SIMILAR PATTERNS OF AMINO ACIDS FOR 2ITZ_A_IREA2021_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 VAL A 209
ALA A 220
GLU A 236
THR A 266
GLY A 272
ASP A 276
LEU A 321
ASP A 332
 None
 0.78A 2itzA-1k9aA:
32.4		 2itzA-1k9aA:
25.75
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		9 VAL A 209
ALA A 220
LYS A 222
GLU A 236
MET A 240
THR A 266
GLY A 272
LEU A 321
ASP A 332
 None
 0.78A 2itzA-1k9aA:
32.4		 2itzA-1k9aA:
25.75
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 267
VAL A 275
ALA A 288
LYS A 290
GLU A 305
MET A 309
THR A 334
GLY A 340
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.5A)
P16  A   2 (-4.2A)
P16  A   2 (-3.3A)
P16  A   2 (-3.7A)
P16  A   2 (-3.4A)
 0.82A 2itzA-1opkA:
30.1		 2itzA-1opkA:
24.15
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 267
VAL A 275
ALA A 288
LYS A 290
GLU A 305
THR A 334
GLY A 340
LEU A 389
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
P16  A   2 (-3.4A)
P16  A   2 (-4.5A)
P16  A   2 (-4.2A)
P16  A   2 (-3.7A)
P16  A   2 (-3.4A)
P16  A   2 (-4.4A)
 0.89A 2itzA-1opkA:
30.1		 2itzA-1opkA:
24.15
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		8 VAL A 219
ALA A 230
LYS A 232
GLU A 245
GLY A 286
ASP A 290
LEU A 340
ASP A 351
 PY1  A 700 ( 4.7A)
PY1  A 700 (-3.5A)
PY1  A 700 (-3.9A)
PY1  A 700 ( 4.9A)
PY1  A 700 (-3.6A)
None
PY1  A 700 (-4.4A)
PY1  A 700 (-2.7A)
 0.74A 2itzA-1py5A:
26.6		 2itzA-1py5A:
25.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 377
ALA A 389
LYS A 391
GLY A 441
ASP A 445
LEU A 489
ASP A 500
 None
 0.69A 2itzA-1snxA:
29.8		 2itzA-1snxA:
33.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 603
ALA A 621
LYS A 623
GLU A 640
THR A 670
GLY A 676
LEU A 799
 STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-3.6A)
STI  A   3 (-3.2A)
STI  A   3 ( 3.8A)
STI  A   3 (-4.4A)
 0.71A 2itzA-1t46A:
30.8		 2itzA-1t46A:
31.58
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLU A  55
GLY A  90
LEU A 137
ASP A 148
 HYM  A 400 (-4.2A)
HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
None
None
HYM  A 400 (-4.5A)
HYM  A 400 (-3.9A)
 0.79A 2itzA-1zltA:
16.4		 2itzA-1zltA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU X  17
VAL X  25
ALA X  37
GLU X  54
THR X  82
GLY X  88
ASP X  92
LEU X 137
 STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
None
STU  X 902 (-4.4A)
 0.81A 2itzA-2dq7X:
31.8		 2itzA-2dq7X:
32.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU X  17
VAL X  25
ALA X  37
LYS X  39
GLU X  54
MET X  58
THR X  82
GLY X  88
LEU X 137
 STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
None
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
 0.79A 2itzA-2dq7X:
31.8		 2itzA-2dq7X:
32.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL X  25
ALA X  37
GLU X  54
THR X  82
GLY X  88
ASP X  92
LEU X 137
ASP X 148
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
None
STU  X 902 (-4.4A)
STU  X 902 (-3.6A)
 0.76A 2itzA-2dq7X:
31.8		 2itzA-2dq7X:
32.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 VAL X  25
ALA X  37
LYS X  39
GLU X  54
MET X  58
THR X  82
GLY X  88
LEU X 137
ASP X 148
 STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
None
STU  X 902 (-4.1A)
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
STU  X 902 (-3.6A)
 0.78A 2itzA-2dq7X:
31.8		 2itzA-2dq7X:
32.84
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
THR A 338
GLY A 344
ASP A 348
LEU A 393
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
H8H  A 534 (-3.1A)
H8H  A 534 (-3.3A)
None
H8H  A 534 (-4.5A)
 0.60A 2itzA-2h8hA:
29.6		 2itzA-2h8hA:
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
THR A 338
