SIMILAR PATTERNS OF AMINO ACIDS FOR 2JJ8_B_AZZB1211

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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 TYR A 495
PHE A 616
VAL A 615
ALA A 320
MET A 561
 None
 1.31A 2jj8B-1h39A:
undetectable		 2jj8B-1h39A:
15.37
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.
1iqp RFCS

(Pyrococcus
furiosus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLU A 237
GLN A 275
ARG A 235
ALA A 234
PHE A 228
 None
 1.29A 2jj8B-1iqpA:
2.1		 2jj8B-1iqpA:
23.38
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 GLU B 482
LEU B 536
GLN B 524
VAL B 502
ALA B 504
 None
 1.47A 2jj8B-1k5sB:
undetectable		 2jj8B-1k5sB:
17.45
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.
1kbz DTDP-GLUCOSE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF04321
(RmlD_sub_bind) 		5 LEU A 246
PHE A 231
VAL A 230
ALA A 163
PHE A 162
 None
 1.47A 2jj8B-1kbzA:
0.3		 2jj8B-1kbzA:
20.81
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
TYR A  66
ALA A 134
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.9A)
BVP  A 500 (-3.7A)
 1.38A 2jj8B-1osnA:
13.4		 2jj8B-1osnA:
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
TYR A  66
ARG A 130
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-2.8A)
BVP  A 500 (-3.7A)
 1.10A 2jj8B-1osnA:
13.4		 2jj8B-1osnA:
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 TRP A  53
TYR A  66
GLN A  90
ARG A 130
PHE A 139
 BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
BVP  A 500 (-3.7A)
 0.98A 2jj8B-1osnA:
13.4		 2jj8B-1osnA:
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 LEU A 153
PHE A  95
VAL A  93
MET A  91
ALA A  69
 None
 1.47A 2jj8B-1qr7A:
undetectable		 2jj8B-1qr7A:
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 GLU A 122
VAL A 187
MET A 189
ARG A 170
ALA A 171
 None
 1.16A 2jj8B-1vcvA:
0.3		 2jj8B-1vcvA:
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		6 GLU A  83
TRP A  88
TYR A 101
GLN A 125
ARG A 163
ALA A 168
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 1.07A 2jj8B-1vtkA:
13.9		 2jj8B-1vtkA:
22.32
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.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF06172
(Cupin_5) 		5 GLU A 196
LEU A 200
PHE A 150
GLN A 112
ALA A  12
 None
 1.46A 2jj8B-1xe7A:
undetectable		 2jj8B-1xe7A:
23.92
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.
1xqb HYPOTHETICAL UPF0066
PROTEIN HI0510

