SIMILAR PATTERNS OF AMINO ACIDS FOR 2VPP_B_GEOB1207

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.
1b04 PROTEIN (DNA LIGASE)

(Geobacillus
stearothermophilus) 		PF01653
(DNA_ligase_aden) 		5 GLU A  43
TYR A  20
ARG A   9
ALA A  10
GLU A  36
 None
 1.11A 2vppB-1b04A:
0.0		 2vppB-1b04A:
21.54
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.
1d5y ROB TRANSCRIPTION
FACTOR

(Escherichia
coli) 		PF06445
(GyrI-like)
PF12833
(HTH_18) 		5 VAL A  64
PHE A  96
GLN A  95
ARG A  57
ALA A  56
 None
 1.42A 2vppB-1d5yA:
undetectable		 2vppB-1d5yA:
19.34
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.
1ijx SECRETED
FRIZZLED-RELATED
SEQUENCE PROTEIN 3

(Mus musculus) 		PF01392
(Fz) 		5 MET A  37
TYR A  60
PHE A  40
ALA A  83
PHE A  55
 None
 1.36A 2vppB-1ijxA:
undetectable		 2vppB-1ijxA:
18.97
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.
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
 1.25A 2vppB-1iqpA:
2.0		 2vppB-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.
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)
 1.19A 2vppB-1osnA:
13.6		 2vppB-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)
 0.92A 2vppB-1osnA:
13.6		 2vppB-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)
 0.87A 2vppB-1osnA:
13.6		 2vppB-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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TRP A  88
TYR A 101
GLN A 125
ARG A 163
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
 0.98A 2vppB-1vtkA:
14.3		 2vppB-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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TYR A 101
GLN A 125
ARG A 163
ALA A 168
 TMP  A 500 (-2.7A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 0.95A 2vppB-1vtkA:
14.3		 2vppB-1vtkA:
22.32
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) 		11 ILE A  30
GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
GLU A 197
 DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.3A)
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)
DCZ  A 302 (-3.5A)
 0.62A 2vppB-2a30A:
25.6		 2vppB-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.
2ah6 BH1595, UNKNOWN
CONSERVED PROTEIN

(Bacillus
halodurans) 		PF01923
(Cob_adeno_trans) 		5 ILE A  55
GLU A 104
TYR A 160
ARG A 171
GLU A  58
 None
 1.32A 2vppB-2ah6A:
undetectable		 2vppB-2ah6A:
22.92
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		6 VAL A  33
TYR A  43
GLN A  54
ARG A  78
PHE A  86
GLU A 150
 DCP  A1202 (-4.6A)
None
DCP  A1202 (-2.9A)
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.5A)
 0.75A 2vppB-2jaqA:
20.0		 2vppB-2jaqA:
27.69
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) 		9 ILE A  29
VAL A  54
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
ALA A 110
PHE A 114
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 0.77A 2vppB-2jcsA:
29.9		 2vppB-2jcsA:
99.57
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) 		10 ILE A  29
VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-3.9A)
TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.66A 2vppB-2jcsA:
29.9		 2vppB-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 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
PHE A 151
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
 1.20A 2vppB-2ocpA:
25.9		 2vppB-2ocpA:
33.33
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) 		10 ILE A  47
VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-3.8A)
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
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)
DTP  A 301 (-3.5A)
 0.73A 2vppB-2ocpA:
25.9		 2vppB-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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		5 ILE A 189
MET A  77
TYR A  74
PHE A 203
GLU A 186
 None
 1.38A 2vppB-3cmnA:
undetectable		 2vppB-3cmnA:
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.
3do9 UPF0302 PROTEIN
BA_1542/GBAA1542/BAS
1430

(Bacillus
anthracis) 		PF08858
(IDEAL)
PF08864
(UPF0302) 		5 ILE A  89
VAL A  45
MET A  60
ARG A  56
PHE A  72
 None
 1.35A 2vppB-3do9A:
undetectable		 2vppB-3do9A:
18.97
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.
3f8h PUTATIVE POLYKETIDE
CYCLASE

