SIMILAR PATTERNS OF AMINO ACIDS FOR 1JQD_A_HSMA600

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.
1i21 GLUCOSAMINE-PHOSPHAT
E
N-ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		4 GLU A  22
GLN A  19
VAL A  75
ASN A 103
 None
 1.49A 1jqdA-1i21A:
undetectable		 1jqdA-1i21A:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		7 PHE A  22
GLU A  28
GLN A 143
VAL A 173
TRP A 179
TRP A 183
ASN A 283
 None
None
None
None
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
None
 0.38A 1jqdA-1jqeA:
42.3		 1jqdA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		4 PHE A 243
GLN A 143
VAL A 173
TRP A 179
 QUN  A 500 (-4.1A)
None
None
QUN  A 500 (-3.6A)
 1.20A 1jqdA-1jqeA:
42.3		 1jqdA-1jqeA:
99.66
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.
1qo0 AMIR

(Pseudomonas
aeruginosa) 		PF03861
(ANTAR) 		4 PHE D  61
GLN D 108
VAL D  24
ASN D  19
 None
 1.15A 1jqdA-1qo0D:
1.8		 1jqdA-1qo0D:
22.97
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 GLU A 431
TRP A 582
TRP A 313
ASN A 513
 ACR  A3000 (-3.5A)
None
None
ACR  A3000 (-3.5A)
 0.97A 1jqdA-1ulvA:
undetectable		 1jqdA-1ulvA:
13.57
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 4 PHE A   2
GLN A  94
VAL A 119
TRP A   6
 None
 1.37A 1jqdA-1y8aA:
1.7		 1jqdA-1y8aA:
22.47
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.
2i51 UNCHARACTERIZED
CONSERVED PROTEIN OF
COG5135

(Nostoc
punctiforme) 		PF12766
(Pyridox_oxase_2) 		4 PHE A  47
VAL A 164
TRP A   6
TRP A 187
 None
EDO  A 304 ( 4.8A)
None
None
 1.32A 1jqdA-2i51A:
undetectable		 1jqdA-2i51A:
19.26
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A  11
GLU A   9
VAL A  64
TRP A  66
 None
 1.29A 1jqdA-2nqlA:
0.4		 1jqdA-2nqlA:
19.44
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		4 PHE A 216
GLU A 125
GLN A 132
ASN A 158
 None
AHB  A7002 (-3.2A)
None
AHB  A7002 (-3.5A)
 1.43A 1jqdA-2og7A:
0.8		 1jqdA-2og7A:
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.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A  11
GLU A   9
VAL A  64
TRP A  66
 None
 1.37A 1jqdA-2ppgA:
0.0		 1jqdA-2ppgA:
19.63
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		4 GLU A 101
VAL A 152
TRP A 154
ASN A  99
 None
 1.41A 1jqdA-2qzuA:
undetectable		 1jqdA-2qzuA:
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.
2v5n CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00878
(CIMR) 		4 PHE A1527
GLU A1647
GLN A1648
ASN A1520
 None
 1.40A 1jqdA-2v5nA:
undetectable		 1jqdA-2v5nA:
22.82
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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		4 PHE A 187
GLU A 121
GLN A  15
TRP A 188
 None
4CS  A1311 ( 4.4A)
4CS  A1311 ( 4.6A)
4CS  A1311 (-3.6A)
 1.47A 1jqdA-2vpnA:
undetectable		 1jqdA-2vpnA:
19.88
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		4 PHE A  28
VAL A 228
TRP A 177
ASN A 179
 None
 1.12A 1jqdA-3alfA:
undetectable		 1jqdA-3alfA:
21.37
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		4 PHE A  29
VAL A 229
TRP A 178
ASN A 180
 None
 1.14A 1jqdA-3aquA:
undetectable		 1jqdA-3aquA:
22.44
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 GLU A 699
GLN A 770
VAL A 765
ASN A 696
 None
 1.33A 1jqdA-3ecqA:
2.8		 1jqdA-3ecqA:
11.93
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.
3eq1 PORPHOBILINOGEN
DEAMINASE

(Homo sapiens) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 PHE A 158
GLU A 210
GLN A 204
VAL A 123
 None
 1.47A 1jqdA-3eq1A:
undetectable		 1jqdA-3eq1A:
21.47
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.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		4 GLN A 290
TRP A 392
TRP A 395
ASN A 320
 OPE  A 603 (-2.6A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
 1.34A 1jqdA-3fi8A:
undetectable		 1jqdA-3fi8A:
21.75
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.
3hfi PUTATIVE REGULATOR

