SIMILAR PATTERNS OF AMINO ACIDS FOR 4I41_A_MIXA500

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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  41
ALA A  54
ILE A  87
ASP A 115
ASP A 153
LYS A 155
ASN A 158
ASP A 171
 ANP  A 400 (-4.1A)
ANP  A 400 (-3.3A)
ANP  A 400 (-4.9A)
ANP  A 400 (-3.4A)
ANP  A 400 ( 4.7A)
ANP  A 400 (-3.5A)
MG  A 401 ( 2.9A)
MG  A 402 (-2.3A)
 0.94A 4i41A-1cm8A:
24.7		 4i41A-1cm8A:
27.35
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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  18
ALA A  31
ASP A  86
ASP A 126
LYS A 128
ASN A 131
LEU A 133
 None
 0.72A 4i41A-1h4lA:
19.3		 4i41A-1h4lA:
28.57
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.
1m2p CASEIN KINASE II,
ALPHA CHAIN

(Zea mays) 		PF00069
(Pkinase) 		7 VAL A  53
ASP A 120
ASP A 156
LYS A 158
ASN A 161
ILE A 174
ASP A 175
 HNA  A 351 (-4.5A)
None
None
None
None
HNA  A 351 (-3.8A)
HNA  A 351 (-3.3A)
 0.71A 4i41A-1m2pA:
25.3		 4i41A-1m2pA:
25.86
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		7 VAL A 172
ALA A 185
ASP A 294
LYS A 296
ASN A 299
LEU A 301
ASP A 550
 ADP  A 810 (-4.1A)
ADP  A 810 (-3.3A)
None
None
MG  A 809 ( 3.0A)
ADP  A 810 (-4.7A)
ADP  A 810 ( 3.0A)
 0.64A 4i41A-1q8yA:
24.7		 4i41A-1q8yA:
26.54
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.
1u5q SERINE/THREONINE
PROTEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		8 VAL A  42
ALA A  55
ILE A  89
ASP A 151
LYS A 153
ASN A 156
LEU A 158
ASP A 169
 None
 0.84A 4i41A-1u5qA:
26.4		 4i41A-1u5qA:
27.20
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  23
ALA A  36
ASP A  94
ASP A 130
LYS A 132
ASN A 135
LEU A 137
ASP A 148
 HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
None
None
None
HYM  A 400 (-4.2A)
HYM  A 400 (-4.5A)
HYM  A 400 (-3.9A)
 0.59A 4i41A-1zltA:
27.6		 4i41A-1zltA:
27.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  27
ALA A  40
ASP A 139
LYS A 141
ASN A 144
ILE A 160
ASP A 161
 None
GOL  A3001 (-3.5A)
None
None
None
GOL  A3001 ( 3.9A)
None
 0.61A 4i41A-2a2aA:
27.3		 4i41A-2a2aA:
30.37
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL X  25
ALA X  37
ASP X  92
ASP X 130
ASN X 135
LEU X 137
ASP X 148
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
None
STU  X 902 ( 4.9A)
STU  X 902 (-4.4A)
STU  X 902 (-3.6A)
 0.63A 4i41A-2dq7X:
25.2		 4i41A-2dq7X:
27.96
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 170
ALA A 184
ASP A 283
LYS A 285
ASN A 288
LEU A 290
ASP A 320
 None
 0.72A 4i41A-2eu9A:
25.1		 4i41A-2eu9A:
25.96
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		9 VAL A  27
ALA A  40
ILE A  72
ASP A  99
ASP A 137
LYS A 139
ASN A 142
LEU A 144
ASP A 155
 ADP  A 500 (-4.3A)
ADP  A 500 ( 3.7A)
None
ADP  A 500 (-3.5A)
None
None
MG  A 600 ( 2.7A)
ADP  A 500 (-4.3A)
ADP  A 500 ( 2.9A)
 0.92A 4i41A-2f9gA:
24.1		 4i41A-2f9gA:
26.20
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.
2gcd SERINE/THREONINE-PRO
TEIN KINASE TAO2

(Rattus
norvegicus) 		PF00069
(Pkinase) 		8 VAL A  42
ALA A  55
ILE A  89
ASP A 151
LYS A 153
ASN A 156
LEU A 158
ASP A 169
 STU  A 400 ( 4.8A)
STU  A 400 (-3.2A)
STU  A 400 ( 4.5A)
None
None
STU  A 400 (-4.4A)
STU  A 400 ( 4.6A)
STU  A 400 (-3.6A)
 0.60A 4i41A-2gcdA:
26.6		 4i41A-2gcdA:
28.57
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.
2i0e PROTEIN KINASE
C-BETA II

