SIMILAR PATTERNS OF AMINO ACIDS FOR 5HA9_B_TP0B406

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.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		8 ASP A 770
HIS A 862
SER A 864
ASN A 868
ILE A 872
TYR A 896
SER A 904
TYR A 907
 None
BZC  A 201 (-4.0A)
None
None
None
BZC  A 201 (-4.0A)
BZC  A 201 (-3.3A)
BZC  A 201 (-3.6A)
 0.55A 5ha9B-1efyA:
50.7		 5ha9B-1efyA:
86.86
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 298
HIS A 149
ASN A 144
ILE A 307
SER A 155
 None
 1.30A 5ha9B-2e7zA:
undetectable		 5ha9B-2e7zA:
18.06
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A 564
ILE A 574
TYR A 596
SER A 604
TYR A 607
 GAB  A 701 ( 3.7A)
CIT  A 801 (-4.8A)
GAB  A 701 (-4.5A)
GAB  A 701 (-2.8A)
GAB  A 701 (-3.3A)
 0.76A 5ha9B-2pqfA:
16.8		 5ha9B-2pqfA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 HIS A 384
ILE A 394
TYR A 414
SER A 422
TYR A 425
 KU8  A 601 (-4.0A)
None
KU8  A 601 (-4.1A)
KU8  A 601 (-2.9A)
KU8  A 601 (-3.5A)
 0.48A 5ha9B-3c49A:
40.8		 5ha9B-3c49A:
37.06
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.
3hkv POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A 887
ILE A 897
TYR A 919
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
None
3AB  A1025 (-4.4A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.75A 5ha9B-3hkvA:
16.5		 5ha9B-3hkvA:
19.27
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.
3u4t TPR
REPEAT-CONTAINING
PROTEIN

(Cytophaga
hutchinsonii) 		PF07719
(TPR_2) 		5 GLU A 428
ASN A 471
ILE A 472
TYR A 451
TYR A 456
 None
 1.25A 5ha9B-3u4tA:
undetectable		 5ha9B-3u4tA:
20.10
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.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A 152
SER A 154
ASN A 158
ILE A 162
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
None
None
None
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.72A 5ha9B-4f0dA:
11.9		 5ha9B-4f0dA:
25.73
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.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
SER A1033
ILE A1039
TYR A1060
SER A1068
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.2A)
None
1V8  A1201 (-4.7A)
1V8  A1201 (-2.7A)
1V8  A1201 (-3.3A)
 0.66A 5ha9B-4l2kA:
10.1		 5ha9B-4l2kA:
21.08
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A1184
ILE A1192
TYR A1213
SER A1221
TYR A1224
 2XS  A1402 (-4.2A)
2XS  A1402 ( 4.7A)
2XS  A1402 (-4.2A)
None
2XS  A1402 ( 3.9A)
 0.96A 5ha9B-4oa7A:
17.8		 5ha9B-4oa7A:
22.28
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		5 SER A1186
ILE A1192
TYR A1213
SER A1221
TYR A1224
 2XS  A1402 (-3.6A)
2XS  A1402 ( 4.7A)
2XS  A1402 (-4.2A)
None
2XS  A1402 ( 3.9A)
 0.92A 5ha9B-4oa7A:
17.8		 5ha9B-4oa7A:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		6 ASP C 770
SER C 864
ASN C 868
ILE C 872
SER C 904
TYR C 907
 None
None
None
None
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
 0.86A 5ha9B-4oqaC:
46.1		 5ha9B-4oqaC:
86.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		7 HIS C 862
SER C 864
ASN C 868
ILE C 872
TYR C 896
SER C 904
TYR C 907
 2US  C1101 (-3.7A)
None
None
None
2US  C1101 (-4.2A)
2US  C1101 (-3.4A)
2US  C1101 (-3.5A)
 0.47A 5ha9B-4oqaC:
46.1		 5ha9B-4oqaC:
86.03
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.
4xru HEN1

(Capnocytophaga
gingivalis) 		no annotation 5 ASP C 188
HIS C 176
ILE C 187
SER C  72
TYR C  57
 None
 1.40A 5ha9B-4xruC:
undetectable		 5ha9B-4xruC:
22.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		7 HIS A 428
SER A 430
ASN A 434
ILE A 438
TYR A 462
SER A 470
TYR A 473
 D7N  A1584 (-3.6A)
None
None
None
D7N  A1584 (-3.7A)
D7N  A1584 (-2.7A)
D7N  A1584 (-3.8A)
 0.46A 5ha9B-4zzyA:
43.8		 5ha9B-4zzyA:
45.75
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 GLU A 327
ASP A 480
HIS A 295
ASN A 159
ILE A 163
 None
AMP  A 601 ( 4.9A)
None
None
None
 1.47A 5ha9B-5ck7A:
undetectable		 5ha9B-5ck7A:
21.94
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 GLU A 327
ASP A 480
SER A 261
ASN A 159
ILE A 163
 None
AMP  A 601 ( 4.9A)
None
None
None
 1.43A 5ha9B-5ck7A:
undetectable		 5ha9B-5ck7A:
21.94
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		6 HIS A1031
SER A1033
ILE A1039
TYR A1060
SER A1068
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-3.5A)
None
59B  A1203 (-4.3A)
59B  A1203 (-2.8A)
59B  A1203 (-3.3A)
 0.65A 5ha9B-5dczA:
17.4		 5ha9B-5dczA:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		7 HIS A 415
SER A 417
ASN A 421
ILE A 425
TYR A 449
SER A 457
TYR A 460
 UHB  A1001 (-3.7A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.7A)
UHB  A1001 (-4.6A)
UHB  A1001 (-3.8A)
UHB  A1001 (-2.5A)
UHB  A1001 (-3.4A)
 0.53A 5ha9B-5dsyA:
32.8		 5ha9B-5dsyA:
40.17
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.
5lx6 POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A 887
ILE A 897
TYR A 919
SER A 927
TYR A 932
 78P  A1101 (-4.0A)
None
78P  A1101 (-3.7A)
78P  A1101 (-2.8A)
78P  A1101 (-3.8A)
 0.84A 5ha9B-5lx6A:
16.5		 5ha9B-5lx6A:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 8 GLU A 102
ASP A 109
HIS A 201
SER A 203
ASN A 207
ILE A 211
SER A 243
TYR A 246
 8E6  A 401 (-4.2A)
None
8E6  A 401 (-3.5A)
None
None
None
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
 0.80A 5ha9B-5xstA:
49.2		 5ha9B-5xstA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 7 HIS A 201
SER A 203
ASN A 207
ILE A 211
TYR A 235
SER A 243
TYR A 246
 8E6  A 401 (-3.5A)
None
None
None
8E6  A 401 (-4.1A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
 0.51A 5ha9B-5xstA:
49.2		 5ha9B-5xstA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 7 HIS A 862
SER A 864
ASN A 868
ILE A 872
TYR A 896
SER A 904
TYR A 907
 DQV  A1101 (-3.6A)
DQV  A1101 (-2.9A)
DQV  A1101 (-4.2A)
DQV  A1101 (-4.5A)
DQV  A1101 (-3.5A)
DQV  A1101 (-2.7A)
DQV  A1101 (-3.7A)
 0.47A 5ha9B-6bhvA:
35.3		 5ha9B-6bhvA:
31.32