GLY A 344
LEU A 393
ASP A 404
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
H8H  A 534 (-3.1A)
H8H  A 534 (-3.3A)
H8H  A 534 (-4.5A)
H8H  A 534 (-4.2A)
 0.75A 2itzA-2h8hA:
29.6		 2itzA-2h8hA:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		10 LEU A 251
VAL A 259
ALA A 271
LYS A 273
GLU A 288
MET A 292
THR A 316
GLY A 322
ASP A 326
LEU A 371
 1BM  A 499 ( 3.7A)
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 ( 3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-3.5A)
None
1BM  A 499 (-4.4A)
 0.62A 2itzA-2hk5A:
26.3		 2itzA-2hk5A:
33.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 248
VAL A 256
ALA A 269
LYS A 271
GLU A 286
MET A 290
THR A 315
ASP A 381
 GIN  A 600 ( 4.6A)
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.2A)
GIN  A 600 (-3.4A)
GIN  A 600 (-4.9A)
 0.80A 2itzA-2hz0A:
30.7		 2itzA-2hz0A:
36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 248
VAL A 256
ALA A 269
LYS A 271
GLU A 286
MET A 290
THR A 315
GLY A 321
LEU A 370
 GIN  A 600 ( 4.6A)
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.2A)
GIN  A 600 (-3.4A)
None
GIN  A 600 (-4.7A)
 0.90A 2itzA-2hz0A:
30.7		 2itzA-2hz0A:
36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		10 LEU A 251
VAL A 259
ALA A 271
LYS A 273
GLU A 288
MET A 292
THR A 316
GLY A 322
ASP A 326
LEU A 371
 None
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 3.5A)
None
1N8  A 501 ( 4.3A)
 1.00A 2itzA-2og8A:
29.5		 2itzA-2og8A:
33.44
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		7 LEU A  25
VAL A  33
ALA A  46
GLY A 109
ASP A 113
LEU A 156
THR A 166
 ATP  A 381 ( 4.3A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
None
None
ATP  A 381 ( 4.8A)
ATP  A 381 ( 4.6A)
 0.72A 2itzA-2phkA:
23.3		 2itzA-2phkA:
26.12
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		8 LEU A  25
VAL A  33
ALA A  46
LYS A  48
GLU A  73
GLY A 109
THR A 166
ASP A 167
 ATP  A 381 ( 4.3A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.2A)
None
None
ATP  A 381 ( 4.6A)
MN  A 382 (-2.0A)
 0.79A 2itzA-2phkA:
23.3		 2itzA-2phkA:
26.12
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		7 LEU A  25
VAL A  33
ALA A  46
LYS A  48
GLY A 109
LEU A 156
THR A 166
 ATP  A 381 ( 4.3A)
ATP  A 381 (-4.1A)
ATP  A 381 (-3.5A)
ATP  A 381 (-3.2A)
None
ATP  A 381 ( 4.8A)
ATP  A 381 ( 4.6A)
 0.68A 2itzA-2phkA:
23.3		 2itzA-2phkA:
26.12
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 204
ALA A 215
LYS A 217
GLU A 230
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
None
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.74A 2itzA-2qluA:
25.8		 2itzA-2qluA:
25.07
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.
2qlu ACTIVIN RECEPTOR
TYPE IIB

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 204
ALA A 215
LYS A 217
THR A 265
GLY A 271
ASP A 275
LEU A 328
ASP A 339
 ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
None
ADE  A 488 (-4.4A)
None
 0.64A 2itzA-2qluA:
25.8		 2itzA-2qluA:
25.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2p EPHRIN TYPE-A
RECEPTOR 5

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		7 VAL A 689
ALA A 705
GLU A 724
MET A 728
THR A 753
GLY A 759
LEU A 807
 None
 0.74A 2itzA-2r2pA:
33.7		 2itzA-2r2pA:
33.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 724
VAL A 732
ALA A 749
LYS A 751
THR A 796
GLY A 802
LEU A 850
THR A 860
ASP A 861
 GW7  A   1 ( 4.2A)
GW7  A   1 ( 4.8A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 (-4.0A)
GW7  A   1 (-3.6A)
GW7  A   1 (-4.2A)
GW7  A   1 (-3.5A)
GW7  A   1 (-4.1A)
 0.82A 2itzA-2r4bA:
32.5		 2itzA-2r4bA:
78.74
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.
