SIMILAR PATTERNS OF AMINO ACIDS FOR 6HQB_B_PQNB2002

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.
1ds9 OUTER ARM DYNEIN

(Chlamydomonas
reinhardtii) 		PF12799
(LRR_4) 		5 MET A  69
SER A  65
ILE A  34
ALA A   4
ALA A  42
 None
 1.40A 6hqbB-1ds9A:
undetectable		 6hqbB-1ds9A:
17.68
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.
1iq7 OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 MET A 468
ARG A 460
TRP A 464
ALA A 457
ALA A 462
 None
 1.17A 6hqbB-1iq7A:
undetectable		 6hqbB-1iq7A:
14.68
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 MET A   1
ILE A 270
ALA A 246
LEU A   4
ALA A  37
 None
 1.25A 6hqbB-1y56A:
undetectable		 6hqbB-1y56A:
9.92
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.
2fom POLYPROTEIN

(Dengue virus) 		PF00949
(Peptidase_S7) 		5 SER B 131
ILE B  25
ALA B  38
LEU B 100
ALA B  99
 None
 1.14A 6hqbB-2fomB:
undetectable		 6hqbB-2fomB:
18.39
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 MET A  65
SER A  64
ILE A 349
ALA A 371
LEU A  24
 None
None
None
None
PG4  A 529 (-3.8A)
 1.39A 6hqbB-2pyxA:
0.0		 6hqbB-2pyxA:
10.86
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 SER A  87
ARG A  37
ALA A  60
LEU A  38
ALA A  36
 None
 1.47A 6hqbB-2wsbA:
0.0		 6hqbB-2wsbA:
13.94
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.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 109
ILE A  94
ALA A  90
LEU A  87
ALA A 129
 None
 1.47A 6hqbB-3e8xA:
undetectable		 6hqbB-3e8xA:
14.41
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 MET A 142
SER A 141
ILE A  88
ALA A 118
LEU A 119
 None
 1.42A 6hqbB-3lopA:
0.0		 6hqbB-3lopA:
11.68
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 120
ILE A 344
ALA A 309
LEU A 313
ALA A 127
 None
 1.47A 6hqbB-3r11A:
undetectable		 6hqbB-3r11A:
12.36
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.
3skp SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 MET A 464
ARG A 456
TRP A 460
ALA A 453
ALA A 458
 None
SO4  A   1 (-4.8A)
None
None
None
 1.27A 6hqbB-3skpA:
undetectable		 6hqbB-3skpA:
13.06
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 MET A 480
SER A 477
ILE A 555
ALA A 564
LEU A 568
 None
 1.44A 6hqbB-3tbkA:
undetectable		 6hqbB-3tbkA:
8.47
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 MET A 447
SER A 445
ILE A 140
ALA A  99
LEU A  97
 None
 1.39A 6hqbB-3vilA:
undetectable		 6hqbB-3vilA:
12.89
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 SER A   8
ILE A 155
ALA A 153
LEU A 135
ALA A 138
 None
 1.49A 6hqbB-3wxbA:
undetectable		 6hqbB-3wxbA:
14.86
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 MET X 346
SER X 359
ARG X 579
LEU X 582
ALA X 210
 None
 1.47A 6hqbB-3zyyX:
undetectable		 6hqbB-3zyyX:
9.06
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.
4a2p RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 MET A 481
SER A 478
ILE A 555
ALA A 564
LEU A 568
 None
 1.49A 6hqbB-4a2pA:
0.5		 6hqbB-4a2pA:
9.01
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 MET A 481
SER A 478
ILE A 555
ALA A 564
LEU A 568
 None
 1.46A 6hqbB-4a2qA:
0.4		 6hqbB-4a2qA:
7.05
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 MET A 481
SER A 478
ILE A 555
ALA A 564
LEU A 568
 None
 1.45A 6hqbB-4a2wA:
undetectable		 6hqbB-4a2wA:
6.00
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.
4dz6 NUCLEOSIDE
DIPHOSPHATE KINASE