(Ruegeria sp.
TM1040) 		PF12680
(SnoaL_2) 		5 VAL A  28
MET A  20
TYR A   8
ALA A  46
PHE A  47
 None
MRD  A 135 ( 3.9A)
None
None
None
 1.33A 2vppB-3f8hA:
undetectable		 2vppB-3f8hA:
22.03
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.
3gr3 NITROREDUCTASE

(Bartonella
henselae) 		PF00881
(Nitroreductase) 		5 ILE A 193
VAL A  63
PHE A 127
GLN A 171
ALA A 173
 None
None
None
None
FMN  A 230 ( 3.4A)
 1.32A 2vppB-3gr3A:
undetectable		 2vppB-3gr3A:
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 ILE A 509
GLU A  55
VAL A 441
ARG A  52
PHE A 395
 None
 1.27A 2vppB-3ihgA:
undetectable		 2vppB-3ihgA:
16.36
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.
3ke5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Bacillus cereus) 		PF01923
(Cob_adeno_trans) 		5 ILE A  55
GLU A 102
TYR A 158
ARG A 169
GLU A  58
 None
 1.27A 2vppB-3ke5A:
undetectable		 2vppB-3ke5A:
23.73
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 GLU A 150
VAL A 146
GLN A 126
ALA A 122
PHE A 193
 FE  A1001 ( 2.5A)
None
None
None
MLA  A1004 (-4.1A)
 1.29A 2vppB-3pf7A:
undetectable		 2vppB-3pf7A:
17.28
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.
3qpi CHLORITE DISMUTASE

(Nitrobacter
winogradskyi) 		PF06778
(Chlor_dismutase) 		5 ILE A  88
ARG A 178
ALA A 152
PHE A 155
GLU A 174
 HEM  A1001 ( 4.0A)
None
None
None
None
 1.31A 2vppB-3qpiA:
undetectable		 2vppB-3qpiA:
21.69
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.
3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF02338
(OTU) 		5 GLU A 264
VAL A 262
MET A 252
ARG A 272
GLU A 284
 None
None
None
SEP  A 177 ( 3.1A)
None
 1.34A 2vppB-3tmpA:
undetectable		 2vppB-3tmpA:
22.31
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.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ILE A  68
PHE A 132
GLN A 134
ALA A 312
GLU A  72
 None
None
HIS  A 501 (-3.4A)
HIS  A 501 ( 3.8A)
None
 1.42A 2vppB-4e51A:
undetectable		 2vppB-4e51A:
18.90
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.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		5 ILE A  38
GLU A  69
PHE A  59
ARG A 140
ALA A 139
 None
 1.26A 2vppB-4ijmA:
undetectable		 2vppB-4ijmA:
20.54
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 VAL A 478
GLN A 458
ARG A 464
ALA A 462
GLU A1041
 None
 1.14A 2vppB-5b7iA:
2.0		 2vppB-5b7iA:
12.46
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		5 ILE A 163
TYR A 190
PHE A 180
ALA A 134
GLU A 214
 None
 1.43A 2vppB-5xcyA:
undetectable		 2vppB-5xcyA:
18.48
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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 5 ILE E  81
PHE E 112
GLN E 116
ARG E  72
PHE E  73
 None
 1.16A 2vppB-5xykE:
undetectable		 2vppB-5xykE:
16.30
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ILE O  31
GLU O  53
GLN O  97
ARG O 126
PHE O 134
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-3.5A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
 1.00A 2vppB-6g2jO:
undetectable		 2vppB-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 ILE O  31
GLU O  53
TYR O  83
ARG O 126
PHE O 134
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
 0.87A 2vppB-6g2jO:
undetectable		 2vppB-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.
6h25

() 		no annotation 5 GLU A  49
ARG A  36
ALA A 285
PHE A 284
GLU D  34
 None
 1.15A 2vppB-6h25A:
undetectable		 2vppB-6h25A:
undetectable