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 PHE A 353
VAL A 356
ALA A 369
ASP A 427
ASP A 466
LYS A 468
ASN A 471
ASP A 484
 PDS  A 901 (-4.3A)
PDS  A 901 (-4.2A)
PDS  A 901 (-3.3A)
None
None
None
PDS  A 901 (-4.3A)
PDS  A 901 (-3.6A)
 0.76A 4i41A-2i0eA:
28.2		 4i41A-2i0eA:
25.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		12 PHE A  43
VAL A  46
ALA A  59
ILE A 100
ASP A 124
ASP A 127
ASP A 163
LYS A 165
ASN A 168
LEU A 170
ILE A 181
ASP A 182
 HB1  A1289 (-3.9A)
HB1  A1289 (-3.6A)
HB1  A1289 ( 3.7A)
HB1  A1289 (-4.1A)
HB1  A1289 (-3.6A)
None
None
None
HB1  A1289 ( 4.9A)
HB1  A1289 (-4.7A)
HB1  A1289 (-3.7A)
HB1  A1289 (-4.2A)
 0.61A 4i41A-2iwiA:
36.6		 4i41A-2iwiA:
55.92
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  18
ALA A  31
ASP A  86
ASP A 127
LYS A 129
ASN A 132
LEU A 134
ASP A 145
 None
 0.67A 4i41A-2jgzA:
19.5		 4i41A-2jgzA:
28.66
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		8 VAL A  33
ALA A  46
ILE A  87
ASP A 113
ASP A 149
ASN A 154
LEU A 156
ASP A 167
 ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
None
None
ATP  A 381 ( 4.5A)
MN  A 383 ( 2.7A)
ATP  A 381 ( 4.8A)
MN  A 382 (-2.0A)
 0.79A 4i41A-2phkA:
28.9		 4i41A-2phkA:
29.61
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		8 VAL A  33
ALA A  46
ILE A  87
ASP A 113
ASP A 149
LYS A 151
ASN A 154
LEU A 156
 ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
None
None
ATP  A 381 ( 4.5A)
ATP  A 381 (-3.2A)
MN  A 383 ( 2.7A)
ATP  A 381 ( 4.8A)
 0.79A 4i41A-2phkA:
28.9		 4i41A-2phkA:
29.61
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.
2vd5 DMPK PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  85
ALA A  98
ASP A 155
ASP A 195
ASN A 200
LEU A 202
ASP A 213
 BI8  A1417 ( 4.7A)
BI8  A1417 ( 3.8A)
None
None
BI8  A1417 (-3.6A)
BI8  A1417 (-4.8A)
BI8  A1417 (-3.8A)
 0.75A 4i41A-2vd5A:
26.9		 4i41A-2vd5A:
25.51
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		10 PHE A 495
VAL A 498
ALA A 509
ILE A 557
ASP A 611
ASP A 649
ASN A 654
LEU A 656
ILE A 686
ASP A 687
 None
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.4A)
5ID  A1800 ( 4.5A)
5ID  A1800 (-3.6A)
None
None
5ID  A1800 (-4.5A)
IOD  A1799 (-4.2A)
IOD  A1799 (-4.0A)
 0.84A 4i41A-2vuwA:
17.2		 4i41A-2vuwA:
25.28
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.
2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 120
ALA A 133
ILE A 164
ASP A 227
LYS A 229
ASN A 232
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
EDO  A1377 (-4.4A)
EDO  A1377 ( 4.5A)
None
16X  A1374 (-4.1A)
None
 0.92A 4i41A-2x4fA:
26.4		 4i41A-2x4fA:
24.61
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.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  34
ALA A  47
ASP A 140
LYS A 142
ASN A 145
LEU A 147
ASP A 158
 J60  A1294 ( 4.9A)
J60  A1294 (-3.3A)
None
None
None
J60  A1294 (-4.8A)
J60  A1294 ( 4.6A)
 0.56A 4i41A-2xikA:
29.0		 4i41A-2xikA:
26.54
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.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  38
ALA A  51
ILE A  91
ASP A 117
ASP A 153
LYS A 155
ASN A 158
LEU A 160
 None
B49  A1294 (-3.2A)
B49  A1294 ( 4.6A)
None
None
None
None
B49  A1294 (-4.4A)
 0.86A 4i41A-2y7jA:
29.7		 4i41A-2y7jA:
25.72
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.
2z2w WEE1-LIKE PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 313
ALA A 326
ASP A 386
ASP A 426
LYS A 428
ASN A 431
ASP A 463
 770  A 901 ( 4.7A)
770  A 901 (-3.5A)
None
None
None
None
770  A 901 (-3.8A)
 0.60A 4i41A-2z2wA:
27.1		 4i41A-2z2wA:
25.49
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.
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  76
ALA A  92
ASP A 148
ASP A 187
LYS A 189
ASN A 192
LEU A 194
ASP A 205
 None
STU  A   1 (-3.3A)
STU  A   1 (-3.8A)
None
None
STU  A   1 (-4.3A)
STU  A   1 (-4.6A)
STU  A   1 ( 3.8A)
 0.80A 4i41A-2z7rA:
26.7		 4i41A-2z7rA:
27.93
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  27
ALA A  40
ILE A  77
ASP A 103
ASP A 139
ASN A 144
ILE A 160
ASP A 161
 4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
None
None
None
4RB  A 401 (-3.5A)
GOL  A 503 ( 3.1A)
 0.61A 4i41A-3bqrA:
26.0		 4i41A-3bqrA:
29.73
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  27
ALA A  40
ILE A  77
ASP A 103
ASP A 139
LYS A 141
ASN A 144
ILE A 160
 4RB  A 401 ( 4.4A)
4RB  A 401 (-3.3A)
4RB  A 401 ( 4.3A)
None
None
None
None
4RB  A 401 (-3.5A)
 0.68A 4i41A-3bqrA:
26.0		 4i41A-3bqrA:
29.73
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.
3dak SERINE/THREONINE-PRO
TEIN KINASE OSR1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  31
ALA A  44
ASP A 102
ASP A 146
LYS A 148
ASN A 151
LEU A 153
 ANP  A   1 (-4.5A)
ANP  A   1 ( 3.9A)
None
ANP  A   1 (-4.3A)
ANP  A   1 ( 4.8A)
ANP  A   1 ( 3.4A)
None
 0.70A 4i41A-3dakA:
22.7		 4i41A-3dakA:
26.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A1013
ILE A1065
ASP A1089
ASP A1128
ASN A1133
ILE A1145
ASP A1146
 ADP  A   1 ( 4.5A)
ADP  A   1 (-4.0A)
ADP  A   1 (-3.9A)
None
MG  A   7 ( 3.1A)
ADP  A   1 (-4.0A)
MG  A   8 (-2.3A)
 0.65A 4i41A-3dlsA:
31.4		 4i41A-3dlsA:
31.27
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.
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 PHE A 155
VAL A 158
ALA A 169
ILE A 204
ASP A 268
ASN A 273
LEU A 275
ASP A 294
 VIN  A6331 ( 2.9A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 ( 4.9A)
SO4  A8001 ( 4.8A)
VIN  A6331 ( 4.8A)
VIN  A6331 (-4.5A)
VIN  A6331 (-4.0A)
 0.86A 4i41A-3dtcA:
22.0		 4i41A-3dtcA:
28.34
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.
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 PHE A 155
VAL A 158
ALA A 169
ILE A 204
ASP A 268
LYS A 270
ASN A 273
LEU A 275
 VIN  A6331 ( 2.9A)
VIN  A6331 (-4.7A)
VIN  A6331 (-3.4A)
VIN  A6331 ( 4.9A)
SO4  A8001 ( 4.8A)
SO4  A8001 (-3.0A)
VIN  A6331 ( 4.8A)
VIN  A6331 (-4.5A)
 0.87A 4i41A-3dtcA:
22.0		 4i41A-3dtcA:
28.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		12 PHE A  49
VAL A  52
ALA A  65
ILE A 104
ASP A 128
ASP A 131
ASP A 167
LYS A 169
ASN A 172
LEU A 174
ILE A 185
ASP A 186
 985  A   1 (-4.0A)
985  A   1 (-4.5A)
985  A   1 (-3.5A)
985  A   1 ( 4.7A)
985  A   1 (-4.7A)
None
None
None
985  A   1 (-4.6A)
985  A   1 (-4.8A)
985  A   1 (-3.7A)
985  A   1 ( 4.0A)
 0.67A 4i41A-3f2aA:
44.5		 4i41A-3f2aA:
95.55
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.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  38
ALA A  51
ILE A  84
ASP A 112
ASP A 150
LYS A 152
ASN A 155
 NIL  A   1 ( 4.7A)
NIL  A   1 (-3.7A)
NIL  A   1 (-4.4A)
None
None
None
None
 0.71A 4i41A-3gp0A:
21.4		 4i41A-3gp0A:
26.20
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 ALA A 103
ASP A 162
ASP A 198
LYS A 200
ASN A 203
LEU A 205
ILE A 218
ASP A 219
 ANP  A 610 ( 3.7A)
None
None
None
ANP  A 610 ( 4.9A)
None
ANP  A 610 ( 4.4A)
ANP  A 610 ( 2.7A)
 0.77A 4i41A-3igoA:
21.7		 4i41A-3igoA:
23.47
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 VAL A  90
ALA A 103
ASP A 198
LYS A 200
ASN A 203
LEU A 205
ILE A 218
ASP A 219
 ANP  A 610 (-3.9A)
ANP  A 610 ( 3.7A)
None
None
ANP  A 610 ( 4.9A)
None
ANP  A 610 ( 4.4A)
ANP  A 610 ( 2.7A)
 0.65A 4i41A-3igoA:
21.7		 4i41A-3igoA:
23.47
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.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		7 VAL A 149
ILE A 194
ASP A 260
LYS A 262
ASN A 265
LEU A 267
ILE A 280
 ANP  A   1 (-4.9A)
ANP  A   1 (-4.8A)
None
None
MG  A 399 (-3.0A)
None
ANP  A   1 (-4.2A)
 0.68A 4i41A-3is5A:
19.6		 4i41A-3is5A:
27.48
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		7 ALA A 453
ASP A 544
LYS A 546
ASN A 549
LEU A 551
ILE A 564
ASP A 565
 ANP  A 400 ( 3.8A)
None
ANP  A 400 ( 4.2A)
ANP  A 400 ( 4.4A)
ANP  A 400 (-4.7A)
ANP  A 400 (-3.9A)
None
 0.66A 4i41A-3kn5A:
22.3		 4i41A-3kn5A:
28.49
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 VAL A  76
ALA A  89
ASP A 148
ASP A 184
LYS A 186
ASN A 189
LEU A 191
ASP A 205
 ANP  A 522 (-4.1A)
ANP  A 522 (-3.6A)
None
None
ANP  A 522 ( 4.7A)
MG  A 521 ( 2.9A)
ANP  A 522 (-4.7A)
MG  A 521 ( 3.6A)
 0.62A 4i41A-3lijA:
28.0		 4i41A-3lijA:
21.52
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		8 VAL A 689
ALA A 700
ILE A 729
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.85A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		8 VAL A 689
ILE A 729
ASP A 754
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
None
ADP  A2101 ( 4.9A)
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.93A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
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.
3llt SERINE/THREONINE
KINASE-1, PFLAMMER