2xk9 CHECKPOINT KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A 226
VAL A 234
ALA A 247
LYS A 249
GLY A 307
ASP A 311
LEU A 354
THR A 367
 XK9  A1511 (-3.8A)
XK9  A1511 (-4.8A)
XK9  A1511 ( 4.1A)
XK9  A1511 (-4.2A)
XK9  A1511 ( 3.7A)
None
XK9  A1511 (-4.6A)
XK9  A1511 (-3.7A)
 0.83A 2itzA-2xk9A:
21.5		 2itzA-2xk9A:
27.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		7 VAL A 635
ALA A 651
LYS A 653
MET A 674
THR A 699
GLY A 705
LEU A 753
 Q9G  A1898 ( 4.7A)
Q9G  A1898 (-3.2A)
Q9G  A1898 (-4.8A)
Q9G  A1898 (-3.9A)
Q9G  A1898 (-3.5A)
Q9G  A1898 ( 3.8A)
Q9G  A1898 (-4.3A)
 0.62A 2itzA-2xyuA:
28.9		 2itzA-2xyuA:
36.30
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.
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A  38
ALA A  51
LYS A  53
GLY A 113
ASP A 117
LEU A 160
ASP A 171
 None
B49  A1294 (-3.2A)
None
B49  A1294 (-3.6A)
None
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
 0.66A 2itzA-2y7jA:
24.4		 2itzA-2y7jA:
20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2z8c INSULIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A1002
VAL A1010
ALA A1028
LYS A1030
GLU A1047
MET A1051
GLY A1082
ASP A1150
 S91  A   1 ( 4.1A)
S91  A   1 ( 4.9A)
S91  A   1 (-3.2A)
S91  A   1 ( 4.2A)
None
None
S91  A   1 (-3.3A)
None
 0.78A 2itzA-2z8cA:
23.5		 2itzA-2z8cA:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		9 LEU A 253
VAL A 261
ALA A 273
LYS A 275
GLU A 290
MET A 294
GLY A 325
ASP A 329
LEU A 374
 None
 0.71A 2itzA-2zv7A:
29.0		 2itzA-2zv7A:
33.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		9 LEU A 253
VAL A 261
ALA A 273
LYS A 275
MET A 294
THR A 319
GLY A 325
ASP A 329
LEU A 374
 None
 0.74A 2itzA-2zv7A:
29.0		 2itzA-2zv7A:
33.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 209
ALA A 220
GLU A 236
THR A 266
GLY A 272
ASP A 276
LEU A 321
ASP A 332
 None
 0.78A 2itzA-3d7uA:
26.9		 2itzA-3d7uA:
35.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 VAL A 209
ALA A 220
LYS A 222
GLU A 236
MET A 240
THR A 266
GLY A 272
LEU A 321
ASP A 332
 None
 0.78A 2itzA-3d7uA:
26.9		 2itzA-3d7uA:
35.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		7 VAL A 647
ALA A 663
LYS A 665
GLU A 682
MET A 686
GLY A 717
LEU A 765
 IHZ  A1001 ( 4.4A)
IHZ  A1001 (-3.3A)
IHZ  A1001 ( 4.5A)
IHZ  A1001 (-3.8A)
IHZ  A1001 (-3.5A)
IHZ  A1001 ( 3.9A)
IHZ  A1001 (-4.6A)
 0.72A 2itzA-3dkoA:
31.3		 2itzA-3dkoA:
31.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fzp PROTEIN TYROSINE
KINASE 2 BETA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 431
VAL A 439
ALA A 455
LYS A 457
GLU A 474
GLY A 508
LEU A 556
ASP A 567
 AGS  A 999 ( 4.4A)
AGS  A 999 (-4.6A)
AGS  A 999 (-3.6A)
AGS  A 999 (-2.5A)
AGS  A 999 (-3.6A)
None
AGS  A 999 (-4.5A)
AGS  A 999 ( 3.9A)
 1.32A 2itzA-3fzpA:
31.6		 2itzA-3fzpA:
35.56
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.
