SIMILAR PATTERNS OF AMINO ACIDS FOR 4V2G_B_CTCB222

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.
1ev1 ECHOVIRUS 1
ECHOVIRUS 1
ECHOVIRUS 1

(Enterovirus B;
Enterovirus B;
Enterovirus B) 		PF00073
(Rhv)
PF00073
(Rhv)
PF00073
(Rhv) 		5 HIS 2 216
PRO 2 128
VAL 1 249
ILE 3  36
SER 2 207
 None
 1.50A 4v2gB-1ev12:
undetectable		 4v2gB-1ev12:
19.08
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 PHE A 405
PRO A 343
THR A 398
VAL A 419
SER A 412
 None
 1.34A 4v2gB-1gkrA:
undetectable		 4v2gB-1gkrA:
20.00
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.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		5 SER A 298
ASN A 299
PHE A 181
ARG A 276
VAL A 282
 None
 1.47A 4v2gB-1q1lA:
undetectable		 4v2gB-1q1lA:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		10 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
THR A 112
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
None
None
 0.62A 4v2gB-1qpiA:
25.4		 4v2gB-1qpiA:
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.
1t6p PHENYLALANINE
AMMONIA-LYASE

(Rhodotorula
toruloides) 		PF00221
(Lyase_aromatic) 		5 HIS A 344
SER A 339
ARG A 366
VAL A 301
ILE A 332
 None
 1.31A 4v2gB-1t6pA:
1.1		 4v2gB-1t6pA:
15.98
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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.41A 4v2gB-1x25A:
undetectable		 4v2gB-1x25A:
21.23
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 HIS A 211
THR A 160
VAL A 161
GLN A 125
ILE A 122
 ZN  A 401 (-3.4A)
ADE  A1114 ( 4.3A)
None
ADE  A1114 (-3.3A)
None
 1.21A 4v2gB-2icsA:
0.3		 4v2gB-2icsA:
20.39
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.
2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE

(Aneurinibacillus
thermoaerophilus) 		PF16363
(GDP_Man_Dehyd) 		5 ASN A 169
PHE A 168
THR A 242
VAL A 208
SER A 115
 GDD  A 410 (-3.1A)
None
None
None
GDD  A 410 (-2.4A)
 1.43A 4v2gB-2pk3A:
0.0		 4v2gB-2pk3A:
20.68
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 SER A 147
ARG A 366
THR A 376
VAL A 377
ILE A 223
 None
 1.32A 4v2gB-3a1iA:
undetectable		 4v2gB-3a1iA:
18.16
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.
3ayn RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		5 HIS A 319
ASN A  70
PRO A 312
VAL A  55
ILE A  74
 None
 1.49A 4v2gB-3aynA:
2.2		 4v2gB-3aynA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fiw PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 HIS A  63
ASN A  82
PHE A  86
HIS A 100
VAL A 112
 None
 0.87A 4v2gB-3fiwA:
17.3		 4v2gB-3fiwA:
39.13
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.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 ASN A 140
PHE A  99
PRO A 202
THR A  22
VAL A  24
 None
 1.42A 4v2gB-3fkdA:
undetectable		 4v2gB-3fkdA:
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus;
Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ASN A 359
ARG B  46
THR B 118
VAL B 119
SER A 363
 None
 1.36A 4v2gB-3h1lA:
undetectable		 4v2gB-3h1lA:
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.
3j2j PROTEIN VP1
PROTEIN VP3
PROTEIN VP2