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		7 VAL A 566
ALA A 579
ASP A 677
LYS A 679
ASN A 682
LEU A 684
ILE A 719
 ANP  A 877 (-4.1A)
ANP  A 877 ( 3.7A)
ANP  A 877 ( 4.9A)
None
ANP  A 877 ( 4.8A)
None
ANP  A 877 ( 4.3A)
 0.63A 4i41A-3lltA:
24.5		 4i41A-3lltA:
23.39
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  47
ALA A  60
ILE A  94
ASP A 158
LYS A 160
ASN A 163
LEU A 165
 QUE  A   1 ( 4.6A)
QUE  A   1 (-3.2A)
QUE  A   1 (-4.6A)
None
None
None
None
 0.67A 4i41A-3lm5A:
26.8		 4i41A-3lm5A:
24.85
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.
3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  57
ALA A  70
ASP A 166
LYS A 168
ASN A 171
LEU A 173
ASP A 184
 XFE  A 351 ( 4.5A)
XFE  A 351 (-3.2A)
None
None
None
XFE  A 351 (-4.6A)
None
 0.59A 4i41A-3mvjA:
29.0		 4i41A-3mvjA:
25.89
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.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		8 VAL A  37
ALA A  49
ASP A 104
ASP A 144
LYS A 146
ASN A 149
LEU A 151
ASP A 162
 ADP  A 314 (-4.0A)
ADP  A 314 (-3.5A)
ADP  A 314 (-4.1A)
None
None
MG  A 312 ( 2.9A)
ADP  A 314 (-4.6A)
MG  A 312 ( 3.3A)
 0.86A 4i41A-3nizA:
25.5		 4i41A-3nizA:
28.31
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 200
ALA A 213
ASP A 270
ASP A 311
ASN A 316
LEU A 318
ASP A 329
 AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 (-3.6A)
None
AMP  A 577 (-4.2A)
AMP  A 577 (-4.8A)
AMP  A 577 (-4.0A)
 0.66A 4i41A-3nyoA:
27.6		 4i41A-3nyoA:
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.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		7 VAL A 565
ALA A 576
ASP A 676
LYS A 678
ASN A 681
LEU A 683
ASP A 694
 STU  A   1 (-4.9A)
STU  A   1 (-3.3A)
None
None
STU  A   1 (-4.6A)
STU  A   1 (-4.3A)
STU  A   1 (-3.5A)
 0.75A 4i41A-3ppzA:
25.4		 4i41A-3ppzA:
25.15
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 206
ALA A 217
ASP A 322
LYS A 324
ASN A 327
LEU A 329
ASP A 340
 TAK  A   2 ( 4.9A)
TAK  A   2 (-3.5A)
None
EDO  A  18 (-3.0A)
None
TAK  A   2 (-4.6A)
None
 0.71A 4i41A-3q4tA:
23.4		 4i41A-3q4tA:
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 VAL A  71
ALA A  84
ASP A 190
LYS A 192
ASN A 195
LEU A 197
ASP A 211
 ANP  A1634 (-4.1A)
ANP  A1634 (-3.6A)
None
None
CA  A 528 ( 3.0A)
ANP  A1634 (-4.4A)
MG  A 529 (-2.2A)
 0.45A 4i41A-3q5iA:
25.0		 4i41A-3q5iA:
21.83
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.
3qd2 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		7 VAL B 603
ALA B 616
ASP B 896
ASP B 935
LYS B 937
ASN B 940
ASP B 953
 None
 0.70A 4i41A-3qd2B:
24.9		 4i41A-3qd2B:
25.88
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  90
ALA A 103
ASP A 160
ASP A 200
ASN A 205
LEU A 207
ASP A 218
 NM7  A 416 (-3.7A)
NM7  A 416 ( 3.7A)
None
None
None
NM7  A 416 ( 4.2A)
EDO  A 417 (-3.7A)
 0.61A 4i41A-3qfvA:
25.9		 4i41A-3qfvA:
25.51
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  58
ALA A  71
ASP A 166
LYS A 168
ASN A 171
LEU A 173
ASP A 187
 I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
None
None
I85  A 350 (-4.4A)
None
I85  A 350 (-3.3A)
 0.62A 4i41A-3sheA:
22.0		 4i41A-3sheA:
28.30
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 PHE A 366
VAL A 369
ALA A 382
ASP A 440
ASP A 479
ASN A 484
LEU A 486
ASP A 497
 07U  A   1 (-3.7A)
07U  A   1 (-4.8A)
07U  A   1 (-3.3A)
07U  A   1 (-3.9A)
None
None
07U  A   1 (-4.3A)
07U  A   1 (-3.6A)
 0.55A 4i41A-3txoA:
24.9		 4i41A-3txoA:
27.12
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 VAL A  91
ALA A 104
ASP A 161
ASP A 201
LYS A 203
ASN A 206
LEU A 208
ASP A 219
 None
EDO  A1420 (-3.4A)
None
None
None
None
EDO  A1420 ( 4.8A)
None
 0.69A 4i41A-4aw2A:
25.9		 4i41A-4aw2A:
24.04
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.
4cfh 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		9 VAL A  30
ALA A  43
ILE A  77
ASP A 103
ASP A 139
LYS A 141
ASN A 144
LEU A 146
ASP A 157
 None
STU  A1550 (-3.1A)
STU  A1550 ( 4.3A)
None
None
None
STU  A1550 (-4.3A)
STU  A1550 (-4.3A)
STU  A1550 (-3.6A)
 0.63A 4i41A-4cfhA:
29.7		 4i41A-4cfhA:
24.65
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.
4e93 TYROSINE-PROTEIN
KINASE FES/FPS

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		7 VAL A 575
ALA A 588
ASP A 643
ASP A 683
ASN A 688
LEU A 690
ASP A 701
 GUI  A 901 (-4.5A)
GUI  A 901 (-3.4A)
GUI  A 901 ( 4.8A)
None
GUI  A 901 (-4.6A)
GUI  A 901 (-4.3A)
GUI  A 901 ( 4.1A)
 0.71A 4i41A-4e93A:
24.1		 4i41A-4e93A:
26.21
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.
4fr4 SERINE/THREONINE-PRO
TEIN KINASE 32A

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  37
ALA A  50
ASP A 107
ASP A 146
LYS A 148
ASN A 151
LEU A 153
ASP A 164
 STU  A 401 ( 4.9A)
STU  A 401 (-3.2A)
STU  A 401 (-3.3A)
None
None
STU  A 401 ( 4.8A)
STU  A 401 (-4.7A)
STU  A 401 ( 3.9A)
 0.46A 4i41A-4fr4A:
25.3		 4i41A-4fr4A:
21.91
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.
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 414
ALA A 427
ASP A 515
LYS A 517
ASN A 520
LEU A 522
ASP A 534
 T28  A 701 (-4.7A)
T28  A 701 (-3.0A)
None
None
T28  A 701 ( 4.9A)
T28  A 701 (-3.9A)
T28  A 701 ( 3.4A)
 0.66A 4i41A-4idtA:
25.2		 4i41A-4idtA:
25.56
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A  50
ALA A  61
ASP A 156
LYS A 158
ASN A 161
LEU A 163
ASP A 175
 1UL  A 501 ( 4.9A)
1UL  A 501 (-3.1A)
None
None
None
1UL  A 501 (-4.3A)
1UL  A 501 (-4.2A)
 0.73A 4i41A-4l52A:
16.4		 4i41A-4l52A:
27.68
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		8 VAL A 205
ALA A 218
ASP A 278
ASP A 317
LYS A 319
ASN A 322
LEU A 324
ASP A 335
 29X  A 702 (-4.7A)
29X  A 702 (-3.1A)
29X  A 702 ( 4.8A)
None
None
29X  A 702 ( 4.7A)
29X  A 702 (-4.6A)
29X  A 702 (-4.4A)
 0.92A 4i41A-4mk0A:
18.2		 4i41A-4mk0A:
17.86
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		7 VAL A  86
ALA A  99
ASP A 192
ASN A 197
LEU A 199
ILE A 212
ASP A 213
 STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
None
None
STU  A 601 (-4.7A)
STU  A 601 (-4.3A)
STU  A 601 (-4.3A)
 0.60A 4i41A-4mvfA:
23.6		 4i41A-4mvfA:
20.74
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL B  38
ALA B  51
ASP B 144
LYS B 146
ASN B 149
LEU B 151
ASP B 162
 ADP  B 500 (-4.5A)
ADP  B 500 (-3.3A)
None
None
MN  B 501 ( 3.1A)
ADP  B 500 (-4.7A)
ADP  B 500 ( 3.4A)
 0.73A 4i41A-4o27B:
22.2		 4i41A-4o27B:
25.93
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 VAL A 635
ALA A 648
ASP A 708
ASP A 746
LYS A 748
ASN A 751
LEU A 753
ASP A 764
 None
 0.79A 4i41A-4otdA:
29.1		 4i41A-4otdA:
27.33
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 PHE A 391
VAL A 394
ALA A 407
ASP A 465
ASP A 504
LYS A 506
ASN A 509
LEU A 511
 PZW  A 801 (-3.7A)
PZW  A 801 (-4.6A)
PZW  A 801 (-3.5A)
None
None
None
PZW  A 801 (-4.4A)
PZW  A 801 (-4.8A)
 0.72A 4i41A-4q9zA:
28.0		 4i41A-4q9zA:
25.79
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		8 VAL A  35
ALA A  49
ILE A  83
ASP A 110
ASP A 149
ASN A 154
LEU A 156
ASP A 167
 ANP  A 402 (-4.3A)
ANP  A 402 (-3.3A)
ANP  A 402 (-4.8A)
ANP  A 402 (-3.4A)
None
MG  A 401 ( 2.7A)
ANP  A 402 (-4.6A)
ANP  A 402 ( 2.6A)
 0.76A 4i41A-4qnyA:
24.6		 4i41A-4qnyA:
27.90
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  56
ALA A  69
ILE A 101
ASP A 128
ASP A 166
LYS A 168
ASN A 171
LEU A 173
 None
38Z  A 418 (-3.4A)
38Z  A 418 ( 4.9A)
EDO  A 413 (-2.9A)
None
EDO  A 405 ( 4.3A)
None
38Z  A 418 (-4.4A)
 0.81A 4i41A-4qtbA:
25.5		 4i41A-4qtbA:
25.74
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  56
ILE A 101
ASP A 128
ASP A 166
LYS A 168
ASN A 171
LEU A 173
ASP A 184
 None
38Z  A 418 ( 4.9A)
EDO  A 413 (-2.9A)
None
EDO  A 405 ( 4.3A)
None
38Z  A 418 (-4.4A)
38Z  A 418 (-3.5A)
 0.78A 4i41A-4qtbA:
25.5		 4i41A-4qtbA:
25.74
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.
4ra4 PROTEIN KINASE C