3g2f BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 217
ALA A 228
LYS A 230
GLU A 243
GLY A 285
LEU A 340
ASP A 351
 ADP  A 900 (-4.3A)
ADP  A 900 (-3.4A)
ADP  A 900 (-2.8A)
ADP  A 900 ( 4.7A)
ADP  A 900 ( 4.2A)
ADP  A 900 (-4.6A)
ADP  A 900 ( 2.7A)
 0.73A 2itzA-3g2fA:
26.1		 2itzA-3g2fA:
25.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 696
VAL A 704
LYS A 723
THR A 768
GLY A 774
ASP A 778
LEU A 822
 ANP  A   1 (-4.4A)
ANP  A   1 (-3.9A)
ANP  A   1 (-3.4A)
ANP  A   1 ( 4.8A)
ANP  A   1 ( 4.9A)
None
ANP  A   1 (-4.7A)
 0.68A 2itzA-3kexA:
31.8		 2itzA-3kexA:
55.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kul EPHRIN TYPE-A
RECEPTOR 8

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		9 VAL A 649
ALA A 665
LYS A 667
GLU A 684
MET A 688
THR A 713
GLY A 719
LEU A 767
ASP A 778
 None
None
None
None
None
None
GOL  A 403 (-3.4A)
None
None
 0.81A 2itzA-3kulA:
34.0		 2itzA-3kulA:
32.27
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		8 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ASP A 754
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.95A 2itzA-3lj0A:
23.4		 2itzA-3lj0A:
26.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 694
ALA A 719
THR A 766
GLY A 772
ASP A 776
LEU A 820
THR A 830
ASP A 831
 ITI  A   1 (-3.9A)
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
ITI  A   1 (-3.5A)
None
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
 0.76A 2itzA-3lzbA:
34.3		 2itzA-3lzbA:
87.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 694
VAL A 702
ALA A 719
THR A 766
ASP A 776
LEU A 820
THR A 830
ASP A 831
 ITI  A   1 (-3.9A)
ITI  A   1 (-4.8A)
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
None
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
 0.87A 2itzA-3lzbA:
34.3		 2itzA-3lzbA:
87.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 216
ALA A 227
LYS A 229
GLU A 242
THR A 277
GLY A 283
ASP A 287
LEU A 337
 LDN  A 600 (-4.5A)
LDN  A 600 (-3.2A)
LDN  A 600 (-4.0A)
None
LDN  A 600 (-4.0A)
LDN  A 600 (-3.3A)
LDN  A 600 (-3.8A)
LDN  A 600 (-4.6A)
 1.05A 2itzA-3my0A:
26.1		 2itzA-3my0A:
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		8 LEU A 192
VAL A 200
ALA A 213
LYS A 215
GLU A 234
GLY A 269
LEU A 318
ASP A 329
 AMP  A 577 ( 4.3A)
AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 (-2.8A)
None
None
AMP  A 577 (-4.8A)
AMP  A 577 (-4.0A)
 0.75A 2itzA-3nyoA:
19.9		 2itzA-3nyoA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 ALA A 751
LYS A 753
THR A 798
GLY A 804
ASP A 808
LEU A 852
THR A 862
ASP A 863
 03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
03Q  A   1 ( 3.9A)
None
03Q  A   1 (-4.4A)
03Q  A   1 (-3.3A)
03Q  A   1 (-4.0A)
 0.70A 2itzA-3pp0A:
36.9		 2itzA-3pp0A:
78.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 726
VAL A 734
ALA A 751
LYS A 753
THR A 798
GLY A 804
ASP A 808
LEU A 852
 03Q  A   1 (-3.8A)
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
03Q  A   1 ( 3.9A)
None
03Q  A   1 (-4.4A)
 0.69A 2itzA-3pp0A:
36.9		 2itzA-3pp0A:
78.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 734
ALA A 751
LYS A 753
THR A 798
GLY A 804
ASP A 808
LEU A 852
THR A 862
 03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
03Q  A   1 ( 3.9A)
None
03Q  A   1 (-4.4A)
03Q  A   1 (-3.3A)
 0.63A 2itzA-3pp0A:
36.9		 2itzA-3pp0A:
78.59
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 206
