SIMILAR PATTERNS OF AMINO ACIDS FOR 3VRI_A_1KXA301_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  74
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.58A 3vriA-1ed3A:
34.2
3vriC-1ed3A:
undetectable		 3vriA-1ed3A:
74.55
3vriC-1ed3A:
4.35
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.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 TYR A  29
VAL A 184
TYR A 147
ILE A 171
ILE A 153
 ICP  A2001 (-4.2A)
None
None
None
None
 1.35A 3vriA-1g67A:
undetectable
3vriC-1g67A:
undetectable		 3vriA-1g67A:
21.86
3vriC-1g67A:
4.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nez H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, TLA(C)
ALPHA CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
VAL A  97
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.35A 3vriA-1nezA:
28.4
3vriC-1nezA:
undetectable		 3vriA-1nezA:
66.79
3vriC-1nezA:
3.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tmc CLASS I
HISTOCOMPATIBILITY
ANTIGEN (HLA-AW68)

(Homo sapiens) 		PF00129
(MHC_I) 		5 TYR A   9
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.53A 3vriA-1tmcA:
28.7
3vriC-1tmcA:
undetectable		 3vriA-1tmcA:
81.14
3vriC-1tmcA:
16.00
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 VAL A 200
ASP A 188
TYR A 173
ILE A 181
ILE A 148
 None
 1.42A 3vriA-2cndA:
2.0
3vriC-2cndA:
undetectable		 3vriA-2cndA:
20.27
3vriC-2cndA:
7.34
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		5 TYR A 174
VAL A 191
SER A 212
TYR A 210
ILE A 225
 None
 1.09A 3vriA-2jjqA:
undetectable
3vriC-2jjqA:
undetectable		 3vriA-2jjqA:
19.95
3vriC-2jjqA:
2.92
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.
2vnr CPE0329

(Clostridium
perfringens) 		PF08305
(NPCBM) 		5 TYR A 151
VAL A 170
SER A 120
TYR A 198
ILE A 141
 None
 1.31A 3vriA-2vnrA:
undetectable
3vriC-2vnrA:
undetectable		 3vriA-2vnrA:
18.68
3vriC-2vnrA:
4.17
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.
2x5q SSO1986

(Sulfolobus
solfataricus) 		no annotation 5 VAL A 154
TYR A 178
TYR A 162
ILE A  47
ILE A  83
 None
 1.10A 3vriA-2x5qA:
undetectable
3vriC-2x5qA:
undetectable		 3vriA-2x5qA:
19.50
3vriC-2x5qA:
6.48
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 TYR A 559
TYR A 437
VAL A 467
ILE A 659
ILE A 576
 None
 1.47A 3vriA-2yocA:
undetectable
3vriC-2yocA:
undetectable		 3vriA-2yocA:
13.59
3vriC-2yocA:
2.07
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.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		5 TYR A 178
VAL A 121
TYR A 123
TYR A  53
ILE A 183
 None
 1.08A 3vriA-3dtzA:
undetectable
3vriC-3dtzA:
undetectable		 3vriA-3dtzA:
20.34
3vriC-3dtzA:
8.65
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 TYR A 481
VAL A 482
TYR A 383
ILE A 348
ILE A 397
 None
 1.35A 3vriA-3eb7A:
undetectable
3vriC-3eb7A:
undetectable		 3vriA-3eb7A:
17.20
3vriC-3eb7A:
2.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jts MHC CLASS I
MAMU-A*02

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  99
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.78A 3vriA-3jtsA:
32.8
3vriC-3jtsA:
undetectable		 3vriA-3jtsA:
86.96
3vriC-3jtsA:
3.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pwv MHC CLASS I ANTIGEN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A   8
TYR A  98
TYR A 122
ILE A 123
TRP A 146
 None
 0.18A 3vriA-3pwvA:
34.2
3vriC-3pwvA:
undetectable		 3vriA-3pwvA:
79.56
3vriC-3pwvA:
3.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qq3 MHC CLASS I ANTIGEN

(Sus scrofa) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  74
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.24A 3vriA-3qq3A:
34.0
3vriC-3qq3A:
undetectable		 3vriA-3qq3A:
74.55
3vriC-3qq3A:
3.79
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.
3roh LEUCOTOXIN LUKEV

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		5 TYR A 108
VAL A 188
TYR A 172
SER A 174
ILE A 130
 None
 1.07A 3vriA-3rohA:
2.1
3vriC-3rohA:
undetectable		 3vriA-3rohA:
21.94
3vriC-3rohA:
3.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  99
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.34A 3vriA-3rwgA:
33.9
3vriC-3rwgA:
undetectable		 3vriA-3rwgA:
85.51
3vriC-3rwgA:
3.27
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 TYR A  76
ASP A  40
ILE A 327
TRP A 320
ILE A  62
 None
 1.41A 3vriA-3va6A:
undetectable
3vriC-3va6A:
undetectable		 3vriA-3va6A:
16.46
3vriC-3va6A:
2.77
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.
4abk POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 TYR A1220
VAL A1212
TYR A1209
ILE A1224
ILE A1348
 None
 1.35A 3vriA-4abkA:
undetectable
3vriC-4abkA:
undetectable		 3vriA-4abkA:
22.86
3vriC-4abkA:
9.88
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE