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		8 PHE A 350
VAL A 353
ALA A 366
ASP A 424
ASP A 463
LYS A 465
ASN A 468
ASP A 481
 3KZ  A 701 (-3.9A)
3KZ  A 701 (-3.9A)
3KZ  A 701 (-3.4A)
None
None
None
3KZ  A 701 (-4.1A)
3KZ  A 701 (-2.9A)
 1.00A 4i41A-4ra4A:
28.1		 4i41A-4ra4A:
26.83
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		8 ALA A  45
ILE A  79
ASP A 105
ASP A 141
LYS A 143
ASN A 146
LEU A 148
ASP A 159
 STU  A 601 (-3.2A)
STU  A 601 ( 4.6A)
None
None
None
STU  A 601 (-4.2A)
STU  A 601 (-4.2A)
STU  A 601 (-3.7A)
 0.69A 4i41A-4rewA:
29.5		 4i41A-4rewA:
19.53
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		8 VAL A  32
ALA A  45
ILE A  79
ASP A 105
ASP A 141
ASN A 146
LEU A 148
ASP A 159
 STU  A 601 ( 4.8A)
STU  A 601 (-3.2A)
STU  A 601 ( 4.6A)
None
None
STU  A 601 (-4.2A)
STU  A 601 (-4.2A)
STU  A 601 (-3.7A)
 0.53A 4i41A-4rewA:
29.5		 4i41A-4rewA:
19.53
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.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 158
ALA A 169
ILE A 204
ASP A 268
LYS A 270
ASN A 273
LEU A 275
 None
 0.63A 4i41A-4uy9A:
20.7		 4i41A-4uy9A:
27.95
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.
4uya MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLK4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 138
ALA A 149
ILE A 184
ASP A 263
ASN A 268
LEU A 270
ASP A 289
 AGS  A1438 (-4.4A)
AGS  A1438 (-3.4A)
AGS  A1438 (-4.2A)
AGS  A1438 (-3.7A)
MG  A1439 ( 3.0A)
AGS  A1438 (-4.7A)
AGS  A1438 (-2.7A)
 0.73A 4i41A-4uyaA:
20.4		 4i41A-4uyaA:
26.36
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		7 VAL A 201
ALA A 214
ASP A 271
ASP A 314
LYS A 316
ASN A 319
ASP A 332
 None
ANW  A 601 (-3.4A)
None
None
None
None
None
 0.63A 4i41A-4wboA:
27.5		 4i41A-4wboA:
18.98
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.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		8 VAL A  37
ALA A  50
ILE A  82
ASP A 109
ASP A 147
LYS A 149
ASN A 152
LEU A 154
 None
42A  A 402 (-3.2A)
None
None
None
None
None
42A  A 402 ( 4.9A)
 1.05A 4i41A-4xrlA:
25.1		 4i41A-4xrlA:
25.47
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		8 VAL A 201
ALA A 214
ASP A 271
ASP A 312
LYS A 314
ASN A 317
LEU A 319
ASP A 330
 AN2  A 601 (-4.0A)
AN2  A 601 (-3.6A)
None
None
None
None
None
AN2  A 601 (-3.0A)
 0.91A 4i41A-4yhjA:
25.0		 4i41A-4yhjA:
20.42
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 VAL A  42
ALA A  55
ASP A 115
ASP A 151
ASN A 156
LEU A 158
ILE A 171
ASP A 172
 ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
None
MG  A 505 ( 2.7A)
ADP  A 506 (-4.7A)
ADP  A 506 (-4.5A)
ADP  A 506 ( 2.4A)
 0.58A 4i41A-4ysjA:
29.5		 4i41A-4ysjA:
20.12
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 VAL A  42
ALA A  55
ASP A 115
ASP A 151
LYS A 153
ASN A 156
LEU A 158
ILE A 171
 ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
None
None
None
MG  A 505 ( 2.7A)
ADP  A 506 (-4.7A)
ADP  A 506 (-4.5A)
 0.57A 4i41A-4ysjA:
29.5		 4i41A-4ysjA:
20.12
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.
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  30
ALA A  44
ASP A  99
ASP A 102
ASP A 138
LYS A 140
ASN A 143
LEU A 145
 51W  A 401 ( 4.3A)
51W  A 401 (-3.4A)
51W  A 401 (-3.8A)
None
None
None
GOL  A 404 ( 4.6A)
51W  A 401 (-4.5A)
 0.52A 4i41A-5ci7A:
27.8		 4i41A-5ci7A:
28.01
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 258
ALA A 275
ASP A 379
LYS A 381
ASN A 384
LEU A 386
ASP A 397
 STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
None
None
STU  A 601 ( 4.9A)
STU  A 601 (-3.9A)
STU  A 601 (-3.0A)
 0.73A 4i41A-5e8yA:
16.7		 4i41A-5e8yA:
25.60
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.
5es1 MAP/MICROTUBULE
AFFINITY-REGULATING
KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		7 VAL A  70
ALA A  83
ASP A 142
ASP A 178
ASN A 183
LEU A 185
ASP A 196
 5RC  A4000 (-4.6A)
5RC  A4000 (-3.6A)
None
None
5RC  A4000 (-4.1A)
None
5RC  A4000 (-3.6A)
 0.66A 4i41A-5es1A:
26.8		 4i41A-5es1A:
28.15
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		8 VAL A 548
ALA A 561
ILE A 595
ASP A 657
ASN A 662
LEU A 664
ILE A 674
ASP A 675
 4ZS  A 901 (-4.8A)
4ZS  A 901 ( 3.8A)
4ZS  A 901 (-4.3A)
None
None
4ZS  A 901 (-3.6A)
4ZS  A 901 (-3.9A)
None
 0.78A 4i41A-5ezrA:
25.3		 4i41A-5ezrA:
17.27
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		8 VAL A 548
ALA A 561
ILE A 595
ASP A 657
LYS A 659
ASN A 662
LEU A 664
ILE A 674
 4ZS  A 901 (-4.8A)
4ZS  A 901 ( 3.8A)
4ZS  A 901 (-4.3A)
None
None
None
4ZS  A 901 (-3.6A)
4ZS  A 901 (-3.9A)
 0.82A 4i41A-5ezrA:
25.3		 4i41A-5ezrA:
17.27
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.
5hes MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A  30
ALA A  43
ILE A  66
ASP A  92
ASP A 133
ASN A 138
ASP A 151
 032  A 401 (-4.4A)
032  A 401 (-3.2A)
032  A 401 (-4.4A)
032  A 401 (-4.3A)
None
None
032  A 401 (-4.6A)
 0.71A 4i41A-5hesA:
20.6		 4i41A-5hesA:
23.58
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  35
ALA A  50
ILE A  79
ASP A 103
ASP A 151
ASN A 156
LEU A 158
ASP A 173
 6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 (-4.2A)
6A7  A 401 ( 4.9A)
FMT  A 403 (-3.9A)
FMT  A 403 ( 4.7A)
6A7  A 401 (-4.8A)
FMT  A 403 ( 3.3A)
 1.00A 4i41A-5idnA:
24.7		 4i41A-5idnA:
24.93
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  35
ALA A  50
ILE A  79
ASP A 103
ASP A 151
LYS A 153
ASN A 156
LEU A 158
 6A7  A 401 ( 4.5A)
6A7  A 401 (-3.3A)
6A7  A 401 (-4.2A)
6A7  A 401 ( 4.9A)
FMT  A 403 (-3.9A)
FMT  A 403 ( 4.1A)
FMT  A 403 ( 4.7A)
6A7  A 401 (-4.8A)
 1.12A 4i41A-5idnA:
24.7		 4i41A-5idnA:
24.93
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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		9 VAL A  30
ALA A  43
ILE A  77
ASP A 103
ASP A 139
LYS A 141
ASN A 144
LEU A 146
ASP A 157
 STU  A 601 (-4.8A)
STU  A 601 (-3.3A)
STU  A 601 ( 4.3A)
None
None
None
STU  A 601 (-4.3A)
STU  A 601 (-4.5A)
STU  A 601 (-3.5A)
 0.69A 4i41A-5isoA:
29.7		 4i41A-5isoA:
20.55
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  30
ALA A  43
ASP A 136
LYS A 138
ASN A 141
LEU A 143
ASP A 154
 6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
None
None
None
6G2  A 901 (-4.7A)
6G2  A 901 (-3.4A)
 0.58A 4i41A-5j5tA:
23.4		 4i41A-5j5tA:
22.33
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.
5jzn SERINE/THREONINE-PRO
TEIN KINASE DCLK1