(Enterovirus B;
Enterovirus B;
Enterovirus B) 		PF00073
(Rhv)
PF00073
(Rhv)
PF00073
(Rhv) 		5 HIS C 207
PRO C 119
VAL A 187
ILE B  36
SER C 198
 None
 1.38A 4v2gB-3j2jC:
undetectable		 4v2gB-3j2jC:
21.07
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.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 HIS A  95
SER A 148
PRO A 116
THR A 150
VAL A 153
 CIT  A 347 (-4.1A)
CIT  A 347 (-3.6A)
None
CIT  A 347 (-3.2A)
None
 1.41A 4v2gB-3qslA:
undetectable		 4v2gB-3qslA:
24.92
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.18A 4v2gB-3upyA:
undetectable		 4v2gB-3upyA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
GLN A 116
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
MIY  A1204 ( 4.7A)
MIY  A1204 (-2.8A)
 0.80A 4v2gB-4ac0A:
25.8		 4v2gB-4ac0A:
65.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
GLN A 116
 None
 0.78A 4v2gB-4d5cA:
26.3		 4v2gB-4d5cA:
59.81
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 SER A 289
ASN A 291
THR A  29
VAL A  28
GLN A  24
 EDO  A 402 (-2.5A)
None
EDO  A 402 ( 4.7A)
None
None
 1.43A 4v2gB-4ev4A:
undetectable		 4v2gB-4ev4A:
20.14
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 SER M 590
PHE M 406
ARG M 496
THR M 411
ILE M 418
 None
 1.39A 4v2gB-4gq2M:
undetectable		 4v2gB-4gq2M:
12.59
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  93
PHE A 106
HIS A 388
GLN A 140
ILE A 179
 None
 1.44A 4v2gB-4iigA:
undetectable		 4v2gB-4iigA:
13.76
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 HIS A 235
PRO A 191
VAL A 174
GLN A 180
ILE A 179
 None
 1.45A 4v2gB-4nx1A:
undetectable		 4v2gB-4nx1A:
22.66
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 ASN A 493
ARG A 447
PRO A 469
THR A 466
VAL A 467
 None
 1.10A 4v2gB-4qjyA:
undetectable		 4v2gB-4qjyA:
16.19
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.
4ytw MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
35
PROTEIN UPS1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF05254
(UPF0203)
PF04707
(PRELI) 		5 SER B  41
ASN B  43
PRO A  74
THR B  53
VAL B  81
 None
 1.32A 4v2gB-4ytwB:
undetectable		 4v2gB-4ytwB:
20.63
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  94
PHE A 107
HIS A 389
GLN A 141
ILE A 180
 None
 1.43A 4v2gB-5fjjA:
undetectable		 4v2gB-5fjjA:
14.30
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 HIS A 487
SER A 481
VAL A 478
ILE A 143
SER A 148
 None
 1.45A 4v2gB-5fnoA:
undetectable		 4v2gB-5fnoA:
17.00
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.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 ASN A  83
HIS A 214
PRO A 204
VAL A  32
SER A 195
 None
 1.39A 4v2gB-5i32A:
2.0		 4v2gB-5i32A:
21.45
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  93
PHE A 106
HIS A 384
GLN A 140
ILE A 179
 None
 1.44A 4v2gB-5ju6A:
undetectable		 4v2gB-5ju6A:
13.25
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.
5lpc VANADIUM-DEPENDENT
BROMOPEROXIDASE

(Acaryochloris
marina) 		no annotation 5 ARG A 436
PRO A 437
VAL A 177
GLN A 180
ILE A 586
 PO4  A 901 (-3.2A)
None
None
None
None
 1.47A 4v2gB-5lpcA:
undetectable		 4v2gB-5lpcA:
16.49
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.
5mbg BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa sp.
PS) 		PF00211
(Guanylate_cyc) 		5 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
 None
None
IOD  A 403 ( 4.9A)
None
None
 1.30A 4v2gB-5mbgA:
undetectable		 4v2gB-5mbgA:
25.00
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.
5mbh BETA SUBUNIT OF
PHOTOACTIVATED
ADENYLYL CYCLASE

(Beggiatoa sp.
PS) 		PF00211
(Guanylate_cyc)
PF04940
(BLUF) 		5 SER A 249
PHE A 154
THR A 293
ILE A 216
SER A 219
 None
 1.28A 4v2gB-5mbhA:
1.4		 4v2gB-5mbhA:
21.93
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.
5mjv CAPSID SUBUNIT VP3
CAPSID SUBUNIT VP0

(Parechovirus A;
Parechovirus A) 		no annotation
PF00073
(Rhv) 		5 SER B  85
PHE C 201
PRO C 250
THR B  87
ILE B 231
 None
 1.35A 4v2gB-5mjvB:
undetectable		 4v2gB-5mjvB:
20.62
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.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 8 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
THR A 112
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
 0.61A 4v2gB-5mruA:
23.2		 4v2gB-5mruA:
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.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 5 HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
 1.43A 4v2gB-5mruA:
23.2		 4v2gB-5mruA:
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.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 9 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
PRO A 105
THR A 112
GLN A 116
SER A 138
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
None
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.75A 4v2gB-5mruA:
23.2		 4v2gB-5mruA:
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 HIS A 401
HIS A 399
ARG A  76
ILE A 233
SER A 225
 None
None
FMT  A 607 (-3.6A)
None
None
 1.26A 4v2gB-5odoA:
undetectable		 4v2gB-5odoA:
17.42
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 HIS A 588
ASN A 968
PRO A 584
THR A 633
VAL A 634
 None
 1.23A 4v2gB-5xogA:
undetectable		 4v2gB-5xogA:
9.36
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.
6aq7 POM6 FAB HEAVY CHAIN
POM6 FAB LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 ARG L 215
THR L 182
VAL L 136
ILE L 121
SER H 129
 None
 1.50A 4v2gB-6aq7L:
undetectable		 4v2gB-6aq7L:
undetectable