(Escherichia
coli) 		PF07702
(UTRA) 		4 PHE A  92
GLN A 136
VAL A 151
ASN A  71
 None
 1.32A 1jqdA-3hfiA:
undetectable		 1jqdA-3hfiA:
19.51
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLU A 381
GLN A 272
VAL A 274
ASN A 458
 None
 1.38A 1jqdA-3ho8A:
undetectable		 1jqdA-3ho8A:
13.74
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 349
GLN A  52
VAL A  36
TRP A 344
 None
 1.43A 1jqdA-3t9pA:
2.1		 1jqdA-3t9pA:
19.50
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.
3uzv ANTI-DENGUE MAB 4E11
ENVELOPE PROTEIN

(Dengue virus;
Mus musculus) 		PF02832
(Flavi_glycop_C)
PF07686
(V-set) 		4 GLU A 311
VAL B 230
TRP B 232
TRP B  48
 None
 1.17A 1jqdA-3uzvA:
undetectable		 1jqdA-3uzvA:
13.31
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		4 GLU A 273
VAL A 102
TRP A  80
ASN A 177
 NA  A 402 (-2.8A)
None
None
NA  A 402 ( 4.8A)
 1.30A 1jqdA-3wsuA:
undetectable		 1jqdA-3wsuA:
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.
4fk9 CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF00150
(Cellulase) 		4 GLU A 273
VAL A 102
TRP A  80
ASN A 177
 None
 1.32A 1jqdA-4fk9A:
undetectable		 1jqdA-4fk9A:
23.78
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.
4ilg A1 CISTRON-SPLICING
FACTOR AAR2

(Saccharomyces
cerevisiae) 		PF05282
(AAR2) 		4 PHE A 214
GLU A 223
GLN A 242
VAL A 180
 None
 1.22A 1jqdA-4ilgA:
undetectable		 1jqdA-4ilgA:
23.18
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.
4u8h CRYPTOCHROME-2
PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
PF12114
(Period_C) 		4 PHE A 355
GLN B1154
TRP A 466
ASN A 490
 None
 1.31A 1jqdA-4u8hA:
undetectable		 1jqdA-4u8hA:
19.44
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		4 GLU A 202
VAL A 140
TRP A 235
ASN A 172
 None
 1.14A 1jqdA-4upiA:
undetectable		 1jqdA-4upiA:
20.25
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.
4ymd COLLECTIN-11

(Homo sapiens) 		PF00059
(Lectin_C) 		4 PHE A 225
GLU A 183
TRP A 251
ASN A 186
 None
 1.03A 1jqdA-4ymdA:
undetectable		 1jqdA-4ymdA:
19.01
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 GLU A 699
GLN A 770
VAL A 765
ASN A 696
 None
 1.35A 1jqdA-5a55A:
2.6		 1jqdA-5a55A:
13.22
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		4 GLU A 337
GLN A 187
VAL A 132
TRP A 172
 None
 1.03A 1jqdA-5cd6A:
undetectable		 1jqdA-5cd6A:
19.30
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		4 GLU A 312
VAL A 366
TRP A 356
ASN A  51
 None
 1.33A 1jqdA-5eowA:
undetectable		 1jqdA-5eowA:
20.28
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.
5f9o CLADE A/E 93TH057
HIV-1 GP120 CORE

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 PHE G 210
VAL G 108
TRP G 112
TRP G 427
 None
 1.48A 1jqdA-5f9oG:
undetectable		 1jqdA-5f9oG:
20.41
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 GLN A 308
TRP A 420
TRP A 423
ASN A 345
 NBR  A1458 ( 3.3A)
NBR  A1458 (-3.4A)
NBR  A1458 ( 3.5A)
NBR  A1458 ( 4.9A)
 1.14A 1jqdA-5ftgA:
undetectable		 1jqdA-5ftgA:
24.00
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		4 PHE A 329
GLU A 349
VAL A 334
ASN A 331
 None
 1.50A 1jqdA-5gk2A:
undetectable		 1jqdA-5gk2A:
21.52
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.
5i9q 426C.TM4DV1-3 P120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 PHE A 210
VAL A 108
TRP A 112
TRP A 427
 None
None
None
EDO  A 606 (-4.7A)
 1.34A 1jqdA-5i9qA:
undetectable		 1jqdA-5i9qA:
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 PHE A 273
GLU A  76
GLN A  28
VAL A 303
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.44A 1jqdA-5m28A:
undetectable		 1jqdA-5m28A:
20.20
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		4 PHE N 399
TRP N 362
TRP N 742
ASN N 361
 None
 1.41A 1jqdA-5mpdN:
undetectable		 1jqdA-5mpdN:
15.82
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 4 PHE A 609
GLU A 314
GLN A 310
ASN A  82
 None
 1.43A 1jqdA-5wabA:
undetectable		 1jqdA-5wabA:
14.93
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 PHE L 148
GLN L 193
VAL L 257
ASN L 143
 None
 1.39A 1jqdA-6ehsL:
undetectable		 1jqdA-6ehsL:
15.00
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 4 PHE A 321
GLN A 529
VAL A 354
ASN A 350
 None
 1.09A 1jqdA-6ei3A:
undetectable		 1jqdA-6ei3A:
19.53