(Homo sapiens) 		PF00069
(Pkinase) 		9 VAL A 404
ALA A 417
ASP A 472
ASP A 475
ASP A 511
LYS A 513
ASN A 516
LEU A 518
ASP A 533
 GUI  A 701 (-4.4A)
GUI  A 701 ( 3.9A)
None
GUI  A 701 (-4.1A)
None
None
GUI  A 701 (-4.4A)
GUI  A 701 (-4.4A)
GUI  A 701 ( 4.8A)
 0.53A 4i41A-5jznA:
29.0		 4i41A-5jznA:
29.45
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.
5loh SERINE/THREONINE-PRO
TEIN KINASE
GREATWALL,SERINE/THR
EONINE-PROTEIN
KINASE GREATWALL

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  49
ALA A  60
ASP A 117
ASP A 156
LYS A 158
ASN A 161
LEU A 163
ASP A 174
 None
STU  A 901 (-3.3A)
STU  A 901 (-4.2A)
None
None
STU  A 901 ( 4.8A)
STU  A 901 (-4.5A)
STU  A 901 (-4.1A)
 0.58A 4i41A-5lohA:
21.9		 4i41A-5lohA:
28.25
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		9 PHE A 160
VAL A 163
ALA A 176
ILE A 212
ASP A 275
ASN A 280
LEU A 282
ILE A 294
ASP A 295
 7A7  A 501 (-4.3A)
7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-4.8A)
None
7A7  A 501 ( 4.8A)
7A7  A 501 (-4.9A)
7A7  A 501 (-4.2A)
7A7  A 501 (-3.2A)
 0.93A 4i41A-5lxdA:
24.6		 4i41A-5lxdA:
23.32
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		9 PHE A 160
VAL A 163
ALA A 176
ILE A 212
ASP A 275
LYS A 277
ASN A 280
ILE A 294
ASP A 295
 7A7  A 501 (-4.3A)
7A7  A 501 (-4.4A)
7A7  A 501 (-3.5A)
7A7  A 501 (-4.8A)
None
7A7  A 501 ( 4.3A)
7A7  A 501 ( 4.8A)
7A7  A 501 (-4.2A)
7A7  A 501 (-3.2A)
 0.96A 4i41A-5lxdA:
24.6		 4i41A-5lxdA:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 12 PHE A  49
VAL A  52
ALA A  65
ILE A 104
ASP A 128
ASP A 131
ASP A 167
LYS A 169
ASN A 172
LEU A 174
ILE A 185
ASP A 186
 7LK  A 401 ( 4.4A)
7LK  A 401 (-4.9A)
7LK  A 401 (-3.3A)
7LK  A 401 (-4.8A)
7LK  A 401 ( 3.9A)
7LK  A 401 (-3.0A)
None
None
None
7LK  A 401 (-4.8A)
7LK  A 401 ( 4.3A)
None
 0.59A 4i41A-5turA:
44.2		 4i41A-5turA:
70.71
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.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 9 VAL A  25
ALA A  38
ASP A  96
ASP A 132
LYS A 134
ASN A 137
LEU A 139
ILE A 149
ASP A 150
 7LV  A 401 ( 4.6A)
7LV  A 401 (-3.4A)
None
None
None
None
7LV  A 401 (-4.9A)
7LV  A 401 (-3.6A)
7LV  A 401 (-4.2A)
 0.77A 4i41A-5tvtA:
27.7		 4i41A-5tvtA:
29.48
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.
5u7q RHO-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 106
ALA A 119
ASP A 176
ASP A 214
LYS A 216
ASN A 219
LEU A 221
ASP A 232
 None
 0.69A 4i41A-5u7qA:
25.4		 4i41A-5u7qA:
26.29
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.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		8 VAL A 205
ALA A 218
ASP A 278
ASP A 317
LYS A 319
ASN A 322
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
None
None
None
None
QRW  A 601 (-3.7A)
 0.69A 4i41A-5uuuA:
28.2		 4i41A-5uuuA:
21.57
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 7 VAL A 694
ALA A 707
ASP A 803
LYS A 805
ASN A 808
LEU A 810
ASP A 822
 9E1  A1001 ( 4.0A)
9E1  A1001 (-3.5A)
None
None
9E1  A1001 ( 4.0A)
9E1  A1001 (-4.5A)
9E1  A1001 (-3.6A)
 0.66A 4i41A-5vilA:
26.5		 4i41A-5vilA:
15.25
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.
5xvu CASEIN KINASE 2,
ALPHA SUBUNIT

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		7 VAL A  57
ALA A  70
ILE A  99
ASP A 160
LYS A 162
ASN A 165
ILE A 178
 ATP  A 403 (-3.9A)
ATP  A 403 (-3.4A)
ATP  A 403 (-4.9A)
None
None
ATP  A 403 ( 4.7A)
ATP  A 403 ( 4.5A)
 0.69A 4i41A-5xvuA:
24.6		 4i41A-5xvuA:
24.93
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.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 11 PHE A 220
VAL A 223
ALA A 236
ILE A 272
ASP A 294
ASP A 335
LYS A 337
ASN A 340
LEU A 342
ILE A 354
ASP A 355
 HRM  A 601 ( 4.1A)
HRM  A 601 ( 4.9A)
HRM  A 601 (-3.5A)
HRM  A 601 ( 4.8A)
None
None
PO4  A 602 (-3.5A)
None
None
HRM  A 601 (-3.7A)
HRM  A 601 (-4.7A)
 0.74A 4i41A-5y86A:
24.8		 4i41A-5y86A:
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.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo sapiens) 		no annotation 7 VAL A 142
ALA A 155
ASP A 275
LYS A 277
ASN A 280
LEU A 282
ASP A 293
 H1N  A 501 (-4.4A)
H1N  A 501 (-3.4A)
None
None
H1N  A 501 (-4.5A)
H1N  A 501 (-4.8A)
H1N  A 501 (-3.5A)
 0.63A 4i41A-6ccfA:
28.8		 4i41A-6ccfA:
13.41
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 7 VAL A 179
ALA A 192
ASP A 312
LYS A 314
ASN A 317
LEU A 319
ASP A 330
 F6J  A 501 (-4.6A)
F6J  A 501 (-3.4A)
None
None
F6J  A 501 ( 4.7A)
F6J  A 501 (-4.5A)
F6J  A 501 (-3.8A)
 0.67A 4i41A-6cmjA:
22.4		 4i41A-6cmjA:
13.45
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.
6fdy -

(-) 		no annotation 7 ALA U  42
ASP U  98
ASP U 137
LYS U 139
ASN U 142
LEU U 144
ASP U 157
 DB8  U 301 (-3.6A)
None
None
None
DB8  U 301 (-4.5A)
DB8  U 301 (-4.8A)
DB8  U 301 (-3.6A)
 0.59A 4i41A-6fdyU:
27.6		 4i41A-6fdyU:
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.
6fdy -