ALA A 217
LYS A 219
GLU A 232
GLY A 273
ASP A 277
LEU A 329
ASP A 340
 TAK  A   2 ( 4.9A)
TAK  A   2 (-3.5A)
TAK  A   2 (-2.9A)
TAK  A   2 ( 4.9A)
TAK  A   2 (-3.6A)
TAK  A   2 ( 4.0A)
TAK  A   2 (-4.6A)
None
 1.01A 2itzA-3q4tA:
25.4		 2itzA-3q4tA:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 423
VAL A 431
ALA A 443
LYS A 445
THR A 489
GLY A 495
LEU A 543
 PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.2A)
PP2  A   1 (-4.6A)
 0.70A 2itzA-3sxsA:
30.6		 2itzA-3sxsA:
30.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 423
VAL A 431
ALA A 443
MET A 464
THR A 489
GLY A 495
LEU A 543
 PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 ( 4.3A)
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.2A)
PP2  A   1 (-4.6A)
 0.72A 2itzA-3sxsA:
30.6		 2itzA-3sxsA:
30.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A1951
VAL A1959
ALA A1978
LYS A1980
MET A2001
GLY A2032
LEU A2086
ASP A2102
 VGH  A3000 ( 4.4A)
None
VGH  A3000 (-3.4A)
VGH  A3000 ( 4.7A)
None
VGH  A3000 (-3.5A)
VGH  A3000 (-4.3A)
None
 0.75A 2itzA-3zbfA:
28.6		 2itzA-3zbfA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A1951
VAL A1959
LYS A1980
GLU A1997
MET A2001
GLY A2032
LEU A2086
ASP A2102
 VGH  A3000 ( 4.4A)
None
VGH  A3000 ( 4.7A)
None
None
VGH  A3000 (-3.5A)
VGH  A3000 (-4.3A)
None
 0.94A 2itzA-3zbfA:
28.6		 2itzA-3zbfA:
33.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 633
ALA A 649
GLU A 668
MET A 672
THR A 697
GLY A 703
LEU A 751
ASP A 762
 None
 0.75A 2itzA-3zfxA:
34.3		 2itzA-3zfxA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 633
ALA A 649
LYS A 651
GLU A 668
MET A 672
GLY A 703
LEU A 751
ASP A 762
 None
 0.69A 2itzA-3zfxA:
34.3		 2itzA-3zfxA:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 105
ALA A 121
LYS A 123
GLU A 140
MET A 144
GLY A 175
LEU A 223
ASP A 234
 30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
None
None
30K  A1365 (-3.5A)
30K  A1365 (-4.5A)
30K  A1365 (-3.3A)
 0.72A 2itzA-4aw5A:
29.1		 2itzA-4aw5A:
33.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aw5 EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 VAL A 105
ALA A 121
LYS A 123
MET A 144
THR A 169
GLY A 175
LEU A 223
ASP A 234
 30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
None
30K  A1365 (-3.8A)
30K  A1365 (-3.5A)
30K  A1365 (-4.5A)
30K  A1365 (-3.3A)
 0.70A 2itzA-4aw5A:
29.1		 2itzA-4aw5A:
33.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c02 ACTIVIN RECEPTOR
TYPE-1

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		9 VAL A 222
ALA A 233
LYS A 235
GLU A 248
THR A 283
GLY A 289
ASP A 293
LEU A 343
ASP A 354
 TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
None
TAK  A1507 (-3.6A)
TAK  A1507 (-3.5A)
None
TAK  A1507 (-4.7A)
TAK  A1507 (-3.5A)
 0.92A 2itzA-4c02A:
26.7		 2itzA-4c02A:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 616
VAL A 624
ALA A 653
LYS A 655
GLU A 672
MET A 676
THR A 701
 None
DI1  A1000 (-4.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.9A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
DI1  A1000 (-3.6A)
 0.70A 2itzA-4ckrA:
29.1		 2itzA-4ckrA:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f4p TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 377
VAL A 385
ALA A 400
LYS A 402
GLU A 420
MET A 424
GLY A 454
LEU A 501
ASP A 512
 0SB  A 701 ( 3.9A)
0SB  A 701 (-4.0A)
