SIMILAR PATTERNS OF AMINO ACIDS FOR 1KI3_A_PE2A1

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.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		5 HIS A 582
TYR A 412
GLN A 537
TYR A 514
GLU A 410
 FE  A 703 ( 3.3A)
None
None
CO3  A 701 ( 3.8A)
None
 1.30A 1ki3A-1jnfA:
0.0		 1ki3A-1jnfA:
18.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		7 GLU A  48
TRP A  53
ILE A  62
ILE A  65
TYR A  66
GLN A  90
ARG A 143
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.5A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
None
 0.96A 1ki3A-1osnA:
34.4		 1ki3A-1osnA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		6 GLU A  60
TRP A  65
ILE A  74
ILE A  77
TYR A  78
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.4A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-4.2A)
 0.99A 1ki3A-1p75A:
36.9		 1ki3A-1p75A:
38.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		6 TRP A  65
ILE A  74
ILE A  77
TYR A  78
GLN A 102
ARG A 152
 None
T5A  A 501 ( 4.4A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-4.2A)
 1.01A 1ki3A-1p75A:
36.9		 1ki3A-1p75A:
38.74
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		5 GLU A 116
ILE A 145
ILE A 150
ARG A 142
GLU A 146
 None
 1.39A 1ki3A-1qydA:
0.0		 1ki3A-1qydA:
23.61
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.
1suv SEROTRANSFERRIN,
C-LOBE

(Homo sapiens) 		PF00405
(Transferrin) 		5 HIS E 582
TYR E 412
GLN E 537
TYR E 514
GLU E 410
 FE  E 703 ( 3.3A)
None
None
CO3  E 701 ( 3.8A)
None
 1.30A 1ki3A-1suvE:
0.0		 1ki3A-1suvE:
21.24
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.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		5 GLU A 411
ILE A  70
ILE A  36
MET A  86
ARG A  68
 None
 1.48A 1ki3A-1vgqA:
0.0		 1ki3A-1vgqA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 GLU A  83
TRP A  88
ILE A  97
ILE A 100
TYR A 101
MET A 128
TYR A 172
ARG A 176
ARG A 222
GLU A 225
 TMP  A 500 (-2.7A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.79A 1ki3A-1vtkA:
47.5		 1ki3A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 HIS A  58
GLN A 125
TYR A 172
ARG A 176
ARG A 220
 TMP  A 500 (-3.8A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.4A)
 1.41A 1ki3A-1vtkA:
47.5		 1ki3A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 HIS A  58
GLU A  83
TRP A  88
ILE A  97
ILE A 100
TYR A 101
MET A 128
TYR A 172
ARG A 176
GLU A 225
 TMP  A 500 (-3.8A)
TMP  A 500 (-2.7A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.5A)
 0.67A 1ki3A-1vtkA:
47.5		 1ki3A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 HIS A  58
TRP A  88
ILE A  97
ILE A 100
TYR A 101
GLN A 125
MET A 128
TYR A 172
ARG A 176
GLU A 225
 TMP  A 500 (-3.8A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.5A)
 0.73A 1ki3A-1vtkA:
47.5		 1ki3A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 TRP A  88
ILE A  97
ILE A 100
TYR A 101
GLN A 125
MET A 128
TYR A 172
ARG A 176
ARG A 222
GLU A 225
 None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.80A 1ki3A-1vtkA:
47.5		 1ki3A-1vtkA:
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Pyrococcus
abyssi) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		5 ILE C 242
ILE C 254
GLN C 246
ARG C 412
GLU C 258
 None
 1.35A 1ki3A-1zq1C:
0.0		 1ki3A-1zq1C:
18.78
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.
2poz PUTATIVE DEHYDRATASE

(Mesorhizobium
japonicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 307
GLU A 232
TYR A 334
TYR A  41
GLU A 332
 None
 1.42A 1ki3A-2pozA:
0.0		 1ki3A-2pozA:
25.41
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE O 416
TYR O 379
MET O 465
ARG O 371
GLU O 375
 None
 1.46A 1ki3A-2zf5O:
undetectable		 1ki3A-2zf5O:
20.52
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 260
ILE A 177
MET A  59
ARG A  67
GLU A 361
 None
 1.40A 1ki3A-3bjsA:
undetectable		 1ki3A-3bjsA:
21.80
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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 HIS A 202
GLU A 294
ILE A  46
ILE A  53
ARG A  81
 None
 1.17A 1ki3A-3c3vA:
undetectable		 1ki3A-3c3vA:
21.72
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 ILE C 333
ILE C 337
TYR C 334
MET C 352
ARG C 394
 None
 1.41A 1ki3A-3j9uC:
undetectable		 1ki3A-3j9uC:
22.74
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.
3so6 LDL RECEPTOR ADAPTOR
PROTEIN

(Rattus
norvegicus) 		PF00640
(PID) 		5 HIS A 143
ILE A 107
GLN A  85
TYR A  51
GLU A 108
 None
 1.20A 1ki3A-3so6A:
undetectable		 1ki3A-3so6A:
16.01
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		5 HIS A 337
ILE A 287
GLN A  15
TYR A  12
GLU A 288
 None
 1.34A 1ki3A-4berA:
undetectable		 1ki3A-4berA:
19.63
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 ILE A 479
ILE A 525
TYR A 522
MET A 471
GLU A 483
 None
 1.41A 1ki3A-5g5zA:
undetectable		 1ki3A-5g5zA:
18.71