(-) 		no annotation 7 VAL U  28
ALA U  42
ASP U  98
ASP U 137
LYS U 139
ASN U 142
LEU U 144
 DB8  U 301 ( 4.8A)
DB8  U 301 (-3.6A)
None
None
None
DB8  U 301 (-4.5A)
DB8  U 301 (-4.8A)
 0.74A 4i41A-6fdyU:
27.6		 4i41A-6fdyU:
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 7 VAL A 177
ALA A 191
ASP A 290
LYS A 292
ASN A 295
LEU A 297
ASP A 327
 3NG  A 501 ( 4.4A)
3NG  A 501 (-3.3A)
None
None
None
None
3NG  A 501 (-4.5A)
 0.64A 4i41A-6fylA:
25.4		 4i41A-6fylA:
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.
1a2z PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermococcus
litoralis) 		PF01470
(Peptidase_C15) 		4 LEU A  68
LEU A   5
GLN A  22
GLU A  10
 None
 1.11A 4i41A-1a2zA:
undetectable		 4i41A-1a2zA:
22.84
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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)

(Saccharomyces
cerevisiae) 		PF01088
(Peptidase_C12) 		4 LEU A  39
LEU A 229
GLN A 204
GLU A 179
 None
 1.21A 4i41A-1cmxA:
undetectable		 4i41A-1cmxA:
21.40
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.
1d2z DEATH DOMAIN OF TUBE

(Drosophila
melanogaster) 		PF14786
(Death_2) 		4 LEU B  33
LEU B 135
GLN B 111
GLU B 116
 None
 0.82A 4i41A-1d2zB:
undetectable		 4i41A-1d2zB:
20.66
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 LEU A 207
LEU A  91
GLN A 198
GLU A 201
 None
 1.21A 4i41A-1e25A:
0.0		 4i41A-1e25A:
23.29
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.
1f51 SPORULATION
INITIATION
PHOSPHOTRANSFERASE B
SPORULATION
INITIATION
PHOSPHOTRANSFERASE F

(Bacillus
subtilis) 		PF00072
(Response_reg)
PF14682
(SPOB_ab)
PF14689
(SPOB_a) 		4 LEU E1218
LEU A  43
GLN E1212
GLU A  57
 None
None
MG  E2001 (-4.1A)
None
 1.24A 4i41A-1f51E:
undetectable		 4i41A-1f51E:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 LEU A 255
LEU A 212
GLN A 496
GLU A 169
 None
 1.14A 4i41A-1iwpA:
0.0		 4i41A-1iwpA:
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 LEU A   8
LEU A  14
GLN A  26
GLU A  30
 None
 1.11A 4i41A-1ixkA:
0.0		 4i41A-1ixkA:
26.22
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 LEU A  73
LEU A  10
GLN A 256
GLU A  79
 None
 1.19A 4i41A-1k72A:
0.0		 4i41A-1k72A:
19.01
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.
1ll2 GLYCOGENIN-1

(Oryctolagus
cuniculus) 		PF01501
(Glyco_transf_8) 		4 LEU A  92
LEU A   9
GLN A   4
GLU A 119
 None
UPG  A 334 (-4.2A)
None
None
 1.21A 4i41A-1ll2A:
0.0		 4i41A-1ll2A:
22.41
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.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU A 168
LEU A 212
GLN A 161
GLU B  49
 None
None
None
SO4  A1302 ( 4.9A)
 1.06A 4i41A-1mu2A:
undetectable		 4i41A-1mu2A:
19.20
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 LEU A 457
LEU A 462
GLN A 166
GLU A 161
 None
 1.27A 4i41A-1ndfA:
undetectable		 4i41A-1ndfA:
18.29
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 153
LEU A 198
GLN A 139
GLU A 335
 None
 1.26A 4i41A-1qf7A:
1.1		 4i41A-1qf7A:
16.44
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.
1ted PKS18

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A 352
LEU A 182
GLN A 336
GLU A 357
 LEU  A 352 ( 0.6A)
LEU  A 182 ( 0.6A)
GLN  A 336 ( 0.6A)
GLU  A 357 ( 0.6A)
 1.21A 4i41A-1tedA:
undetectable		 4i41A-1tedA:
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 LEU A 365
LEU A  82
GLN A 466
GLU A 286
 None
 1.23A 4i41A-1u8vA:
undetectable		 4i41A-1u8vA:
19.72
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 LEU A 148
LEU A  98
GLN A 142
GLU A 210
 None
 1.25A 4i41A-1v5cA:
undetectable		 4i41A-1v5cA:
18.07
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.
1xeu INTERNALIN C

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 118
LEU A  90
GLN A  78
GLU A 123
 None
 1.26A 4i41A-1xeuA:
undetectable		 4i41A-1xeuA:
24.18
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.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 153
LEU A 198
GLN A 139
GLU E 335
 None
 1.27A 4i41A-1ye9A:
1.5		 4i41A-1ye9A:
21.89
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.
1yx1 HYPOTHETICAL PROTEIN
PA2260

(Pseudomonas
aeruginosa) 		PF01261
(AP_endonuc_2) 		4 LEU A 115
LEU A 106
GLN A 125
GLU A 150
 None
 1.19A 4i41A-1yx1A:
undetectable		 4i41A-1yx1A:
23.12
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		4 LEU A 110
LEU A 105
GLN A 218
GLU A 123
 None
None
TYR  A 888 (-3.3A)
None
 1.15A 4i41A-2amcA:
undetectable		 4i41A-2amcA:
23.29
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.
2bb6 TRANSCOBALAMIN II

(Bos taurus) 		PF01122
(Cobalamin_bind) 		4 LEU A  20
LEU A 277
GLN A  46
GLU A  14
 None
 1.11A 4i41A-2bb6A:
undetectable		 4i41A-2bb6A:
19.14
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.
2brf BIFUNCTIONAL
POLYNUCLEOTIDE
PHOSPHATASE/KINASE

(Homo sapiens) 		no annotation 4 LEU A  31
LEU A  10
GLN A  50
GLU A  84
 None
 1.10A 4i41A-2brfA:
undetectable		 4i41A-2brfA:
17.88
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 LEU A 351
LEU A 375
GLN A 347
GLU A 341
 None
 1.27A 4i41A-2c0lA:
undetectable		 4i41A-2c0lA:
21.90
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.
2db1 HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F

(Mus musculus) 		PF00076
(RRM_1) 		4 LEU A  15
LEU A  71
GLN A  28
GLU A  60
 None
 1.12A 4i41A-2db1A:
undetectable		 4i41A-2db1A:
19.69
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 LEU A 503
LEU A 528
GLN A 498
GLU A 467
 None
None
UNL  A1004 ( 4.2A)
None
 1.24A 4i41A-2h88A:
undetectable		 4i41A-2h88A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  38
LEU A 116
GLN A 123
GLU A 167
 HB1  A1289 ( 4.1A)
HB1  A1289 (-3.1A)
None
HB1  A1289 (-3.7A)
 0.75A 4i41A-2iwiA:
36.6		 4i41A-2iwiA:
55.92
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.
2kfy HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F

(Homo sapiens) 		no annotation 4 LEU A  15
LEU A  71
GLN A  28
GLU A  60
 None
 1.04A 4i41A-2kfyA:
undetectable		 4i41A-2kfyA:
19.78
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.
2p17 PIRIN-LIKE PROTEIN

(Geobacillus
kaustophilus) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		4 LEU A  28
LEU A 192
GLN A 113
GLU A  44
 None
 1.22A 4i41A-2p17A:
undetectable		 4i41A-2p17A:
21.74
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.
2q5e CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 2

(Homo sapiens) 		PF03031
(NIF) 		4 LEU A 216
LEU A 150
GLN A 234
GLU A 110
 None
 1.08A 4i41A-2q5eA:
undetectable		 4i41A-2q5eA:
21.53
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 LEU A 178
LEU A 139
GLN A  91
GLU A 120
 None
 0.97A 4i41A-2wnwA:
1.4		 4i41A-2wnwA:
21.48
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 LEU A  74
LEU A  10
GLN A 258
GLU A  80
 None
 1.15A 4i41A-2xfgA:
undetectable		 4i41A-2xfgA:
21.43
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.
3b8o LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WZZE

