SIMILAR PATTERNS OF AMINO ACIDS FOR 4XK8_B_PQNB842_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.
1ais PROTEIN
(TRANSCRIPTION
INITIATION FACTOR
IIB)

(Pyrococcus
woesei) 		PF00382
(TFIIB) 		5 SER B1222
ILE B1232
ALA B1229
LEU B1255
ALA B1216
 None
 1.49A 4xk8B-1aisB:
undetectable		 4xk8B-1aisB:
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.
1dkg MOLECULAR CHAPERONE
DNAK
NUCLEOTIDE EXCHANGE
FACTOR GRPE

(Escherichia
coli) 		PF00012
(HSP70)
PF01025
(GrpE) 		5 MET A 189
ILE D 286
ALA D 258
LEU D 257
ALA A 158
 None
 1.40A 4xk8B-1dkgA:
0.8		 4xk8B-1dkgA:
13.66
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.
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
 1.23A 4xk8B-1ds9A:
undetectable		 4xk8B-1ds9A:
14.05
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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 ARG A 400
ILE A 425
ALA A 417
LEU A 415
ALA A 412
 None
 1.40A 4xk8B-1ecgA:
undetectable		 4xk8B-1ecgA:
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.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		5 MET A  49
SER A  71
ARG A 202
ILE A 375
LEU A 203
 None
 1.42A 4xk8B-1tg5A:
undetectable		 4xk8B-1tg5A:
19.00
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 TRP A   6
SER A 109
TRP A  96
ALA A  80
LEU A  83
 None
 1.30A 4xk8B-1u0kA:
undetectable		 4xk8B-1u0kA:
18.83
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		5 MET A 176
TRP A  75
ILE A  79
ALA A  61
ALA A  54
 None
 1.49A 4xk8B-2pl5A:
0.0		 4xk8B-2pl5A:
19.65
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
 1.48A 4xk8B-2wsbA:
0.0		 4xk8B-2wsbA:
14.91
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 TRP A 136
ILE A 315
ALA A 398
LEU A 401
ALA A 508
 None
 1.09A 4xk8B-2yikA:
undetectable		 4xk8B-2yikA:
20.31
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.
2ywg GTP-BINDING PROTEIN
LEPA

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ARG A 213
ILE A  78
ALA A  96
LEU A 196
ALA A 195
 None
 1.39A 4xk8B-2ywgA:
undetectable		 4xk8B-2ywgA:
21.46
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.
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
 1.37A 4xk8B-3e8xA:
undetectable		 4xk8B-3e8xA:
14.34
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
 1.46A 4xk8B-3r11A:
undetectable		 4xk8B-3r11A:
19.75
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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 SER A 590
ILE A 499
ALA A 490
LEU A 488
ALA A 456
 None
 1.48A 4xk8B-3vi3A:
undetectable		 4xk8B-3vi3A:
23.43
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
 1.47A 4xk8B-4a2qA:
2.3		 4xk8B-4a2qA:
21.42
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.
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
 1.23A 4xk8B-4dz6A:
undetectable		 4xk8B-4dz6A:
12.08
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
ILE A 133
ALA A 135
LEU A   9
ALA A 142
 None
None
VN4  A1002 (-4.6A)
None
None
 1.33A 4xk8B-4dz6A:
undetectable		 4xk8B-4dz6A:
12.08
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
 1.47A 4xk8B-4k17A:
2.4		 4xk8B-4k17A:
22.26
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.
4l5f HEAVY CHAIN OF E106
ANTIBODY (VH AND CH1
OF IGG2C)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H 103
TRP H  98
ILE H  34
LEU H 100
ALA H  99
 None
 1.42A 4xk8B-4l5fH:
undetectable		 4xk8B-4l5fH:
14.08
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
 1.35A 4xk8B-4qfkH:
undetectable		 4xk8B-4qfkH:
20.92
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 TRP A  76
ILE A  40
ALA A  35
LEU A  36
ALA A  48
 None
None
ACT  A 704 ( 3.7A)
None
None
 1.47A 4xk8B-4qjyA:
2.5		 4xk8B-4qjyA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
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)
 0.63A 4xk8B-4rkuA:
38.7		 4xk8B-4rkuA:
45.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		10 TRP B  22
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  B1238 ( 4.0A)
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)
 0.29A 4xk8B-4rkuB:
48.3		 4xk8B-4rkuB:
98.22
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.
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
 1.49A 4xk8B-4wctA:
undetectable		 4xk8B-4wctA:
19.15
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 TRP A  97
ILE A 311
ALA A  93
LEU A 269
ALA A 159
 None
 1.14A 4xk8B-4zh7A:
4.1		 4xk8B-4zh7A:
21.09
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
 1.35A 4xk8B-5bwiA:
undetectable		 4xk8B-5bwiA:
22.13
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.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 ARG C 291
ILE C 348
ALA C 298
LEU C 299
ALA C 302
 None
 1.14A 4xk8B-5eg6C:
undetectable		 4xk8B-5eg6C:
18.40
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 TRP A  97
ILE A 305
ALA A  93
LEU A 266
ALA A 159
 None
 1.16A 4xk8B-5f9aA:
3.3		 4xk8B-5f9aA:
20.11
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
 1.48A 4xk8B-5ixdA:
undetectable		 4xk8B-5ixdA:
19.79
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.
5jbk BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 MET A 420
SER A 418
ILE A 112
ALA A  70
LEU A  68
 None
 1.19A 4xk8B-5jbkA:
undetectable		 4xk8B-5jbkA:
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 TRP A1598
SER A1095
ARG A1301
ALA A1583
LEU A1584
 None
 1.44A 4xk8B-5lkiA:
undetectable		 4xk8B-5lkiA:
15.49
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 8 TRP 1  49
MET 1 684
SER 1 688
ARG 1 690
TRP 1 693
ILE 1 697
ALA 1 717
LEU 1 718
 CLA  1 840 (-4.7A)
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)
 0.50A 4xk8B-5oy01:
37.3		 4xk8B-5oy01:
7.46
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 10 TRP b  22
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  b1841 ( 4.0A)
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)
 0.40A 4xk8B-5oy0b:
44.7		 4xk8B-5oy0b:
9.48
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.
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
 0.95A 4xk8B-6az1H:
undetectable		 4xk8B-6az1H:
7.80
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.
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)
 0.71A 4xk8B-6fosA:
35.2		 4xk8B-6fosA:
7.90
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 TRP A  46
SER A 685
ARG A 687
TRP A 690
ILE A 694
ALA A 714
LEU A 715
 None
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
None
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.79A 4xk8B-6fosA:
35.2		 4xk8B-6fosA:
7.90
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.
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)
 0.87A 4xk8B-6fosB:
32.7		 4xk8B-6fosB:
10.10
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
SER B 664
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.80A 4xk8B-6fosB:
32.7		 4xk8B-6fosB:
10.10
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
TRP B 665
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
None
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.11A 4xk8B-6fosB:
32.7		 4xk8B-6fosB:
10.10