0SB  A 701 (-3.3A)
0SB  A 701 ( 4.8A)
None
None
0SB  A 701 (-3.5A)
0SB  A 701 (-4.4A)
0SB  A 701 (-3.9A)
 0.59A 2itzA-4f4pA:
32.6		 2itzA-4f4pA:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A1122
VAL A1130
ALA A1148
LYS A1150
GLU A1167
GLY A1202
LEU A1256
ASP A1270
 0UV  A1501 (-3.8A)
0UV  A1501 (-4.5A)
0UV  A1501 (-3.4A)
0UV  A1501 (-3.7A)
None
0UV  A1501 (-3.6A)
0UV  A1501 (-4.6A)
0UV  A1501 ( 4.2A)
 0.93A 2itzA-4fodA:
24.7		 2itzA-4fodA:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		8 LEU A 855
VAL A 863
ALA A 880
LYS A 882
GLU A 898
GLY A 935
ASP A 939
LEU A 983
 IZA  A2001 (-3.7A)
None
IZA  A2001 (-3.4A)
IZA  A2001 ( 4.7A)
None
IZA  A2001 (-3.3A)
None
IZA  A2001 ( 4.7A)
 0.69A 2itzA-4gl9A:
31.0		 2itzA-4gl9A:
34.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		8 VAL A 863
ALA A 880
LYS A 882
GLU A 898
GLY A 935
ASP A 939
LEU A 983
ASP A 994
 None
IZA  A2001 (-3.4A)
IZA  A2001 ( 4.7A)
None
IZA  A2001 (-3.3A)
None
IZA  A2001 ( 4.7A)
IZA  A2001 ( 4.5A)
 0.68A 2itzA-4gl9A:
31.0		 2itzA-4gl9A:
34.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		8 LEU A 132
VAL A 140
ALA A 156
LYS A 158
GLY A 211
ASP A 215
LEU A 259
ASP A 270
 None
 0.53A 2itzA-4hzsA:
22.9		 2itzA-4hzsA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		8 LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
ASP A 215
LEU A 259
 None
 0.66A 2itzA-4hzsA:
22.9		 2itzA-4hzsA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4id7 ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
ASP A 215
LEU A 259
 1G0  A 401 ( 4.5A)
1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-3.2A)
1G0  A 401 ( 4.5A)
None
1G0  A 401 (-4.6A)
 0.77A 2itzA-4id7A:
32.1		 2itzA-4id7A:
36.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		8 LEU A 273
VAL A 281
ALA A 293
LYS A 295
GLY A 344
ASP A 348
LEU A 393
ASP A 404
 0J9  A 601 (-4.0A)
0J9  A 601 (-4.4A)
0J9  A 601 (-3.3A)
0J9  A 601 ( 4.7A)
0J9  A 601 ( 4.1A)
None
0J9  A 601 (-4.5A)
0J9  A 601 (-3.1A)
 0.77A 2itzA-4k11A:
29.3		 2itzA-4k11A:
26.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		9 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.78A 2itzA-4k33A:
28.5		 2itzA-4k33A:
32.04
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 421
ALA A 434
LYS A 436
MET A 456
GLY A 487
ASP A 491
LEU A 533
ASP A 544
 None
B49  A 701 (-3.2A)
None
None
B49  A 701 ( 3.7A)
B49  A 701 ( 4.3A)
B49  A 701 (-4.5A)
B49  A 701 (-4.6A)
 0.75A 2itzA-4ks8A:
25.5		 2itzA-4ks8A:
26.33
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.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  33
VAL A  41
ALA A  54
LYS A  56
GLU A  70
MET A  74
GLY A 105
ASP A 109
LEU A 153
 GOL  A 404 ( 3.6A)
GOL  A 404 (-4.5A)
GOL  A 404 ( 3.1A)
GOL  A 403 ( 4.6A)
None
None
GOL  A 404 (-3.6A)
None
GOL  A 403 ( 4.4A)
 0.89A 2itzA-4lg4A:
20.1		 2itzA-4lg4A:
29.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		9 LEU A  33
VAL A  41
ALA A  54
LYS A  56
GLU A  70
MET A  74
GLY A 105
LEU A 153
ASP A 164
 GOL  A 404 ( 3.6A)
GOL  A 404 (-4.5A)
GOL  A 404 ( 3.1A)
GOL  A 403 ( 4.6A)
None
None
GOL  A 404 (-3.6A)
GOL  A 403 ( 4.4A)
GOL  A 403 (-2.4A)
 0.85A 2itzA-4lg4A:
20.1		 2itzA-4lg4A:
29.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		10 LEU A 273
VAL A 281
ALA A 293
LYS A 295
GLU A 310
MET A 314
GLY A 344
ASP A 348
LEU A 393
ASP A 404
 VGG  A 601 (-3.2A)