(Escherichia
coli) 		no annotation 4 LEU A 109
LEU A 164
GLN A 185
GLU A 117
 None
 1.18A 4i41A-3b8oA:
undetectable		 4i41A-3b8oA:
20.13
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.
3bmb REGULATOR OF
NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF01272
(GreA_GreB)
PF14760
(Rnk_N) 		4 LEU A  75
LEU A 119
GLN A 127
GLU A 125
 None
 1.14A 4i41A-3bmbA:
undetectable		 4i41A-3bmbA:
20.57
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.
3bws PROTEIN LP49

(Leptospira
interrogans) 		PF10282
(Lactonase) 		4 LEU A 163
LEU A 182
GLN A 212
GLU A 196
 None
 1.24A 4i41A-3bwsA:
undetectable		 4i41A-3bwsA:
23.62
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 378
LEU A 372
GLN A 162
GLU A 392
 None
 1.22A 4i41A-3e0lA:
undetectable		 4i41A-3e0lA:
20.72
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.
3e59 PYOVERDINE
BIOSYNTHESIS PROTEIN
PVCA

(Pseudomonas
aeruginosa) 		PF05141
(DIT1_PvcA) 		4 LEU A  17
LEU A  45
GLN A 257
GLU A  36
 None
None
PO4  A 329 (-3.7A)
None
 1.09A 4i41A-3e59A:
undetectable		 4i41A-3e59A:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f2a PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  44
LEU A 120
GLN A 127
GLU A 171
 985  A   1 (-4.1A)
985  A   1 (-4.3A)
None
None
 0.49A 4i41A-3f2aA:
44.5		 4i41A-3f2aA:
95.55
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.
3hw2 PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY M MEMBER 2

(Homo sapiens) 		PF00169
(PH) 		4 LEU B 800
LEU B 852
GLN B 867
GLU B 861
 None
 1.09A 4i41A-3hw2B:
undetectable		 4i41A-3hw2B:
18.60
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.
3i5b WSPR RESPONSE
REGULATOR

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		4 LEU A 315
LEU A 259
GLN A 321
GLU A 254
 None
 1.26A 4i41A-3i5bA:
undetectable		 4i41A-3i5bA:
19.37
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.
3j0a TOLL-LIKE RECEPTOR 5

(Homo sapiens) 		PF01582
(TIR)
PF13855
(LRR_8) 		4 LEU A 410
LEU A 396
GLN A 368
GLU A 432
 None
 1.17A 4i41A-3j0aA:
undetectable		 4i41A-3j0aA:
16.75
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.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		4 LEU A  82
LEU A 304
GLN A 166
GLU A 122
 None
 0.89A 4i41A-3k8vA:
undetectable		 4i41A-3k8vA:
20.42
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.
3mzs CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME

(Bos taurus) 		PF00067
(p450) 		4 LEU A 338
LEU A 402
GLN A 310
GLU A 315
 None
 1.12A 4i41A-3mzsA:
undetectable		 4i41A-3mzsA:
23.58
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		4 LEU A 116
LEU A 371
GLN A 110
GLU A 362
 None
None
None
HEM  A 406 ( 4.6A)
 1.24A 4i41A-3nc3A:
undetectable		 4i41A-3nc3A:
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.
3nj2 DUF269-CONTAINING
PROTEIN

(Cyanothece sp.
ATCC 51142) 		PF03270
(DUF269) 		4 LEU A 147
LEU A  60
GLN A  33
GLU A  25
 None
 1.04A 4i41A-3nj2A:
undetectable		 4i41A-3nj2A:
21.05
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.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		4 LEU A 192
LEU A 166
GLN A 154
GLU A 340
 None
 1.02A 4i41A-3q5eA:
undetectable		 4i41A-3q5eA:
21.41
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.
3r4r HYPOTHETICAL
FIMBRIAL ASSEMBLY
PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		4 LEU A  64
LEU A  43
GLN A  67
GLU A  93
 None
 1.23A 4i41A-3r4rA:
undetectable		 4i41A-3r4rA:
21.21
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.
3rmv GLYCOGENIN-1

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		4 LEU A  92
LEU A   9
GLN A   4
GLU A 119
 None
UDP  A 264 (-4.1A)
None
None
 1.24A 4i41A-3rmvA:
undetectable		 4i41A-3rmvA:
22.01
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		4 LEU A  95
LEU A 101
GLN A  89
GLU A  47
 None
 1.27A 4i41A-3rqzA:
undetectable		 4i41A-3rqzA:
22.30
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		4 LEU A 110
LEU A 105
GLN A 218
GLU A 123
 None
None
DAH  A 351 (-2.8A)
None
 1.14A 4i41A-3tehA:
1.2		 4i41A-3tehA:
23.24
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.
3txx PUTRESCINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 169
LEU A 138
GLN A 164
GLU A   9
 None
 1.16A 4i41A-3txxA:
undetectable		 4i41A-3txxA:
23.45
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 LEU A 368
LEU A 417
GLN A 365
GLU A 244
 None
 1.24A 4i41A-3uowA:
undetectable		 4i41A-3uowA:
20.04
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.
3uxj NADPH-DEPENDENT
7-CYANO-7-DEAZAGUANI
NE REDUCTASE

(Vibrio cholerae) 		PF14489
(QueF)
PF14819
(QueF_N) 		4 LEU A 253
LEU A 185
GLN A 249
GLU A 180
 None
 0.99A 4i41A-3uxjA:
undetectable		 4i41A-3uxjA:
19.55
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 LEU A 510
LEU A 437
GLN A 125
GLU A 655
 None
 1.25A 4i41A-3v8xA:
undetectable		 4i41A-3v8xA:
15.71
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.
3w6j SCPB

(Geobacillus
stearothermophilus) 		PF04079
(SMC_ScpB) 		4 LEU B  56
LEU B  24
GLN B  68
GLU B  71
 None
 0.68A 4i41A-3w6jB:
undetectable		 4i41A-3w6jB:
20.96
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.
3w6k SCPB

(Geobacillus
stearothermophilus) 		PF04079
(SMC_ScpB) 		4 LEU B  56
LEU B  24
GLN B  68
GLU B  71
 None
 0.70A 4i41A-3w6kB:
undetectable		 4i41A-3w6kB:
16.37
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.
3wvi TYPE-2 RESTRICTION
ENZYME HINDIII

(Haemophilus
influenzae) 		PF09518
(RE_HindIII) 		4 LEU A 172
LEU A 178
GLN A  76
GLU A 182
 None
 1.24A 4i41A-3wviA:
undetectable		 4i41A-3wviA:
22.53
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.
3zmd PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF12802
(MarR_2) 		4 LEU A 131
LEU A 140
GLN A  31
GLU A  23
 None
 1.24A 4i41A-3zmdA:
undetectable		 4i41A-3zmdA:
21.65
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.
3zuv DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF13857
(Ank_5) 		4 LEU B  57
LEU B  51
GLN B  26
GLU B  61
 None
 1.23A 4i41A-3zuvB:
undetectable		 4i41A-3zuvB:
17.99
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		4 LEU A 147
LEU A 201
GLN A 166
GLU A 174
 None
 1.22A 4i41A-4a39A:
undetectable		 4i41A-4a39A:
20.36
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		4 LEU A 350
LEU A 320
GLN A 308
GLU A 355
 None
 1.21A 4i41A-4fcgA:
undetectable		 4i41A-4fcgA:
21.70
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.
4gjp HAX3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 LEU A 287
LEU A 307
GLN A 326
GLU A 292
 None
 1.16A 4i41A-4gjpA:
undetectable		 4i41A-4gjpA:
19.60
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.
4hyk DNA POLYMERASE IV

(Sulfolobus
acidocaldarius) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		4 LEU A 207
LEU A 226
GLN A 173
GLU A 178
 None
 1.22A 4i41A-4hykA:
undetectable		 4i41A-4hykA:
22.55
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 LEU A 448
LEU A 521
GLN A 475
GLU A 453
 None
 1.27A 4i41A-4i7iA:
undetectable		 4i41A-4i7iA:
19.58
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.
4igi COLLAGEN ALPHA3(VI)

(Mus musculus) 		PF00092
(VWA) 		4 LEU A1136
LEU A1133
GLN A1049
GLU A1076
 None
 0.82A 4i41A-4igiA:
undetectable		 4i41A-4igiA:
23.49
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.
4jj6 ACETYL XYLAN
ESTERASE

(Geobacillus
stearothermophilus) 		PF13472
(Lipase_GDSL_2) 		4 LEU A  69
LEU A 133
GLN A  80
GLU A 123
 None
 1.27A 4i41A-4jj6A:
undetectable		 4i41A-4jj6A:
23.96
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.
4k22 PROTEIN VISC