(Borreliella
burgdorferi) 		PF00334
(NDK) 		5 SER A  89
ARG A  94
ILE A 133
ALA A 135
ALA A 142
 None
ADP  A1001 ( 2.9A)
None
VN4  A1002 (-4.6A)
None
 1.34A 6hqbB-4dz6A:
undetectable		 6hqbB-4dz6A:
18.50
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 MET A 229
ILE A  60
ALA A  76
LEU A 222
ALA A 223
 None
 1.42A 6hqbB-4fx5A:
undetectable		 6hqbB-4fx5A:
11.00
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.
4k17 LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A

(Mus musculus) 		PF13516
(LRR_6) 		5 MET A 627
ILE A 615
ALA A 592
LEU A 595
ALA A 598
 None
 1.42A 6hqbB-4k17A:
undetectable		 6hqbB-4k17A:
9.71
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.
4of0 PROTEIN SYG-1,
ISOFORM B

(Caenorhabditis
elegans) 		PF07679
(I-set)
PF08205
(C2-set_2) 		5 SER A 229
TRP A 165
ILE A 245
ALA A 166
LEU A 180
 None
 1.42A 6hqbB-4of0A:
undetectable		 6hqbB-4of0A:
14.17
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 5 SER H 428
TRP H 377
TRP H 295
ILE H 503
ALA H 378
 None
 1.38A 6hqbB-4qfkH:
undetectable		 6hqbB-4qfkH:
9.53
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET A 691
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.65A 6hqbB-4rkuA:
33.8		 6hqbB-4rkuA:
12.42
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.33A 6hqbB-4rkuB:
42.5		 6hqbB-4rkuB:
11.41
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ARG A  31
ILE A 384
ALA A 385
LEU A  28
ALA A  29
 None
 1.43A 6hqbB-4wctA:
undetectable		 6hqbB-4wctA:
11.62
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 SER A  43
ILE A  88
ALA A 162
LEU A 163
ALA A  17
 FAD  A 401 (-2.3A)
None
None
None
None
 1.49A 6hqbB-4yshA:
undetectable		 6hqbB-4yshA:
12.50
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ARG A  95
ILE A  88
ALA A  92
LEU A  96
ALA A  97
 None
 1.42A 6hqbB-5bwiA:
undetectable		 6hqbB-5bwiA:
12.31
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.
5ixd TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 5 SER A 404
ILE A  95
ALA A  57
LEU A  80
ALA A  79
 None
 1.46A 6hqbB-5ixdA:
undetectable		 6hqbB-5ixdA:
10.15
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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 5 TRP A 161
ILE A  70
ALA A 153
LEU A 156
ALA A 160
 None
TLA  A 402 (-3.3A)
OLA  A 404 ( 4.0A)
9P2  A 401 (-3.9A)
9P2  A 401 ( 3.9A)
 1.46A 6hqbB-5o9hA:
1.2		 6hqbB-5o9hA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET 1 684
SER 1 688
ARG 1 690
TRP 1 693
ILE 1 697
ALA 1 717
LEU 1 718
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.4A)
None
PQN  1 842 ( 3.3A)
None
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.40A 6hqbB-5oy01:
34.1		 6hqbB-5oy01:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 9 MET b 659
SER b 663
TRP b 664
ARG b 665
TRP b 668
ILE b 672
ALA b 696
LEU b 697
ALA b 702
 CLA  b1807 ( 3.2A)
PQN  b1844 (-3.7A)
None
None
PQN  b1844 ( 3.4A)
CLA  b1841 (-4.6A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
PQN  b1844 (-3.1A)
 0.37A 6hqbB-5oy0b:
44.1		 6hqbB-5oy0b:
100.00
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.
6az1 RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 5 SER H 173
ILE H  86
ALA H 160
LEU H 159
ALA H 144
 None
 1.00A 6hqbB-6az1H:
undetectable		 6hqbB-6az1H:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 MET A 681
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.67A 6hqbB-6fosA:
31.5		 6hqbB-6fosA:
34.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 6 SER A 685
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.85A 6hqbB-6fosA:
31.5		 6hqbB-6fosA:
34.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 MET B 660
SER B 664
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 PQN  B2002 ( 3.2A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.85A 6hqbB-6fosB:
32.7		 6hqbB-6fosB:
85.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 SER B 664
TRP B 665
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 CLA  B1023 (-4.5A)
None
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.09A 6hqbB-6fosB:
32.7		 6hqbB-6fosB:
85.71