(Haemophilus
influenzae) 		PF01980
(UPF0066) 		5 TYR A 214
PHE A 186
GLN A 189
VAL A  29
MET A 211
 None
 1.39A 2jj8B-1xqbA:
undetectable		 2jj8B-1xqbA:
18.66
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 TRP A 534
LEU A 502
PHE A 530
VAL A 802
ALA A 806
 None
 1.47A 2jj8B-1ygpA:
undetectable		 2jj8B-1ygpA:
14.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 GLU A  53
TRP A  58
LEU A  82
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
 DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
 0.75A 2jj8B-2a30A:
24.0		 2jj8B-2a30A:
32.80
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.
2fbq PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 LEU A 115
PHE A 111
MET A 196
ALA A  97
PHE A  64
 None
 1.39A 2jj8B-2fbqA:
undetectable		 2jj8B-2fbqA:
23.97
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.
2i2r KV
CHANNEL-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 LEU E  94
TYR E  78
PHE E  74
VAL E 106
PHE E 111
 None
 1.28A 2jj8B-2i2rE:
undetectable		 2jj8B-2i2rE:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		11 TRP A  57
LEU A  66
TYR A  70
PHE A  80
GLN A  81
VAL A  84
MET A  88
ARG A 105
ALA A 110
PHE A 114
MET A 118
 None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-4.8A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
None
 0.61A 2jj8B-2jcsA:
30.6		 2jj8B-2jcsA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		7 TRP A  75
LEU A  96
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 None
DTP  A 301 (-4.6A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.79A 2jj8B-2ocpA:
23.9		 2jj8B-2ocpA:
33.33
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLU A 121
LEU A  33
PHE A 130
ARG A 124
ALA A 123
 None
 1.35A 2jj8B-3gjyA:
undetectable		 2jj8B-3gjyA:
18.89
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.
3jcu CHLOROPHYLL A-B
BINDING PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		5 GLU G  65
LEU G 155
TYR G 156
MET G 188
ARG G 185
 CLA  G 602 (-2.7A)
None
CLA  G 610 (-3.9A)
CLA  G 602 ( 3.3A)
CLA  G 602 (-3.2A)
 1.43A 2jj8B-3jcuG:
undetectable		 2jj8B-3jcuG:
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 169
PHE A  74
GLN A  78
VAL A  77
PHE A 160
 None
 1.40A 2jj8B-3l8kA:
undetectable		 2jj8B-3l8kA:
18.85
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A  90
TYR A  51
PHE A  70
VAL A  68
PHE A 179
 None
 1.37A 2jj8B-3ml5A:
undetectable		 2jj8B-3ml5A:
21.65
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.
3u4b CH02 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLU L  17
LEU L 106
PHE L  83
VAL L  78
ALA L  19
 None
 1.16A 2jj8B-3u4bL:
undetectable		 2jj8B-3u4bL:
19.09
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.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A  90
TYR A  51
PHE A  70
VAL A  68
PHE A 178
 None
 1.37A 2jj8B-3uyqA:
undetectable		 2jj8B-3uyqA:
19.92
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 LEU A 233
PHE A 242
VAL A 240
ARG A 272
ALA A 271
 None
 0.96A 2jj8B-3uzuA:
undetectable		 2jj8B-3uzuA:
23.10
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 269
PHE A 270
VAL A  74
ALA A 214
MET A 362
 None
 1.45A 2jj8B-4gr4A:
undetectable		 2jj8B-4gr4A:
17.50
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 LEU A 269
PHE A 270
VAL A  74
ALA A 214
MET A 362
 None
 1.44A 2jj8B-4gr5A:
undetectable		 2jj8B-4gr5A:
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		6 LEU A 156
TYR A 121
PHE A 141
VAL A 139
MET A 137
ALA A 211
 None
 1.26A 2jj8B-4xixA:
undetectable		 2jj8B-4xixA:
19.84
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Homo sapiens) 		PF05889
(SepSecS) 		5 LEU A 282
PHE A 286
VAL A 257
MET A 263
ALA A 129
 None
 1.36A 2jj8B-4zdlA:
undetectable		 2jj8B-4zdlA:
18.92
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.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 GLU A 108
LEU A 101
MET A 160
ARG A 121
ALA A 111
 None
 1.34A 2jj8B-5lj9A:
undetectable		 2jj8B-5lj9A:
23.05
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		5 LEU A 326
PHE A 257
VAL A 310
ALA A 340
PHE A 365
 None
 1.45A 2jj8B-5lmcA:
2.1		 2jj8B-5lmcA:
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		5 TRP A 840
LEU A 142
GLN A 846
VAL A 838
MET A 848
 None
 1.38A 2jj8B-5lohA:
undetectable		 2jj8B-5lohA:
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 GLU A 141
TRP A 488
VAL A 127
ARG A 496
ALA A 495
 None
 1.32A 2jj8B-5uaoA:
undetectable		 2jj8B-5uaoA:
19.07
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 6 GLU O  53
LEU O  79
TYR O  83
ARG O 126
PHE O 134
MET O 138
 ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
None
 1.07A 2jj8B-6g2jO:
undetectable		 2jj8B-6g2jO:
16.53
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 6 GLU O  53
LEU O  79
TYR O  83
GLN O  97
PHE O 134
MET O 138
 ADP  O 401 ( 4.7A)
None
ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
None
 1.23A 2jj8B-6g2jO:
undetectable		 2jj8B-6g2jO:
16.53
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 LEU O  79
TYR O  83
ARG O 104
PHE O 134
MET O 138
 None
ADP  O 401 (-4.9A)
ADP  O 401 (-4.5A)
ADP  O 401 (-3.6A)
None
 1.36A 2jj8B-6g2jO:
undetectable		 2jj8B-6g2jO:
16.53