(Escherichia
coli) 		PF01494
(FAD_binding_3) 		4 LEU A 159
LEU A 170
GLN A 328
GLU A 144
 None
 1.13A 4i41A-4k22A:
undetectable		 4i41A-4k22A:
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.
4mhv PROTEIN C-ETS-2

(Homo sapiens) 		PF02198
(SAM_PNT) 		4 LEU A 142
LEU A 159
GLN A 137
GLU A 108
 None
 1.21A 4i41A-4mhvA:
undetectable		 4i41A-4mhvA:
14.89
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A  79
LEU A  88
GLN A  83
GLU A 249
 None
 1.13A 4i41A-4mnaA:
undetectable		 4i41A-4mnaA:
18.92
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 295
LEU A 394
GLN A 404
GLU A 461
 None
 1.16A 4i41A-4mz0A:
undetectable		 4i41A-4mz0A:
14.89
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A4479
LEU A4578
GLN A4588
GLU A4651
 None
 1.06A 4i41A-4opeA:
undetectable		 4i41A-4opeA:
19.54
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.
4pfr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		4 LEU A 235
LEU A 254
GLN A  46
GLU A  83
 None
 1.11A 4i41A-4pfrA:
undetectable		 4i41A-4pfrA:
23.26
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.
4ueg GLYCOGENIN-2

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		4 LEU A  94
LEU A  11
GLN A   6
GLU A 121
 None
 1.27A 4i41A-4uegA:
undetectable		 4i41A-4uegA:
22.36
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.
4xng UNCHARACTERIZED
PROTEIN MG218.1

(Mycoplasma
genitalium) 		no annotation 4 LEU A  89
LEU A  95
GLN A 183
GLU A 132
 None
 1.27A 4i41A-4xngA:
undetectable		 4i41A-4xngA:
17.13
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.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		4 LEU A 333
LEU A 327
GLN A 274
GLU A 449
 None
 1.03A 4i41A-4zzyA:
undetectable		 4i41A-4zzyA:
23.58
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 LEU E  46
LEU E 106
GLN E 113
GLU E  80
 None
 1.19A 4i41A-5brrE:
undetectable		 4i41A-5brrE:
23.28
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.
5c6g AGR133CP

(Eremothecium
gossypii) 		PF10345
(Cohesin_load) 		4 LEU A 439
LEU A 465
GLN A 433
GLU A 427
 None
 1.15A 4i41A-5c6gA:
undetectable		 4i41A-5c6gA:
18.35
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 LEU A 546
LEU A 527
GLN A 322
GLU A 331
 None
 1.26A 4i41A-5cslA:
1.7		 4i41A-5cslA:
8.97
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.
5cv1 P GRANULE
ABNORMALITY PROTEIN
1

(Caenorhabditis
elegans) 		no annotation 4 LEU A 352
LEU A 391
GLN A 358
GLU A 320
 None
 1.24A 4i41A-5cv1A:
undetectable		 4i41A-5cv1A:
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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
DNA PRIMASE LARGE
SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF04104
(DNA_primase_lrg)
PF08996
(zf-DNA_Pol) 		4 LEU B 108
LEU C1451
GLN B 247
GLU B  43
 None
 1.00A 4i41A-5exrB:
undetectable		 4i41A-5exrB:
20.16
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		4 LEU A 201
LEU A 225
GLN A 293
GLU A 298
 None
 1.00A 4i41A-5fubA:
undetectable		 4i41A-5fubA:
21.20
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.
5gpy TRANSCRIPTION
INITIATION FACTOR
IIE SUBUNIT BETA

(Homo sapiens) 		no annotation 4 LEU B 175
LEU B 154
GLN B 179
GLU B 169
 None
 1.27A 4i41A-5gpyB:
undetectable		 4i41A-5gpyB:
18.99
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		4 LEU A 475
LEU A 495
GLN A 444
GLU A 522
 None
 1.14A 4i41A-5h2vA:
undetectable		 4i41A-5h2vA:
13.50
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.
5hbt ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA 1

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 LEU B  37
LEU B  92
GLN B 164
GLU B 161
 None
 1.20A 4i41A-5hbtB:
1.5		 4i41A-5hbtB:
21.40
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.
5hy6 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5A

(Spodoptera
frugiperda) 		PF01287
(eIF-5a) 		4 LEU A 102
LEU A 122
GLN A  92
GLU A  89
 None
 1.19A 4i41A-5hy6A:
undetectable		 4i41A-5hy6A:
20.08
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A  14
LEU A  54
GLN A  26
GLU A  33
 None
 1.22A 4i41A-5ijzA:
undetectable		 4i41A-5ijzA:
20.09
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		4 LEU A 347
LEU A 306
GLN A 340
GLU A 195
 None
 0.88A 4i41A-5irmA:
undetectable		 4i41A-5irmA:
15.76
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.
5j1i PLECTIN

(Homo sapiens) 		no annotation 4 LEU A1152
LEU A1159
GLN A1235
GLU A1310
 None
 1.10A 4i41A-5j1iA:
undetectable		 4i41A-5j1iA:
21.64
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.
5keu TAURINE DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF02668
(TauD) 		4 LEU A  59
LEU A 130
GLN A  70
GLU A  89
 None
 1.11A 4i41A-5keuA:
undetectable		 4i41A-5keuA:
22.69
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.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		4 LEU B 488
LEU B 494
GLN B 169
GLU B 271
 None
 1.21A 4i41A-5lw7B:
undetectable		 4i41A-5lw7B:
19.97
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU A 287
LEU A 221
GLN A 295
GLU A 291
 None
 1.28A 4i41A-5m2nA:
undetectable		 4i41A-5m2nA:
16.25
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.
5m42 PROLINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		4 LEU A  87
LEU A  62
GLN A 157
GLU A 122
 None
 1.06A 4i41A-5m42A:
undetectable		 4i41A-5m42A:
24.76
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6
26S PROTEASOME
REGULATORY SUBUNIT
RPN7
26S PROTEASOME
REGULATORY SUBUNIT
RPN8

(Saccharomyces
cerevisiae) 		PF01398
(JAB)
PF01399
(PCI)
PF10602
(RPN7)
PF13012
(MitMem_reg) 		4 LEU Q 419
LEU U 261
GLN R 406
GLU Q 414
 None
 1.17A 4i41A-5mpdQ:
undetectable		 4i41A-5mpdQ:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 LEU A1023
LEU A 996
GLN A1016
GLU A1052
 None
 1.18A 4i41A-5nvrA:
undetectable		 4i41A-5nvrA:
14.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 4 LEU A  44
LEU A 120
GLN A 127
GLU A 171
 None
7LK  A 401 (-4.0A)
None
None
 0.56A 4i41A-5turA:
44.2		 4i41A-5turA:
70.71
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 LEU A 308
LEU A 416
GLN A 437
GLU A 347
 None
 1.18A 4i41A-5u2gA:
undetectable		 4i41A-5u2gA:
15.39
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		4 LEU A 114
LEU A 358
GLN A 108
GLU A 349
 None
None
None
HEM  A 401 ( 4.7A)
 1.16A 4i41A-5vwsA:
undetectable		 4i41A-5vwsA:
21.17
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.
5wwl CENTROMERE PROTEIN
MIS12
KINETOCHORE PROTEIN
NNF1

(Schizosaccharomyces
pombe) 		no annotation 4 LEU M 154
LEU M 148
GLN M 175
GLU N 160
 None
 1.27A 4i41A-5wwlM:
undetectable		 4i41A-5wwlM:
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.
5wxi EARP

(Neisseria
meningitidis) 		no annotation 4 LEU A 331
LEU A 325
GLN A 341
GLU A 197
 None
 1.26A 4i41A-5wxiA:
undetectable		 4i41A-5wxiA:
16.25
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		4 LEU A 304
LEU A 351
GLN A 314
GLU A 378
 None
 1.07A 4i41A-5xgsA:
undetectable		 4i41A-5xgsA:
23.09
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 4 LEU A 619
LEU A 604
GLN A 634
GLU A 629
 None
 1.26A 4i41A-5xpgA:
2.5		 4i41A-5xpgA:
14.59
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 4 LEU A 860
LEU A 964
GLN A 996
GLU A 844
 None
 1.12A 4i41A-6bhvA:
undetectable		 4i41A-6bhvA:
13.60