VGG  A 601 ( 3.5A)
VGG  A 601 (-3.5A)
VGG  A 601 (-3.8A)
VGG  A 601 ( 4.3A)
VGG  A 601 ( 3.6A)
VGG  A 601 ( 3.2A)
None
VGG  A 601 (-4.5A)
VGG  A 601 ( 4.7A)
 0.80A 2itzA-4lggA:
29.4		 2itzA-4lggA:
32.73
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.74A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
 0.77A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		8 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.73A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		7 LEU A 386
VAL A 394
ALA A 407
LYS A 409
GLU A 428
LEU A 511
ASP A 522
 PZW  A 801 (-3.9A)
PZW  A 801 (-4.6A)
PZW  A 801 (-3.5A)
None
None
PZW  A 801 (-4.8A)
PZW  A 801 (-3.2A)
 0.60A 2itzA-4q9zA:
22.2		 2itzA-4q9zA:
25.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		10 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.84A 2itzA-4ueuA:
32.0		 2itzA-4ueuA:
35.54
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		8 LEU A 193
VAL A 201
ALA A 214
LYS A 216
GLU A 235
GLY A 270
LEU A 321
ASP A 332
 ANW  A 601 ( 4.0A)
None
ANW  A 601 (-3.4A)
None
None
ANW  A 601 ( 4.5A)
ANW  A 601 (-4.9A)
None
 0.71A 2itzA-4wboA:
24.0		 2itzA-4wboA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		7 VAL A 335
ALA A 348
LYS A 350
MET A 370
GLY A 401
LEU A 447
ASP A 458
 ATP  A 601 (-4.4A)
ATP  A 601 ( 3.7A)
ATP  A 601 (-2.8A)
None
None
None
ATP  A 601 ( 2.5A)
 0.66A 2itzA-4xbrA:
20.0		 2itzA-4xbrA:
25.59
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.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 7 LEU B 267
VAL B 275
ALA B 288
LYS B 290
MET B 309
THR B 334
GLY B 340
 1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-3.7A)
1N1  B 601 (-3.3A)
1N1  B 601 (-3.5A)
 0.61A 2itzA-4xeyB:
26.3		 2itzA-4xeyB:
28.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 8 LEU B 267
VAL B 275
ALA B 288
LYS B 290
THR B 334
GLY B 340
ASP B 344
LEU B 389
 1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-3.3A)
1N1  B 601 (-3.5A)
None
1N1  B 601 (-4.3A)
 0.68A 2itzA-4xeyB:
26.3		 2itzA-4xeyB:
28.02
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  34
VAL A  42
ALA A  55
LYS A  57
GLU A  76
THR A 105
GLY A 111
LEU A 158
 ADP  A 506 ( 3.8A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
ADP  A 506 (-2.4A)
None
ADP  A 506 ( 4.6A)
None
ADP  A 506 (-4.7A)
 1.09A 2itzA-4ysjA:
24.3		 2itzA-4ysjA:
22.54
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		8 LEU A  34
VAL A  42
ALA A  55
LYS A  57
THR A 105
GLY A 111
ASP A 115
LEU A 158
 ADP  A 506 ( 3.8A)
ADP  A 506 (-4.3A)
ADP  A 506 (-3.3A)
ADP  A 506 (-2.4A)
ADP  A 506 ( 4.6A)
None
None
ADP  A 506 (-4.7A)
 1.09A 2itzA-4ysjA:
24.3		 2itzA-4ysjA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 484
VAL A 492
ALA A 512
LYS A 514
GLU A 531
GLY A 567
LEU A 630
ASP A 641
 38O  A1769 (-3.2A)
38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.1A)
EDO  A1766 (-4.1A)
38O  A1769 (-3.4A)
38O  A1769 (-4.6A)
38O  A1769 (-4.0A)
 0.73A 2itzA-5a46A:
30.7		 2itzA-5a46A:
31.20
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 258
ALA A 275
LYS A 277
GLU A 290
THR A 325
GLY A 331
ASP A 397
 STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
STU  A 601 (-2.4A)
STU  A 601 ( 3.8A)
STU  A 601 ( 3.7A)
STU  A 601 (-3.5A)
STU  A 601 (-3.0A)
 0.74A 2itzA-5e8yA:
21.1		 2itzA-5e8yA:
25.42
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.