(Bacillus
anthracis) 		no annotation 5 VAL B 180
TYR B 136
ASP B 140
SER B 181
ILE B 198
 None
 1.44A 3vriA-4fetB:
undetectable
3vriC-4fetB:
undetectable		 3vriA-4fetB:
22.51
3vriC-4fetB:
5.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  99
ASP A 114
TYR A 123
ILE A 124
TRP A 147
 None
 0.29A 3vriA-4lcyA:
34.5
3vriC-4lcyA:
undetectable		 3vriA-4lcyA:
93.43
3vriC-4lcyA:
4.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A  99
ASP A 114
SER A 116
TYR A 123
ILE A 124
TRP A 147
 None
 0.73A 3vriA-4lcyA:
34.5
3vriC-4lcyA:
undetectable		 3vriA-4lcyA:
93.43
3vriC-4lcyA:
4.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 TYR E  99
TYR E 123
ILE E 124
TRP E 147
ILE E 203
 None
 0.61A 3vriA-4nhuE:
26.4
3vriC-4nhuE:
undetectable		 3vriA-4nhuE:
48.55
3vriC-4nhuE:
6.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 TYR E  99
TYR E 123
ILE E 124
TRP E 147
ILE E 203
 None
 1.21A 3vriA-4nhuE:
26.4
3vriC-4nhuE:
undetectable		 3vriA-4nhuE:
48.55
3vriC-4nhuE:
6.98
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		5 TYR A 140
VAL A 199
TYR A 206
TYR A 210
ILE A 178
 None
 1.32A 3vriA-4qqsA:
undetectable
3vriC-4qqsA:
undetectable		 3vriA-4qqsA:
20.26
3vriC-4qqsA:
2.65
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 TYR A 472
VAL A 394
SER A 352
TYR A 342
ILE A 419
 None
GOL  A 702 ( 4.8A)
None
5SV  A 701 (-4.8A)
None
 1.35A 3vriA-5ey9A:
undetectable
3vriC-5ey9A:
undetectable		 3vriA-5ey9A:
17.14
3vriC-5ey9A:
1.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1n MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 TYR A   9
TYR A  74
TYR A  99
TYR A 123
ILE A 124
TRP A 147
 None
 0.32A 3vriA-5f1nA:
33.9
3vriC-5f1nA:
undetectable		 3vriA-5f1nA:
80.73
3vriC-5f1nA:
7.44
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.
5f1y MCCC FAMILY PROTEIN

(Bacillus cereus) 		PF02016
(Peptidase_S66) 		5 TYR A 283
TYR A 287
SER A 245
TRP A 257
ILE A 217
 None
 1.22A 3vriA-5f1yA:
undetectable
3vriC-5f1yA:
undetectable		 3vriA-5f1yA:
22.83
3vriC-5f1yA:
3.63
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.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		5 VAL A 238
SER A 224
TYR A 131
ILE A 129
ILE A 185
 None
 1.40A 3vriA-5jcvA:
undetectable
3vriC-5jcvA:
undetectable		 3vriA-5jcvA:
20.49
3vriC-5jcvA:
8.74
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.
5k8s CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 TYR A 333
VAL A 398
TYR A 400
TYR A 369
ILE A 390
 None
 1.15A 3vriA-5k8sA:
undetectable
3vriC-5k8sA:
undetectable		 3vriA-5k8sA:
18.84
3vriC-5k8sA:
9.68
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.
5kbf CAMP-DEPENDENT
PROTEIN KINASE
REGULATORY SUBUNIT,
PUTATIVE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 TYR A 333
VAL A 398
TYR A 400
TYR A 369
ILE A 390
 None
 1.22A 3vriA-5kbfA:
undetectable
3vriC-5kbfA:
undetectable		 3vriA-5kbfA:
20.18
3vriC-5kbfA:
3.43
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.
5lii MAJOR CAPSID PROTEIN

(Staphylococcus
phage 812) 		no annotation 5 VAL P 269
ASP P  61
SER P 267
TYR P 218
ILE P  63
 None
 1.49A 3vriA-5liiP:
undetectable
3vriC-5liiP:
undetectable		 3vriA-5liiP:
18.96
3vriC-5liiP:
2.30
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.
5ly6 PNEUMOLYSIN

(Streptococcus
pneumoniae) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 TYR B 242
TYR B 200
VAL B 202
TYR B  71
SER B 203
 None
 1.33A 3vriA-5ly6B:
undetectable
3vriC-5ly6B:
undetectable		 3vriA-5ly6B:
21.40
3vriC-5ly6B:
3.80
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 VAL A 252
TYR A 249
TYR A 107
ILE A 240
ILE A 116
 None
NO3  A 608 (-4.1A)
None
None
EDO  A 604 (-4.6A)
 1.13A 3vriA-5urbA:
undetectable
3vriC-5urbA:
undetectable		 3vriA-5urbA:
20.21
3vriC-5urbA:
1.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xmm MHC CLASS I ANTIGEN
ALPHA CHAIN

(Felis catus) 		no annotation 5 TYR A  10
TYR A 100
TYR A 124
ILE A 125
TRP A 148
 None
 0.28A 3vriA-5xmmA:
34.3
3vriC-5xmmA:
undetectable		 3vriA-5xmmA:
37.08
3vriC-5xmmA:
6.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avf HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-7 ALPHA
CHAIN

(Homo sapiens) 		no annotation 6 TYR H   9
TYR H  99
ASP H 114
TYR H 123
ILE H 124
TRP H 147
 None
 0.56A 3vriA-6avfH:
33.3
3vriC-6avfH:
undetectable		 3vriA-6avfH:
91.07
3vriC-6avfH:
14.63
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 5 TYR A 523
VAL A 466
TYR A 470
ILE A 448
ILE A 530
 None
 1.43A 3vriA-6eomA:
undetectable
3vriC-6eomA:
undetectable		 3vriA-6eomA:
16.83
3vriC-6eomA:
10.39