
 0.18A 4fgkA-3te7A:
38.9
4fgkB-3te7A:
39.6		 4fgkA-3te7A:
98.28
4fgkB-3te7A:
98.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
GLU A 193
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 ( 3.1A)
 0.08A 4fgkA-3te7A:
38.9
4fgkB-3te7A:
39.6		 4fgkA-3te7A:
98.28
4fgkB-3te7A:
98.28
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 218
GLY A 217
ASN A 125
VAL A 127
GLN A 148
 None
None
EDO  A 313 ( 4.4A)
SCN  A 314 (-4.8A)
None
 1.47A 4fgkA-3tl2A:
5.1
4fgkB-3tl2A:
5.3		 4fgkA-3tl2A:
21.91
4fgkB-3tl2A:
21.91
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLY A 120
GLY A 123
GLN A 142
PHE A 143
PHE A 226
 None
 1.45A 4fgkA-3x43A:
undetectable
4fgkB-3x43A:
undetectable		 4fgkA-3x43A:
22.39
4fgkB-3x43A:
22.39
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLY A 124
GLY A 123
GLN A 142
PHE A 143
PHE A 226
 None
 1.27A 4fgkA-3x43A:
undetectable
4fgkB-3x43A:
undetectable		 4fgkA-3x43A:
22.39
4fgkB-3x43A:
22.39
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.
4kbm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycobacterium
tuberculosis) 		PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1) 		5 GLY A  79
GLY A  78
ASN A 381
PHE A 151
PHE A 106
 None
 1.29A 4fgkA-4kbmA:
undetectable
4fgkB-4kbmA:
undetectable		 4fgkA-4kbmA:
20.83
4fgkB-4kbmA:
20.83
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.
4ppy PUTATIVE
ACYLHYDROLASE

(Bacteroides
fragilis) 		PF13472
(Lipase_GDSL_2) 		5 GLY A  84
GLY A  85
GLU A  63
ASN A  67
VAL A  66
 None
 1.47A 4fgkA-4ppyA:
3.5
4fgkB-4ppyA:
3.9		 4fgkA-4ppyA:
21.40
4fgkB-4ppyA:
21.40
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 475
GLY A 474
GLU A 477
ASN A 175
VAL A 161
 None
None
NAD  A 601 ( 4.8A)
None
None
 1.25A 4fgkA-4pxnA:
0.8
4fgkB-4pxnA:
1.4		 4fgkA-4pxnA:
18.22
4fgkB-4pxnA:
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 167
GLY A 166
ASN A 121
VAL A  96
GLN A  78
 None
None
XYL  A 401 (-3.0A)
None
None
 1.18A 4fgkA-4rs3A:
4.7
4fgkB-4rs3A:
3.7		 4fgkA-4rs3A:
23.96
4fgkB-4rs3A:
23.96
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 GLY A 444
GLY A 445
VAL A 498
PHE A 482
PHE A 478
 None
 1.26A 4fgkA-4ufcA:
undetectable
4fgkB-4ufcA:
undetectable		 4fgkA-4ufcA:
14.71
4fgkB-4ufcA:
14.71
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 GLY A  67
GLY A  66
ASN A 301
GLN A 388
PHE A 392
 GAL  A 501 (-3.3A)
None
GAL  A 501 (-3.2A)
None
None
 0.96A 4fgkA-5dvjA:
undetectable
4fgkB-5dvjA:
undetectable		 4fgkA-5dvjA:
19.48
4fgkB-5dvjA:
19.48
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 GLY A 474
GLY A 477
VAL A 468
PHE A 494
PHE A 530
 None
 1.39A 4fgkA-5fl7A:
undetectable
4fgkB-5fl7A:
undetectable		 4fgkA-5fl7A:
17.96
4fgkB-5fl7A:
17.96
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 GLY A  61
GLY A  60
ASN A  35
VAL A  66
PHE A 409
 None
 1.25A 4fgkA-5h7dA:
undetectable
4fgkB-5h7dA:
undetectable		 4fgkA-5h7dA:
20.12
4fgkB-5h7dA:
20.12
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 GLY A 193
GLU A 194
ASN A 160
VAL A 262
PHE A 276
 None
 1.48A 4fgkA-5mifA:
3.4
4fgkB-5mifA:
2.2		 4fgkA-5mifA:
21.71
4fgkB-5mifA:
21.71
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 GLY A  70
GLY A  69
GLU A  71
VAL A 196
GLN A 194
 None
 1.12A 4fgkA-5x3jA:
undetectable
4fgkB-5x3jA:
undetectable		 4fgkA-5x3jA:
undetectable
4fgkB-5x3jA:
undetectable
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 5 GLY A 138
GLY A 139
ASN A 117
PHE A 178
PHE A 143
 None
None
K  A 402 ( 4.8A)
None
None
 1.25A 4fgkA-6b2wA:
undetectable
4fgkB-6b2wA:
undetectable		 4fgkA-6b2wA:
undetectable
4fgkB-6b2wA:
undetectable