5e8y TGF-BETA RECEPTOR
TYPE-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 VAL A 258
ALA A 275
LYS A 277
GLU A 290
THR A 325
GLY A 331
LEU A 386
 STU  A 601 (-4.0A)
STU  A 601 (-3.1A)
STU  A 601 (-2.4A)
STU  A 601 ( 3.8A)
STU  A 601 ( 3.7A)
STU  A 601 (-3.5A)
STU  A 601 (-3.9A)
 0.63A 2itzA-5e8yA:
21.1		 2itzA-5e8yA:
25.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 903
VAL A 911
ALA A 928
LYS A 930
GLY A 984
ASP A 988
LEU A1030
 5U3  A1200 (-3.8A)
5U3  A1200 ( 4.4A)
5U3  A1200 (-3.5A)
None
5U3  A1200 (-3.2A)
None
5U3  A1200 (-4.4A)
 0.71A 2itzA-5f1zA:
30.0		 2itzA-5f1zA:
30.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		7 LEU A 599
VAL A 607
ALA A 625
LYS A 627
GLU A 644
MET A 648
THR A 674
 748  A1001 (-3.8A)
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.3A)
748  A1001 (-3.4A)
748  A1001 (-3.2A)
 0.72A 2itzA-5grnA:
24.5		 2itzA-5grnA:
30.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		8 LEU A 599
VAL A 607
ALA A 625
LYS A 627
GLU A 644
THR A 674
GLY A 680
LEU A 825
 748  A1001 (-3.8A)
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.3A)
748  A1001 (-3.2A)
748  A1001 ( 4.0A)
748  A1001 (-4.3A)
 0.79A 2itzA-5grnA:
24.5		 2itzA-5grnA:
30.21
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.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		8 LEU A  20
VAL A  28
ALA A  41
LYS A  43
GLU A  61
GLY A  96
LEU A 143
ASP A 157
 ADP  A 301 ( 4.0A)
ADP  A 301 (-3.7A)
ADP  A 301 (-3.5A)
ADP  A 301 (-2.7A)
None
None
ADP  A 301 (-4.7A)
MG  A 302 ( 3.3A)
 0.92A 2itzA-5hu3A:
24.9		 2itzA-5hu3A:
23.78
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  30
ALA A  43
GLU A  61
MET A  65
GLY A  96
ASP A 100
LEU A 143
ASP A 154
 6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
None
None
6G2  A 901 (-3.6A)
6G2  A 901 (-4.7A)
6G2  A 901 (-4.7A)
6G2  A 901 (-3.4A)
 0.88A 2itzA-5j5tA:
22.1		 2itzA-5j5tA:
26.05
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A  30
ALA A  43
LYS A  45
GLU A  61
MET A  65
GLY A  96
ASP A 100
ASP A 154
 6G2  A 901 ( 4.9A)
6G2  A 901 (-3.2A)
6G2  A 901 ( 3.9A)
None
None
6G2  A 901 (-3.6A)
6G2  A 901 (-4.7A)
6G2  A 901 (-3.4A)
 0.89A 2itzA-5j5tA:
22.1		 2itzA-5j5tA:
26.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		11 LEU A 718
VAL A 726
ALA A 743
LYS A 745
GLU A 762
MET A 766
GLY A 796
ASP A 800
LEU A 844
THR A 854
ASP A 855
 6HJ  A1101 ( 4.6A)
6HJ  A1101 ( 4.7A)
6HJ  A1101 (-3.1A)
6HJ  A1101 (-4.2A)
6HJ  A1101 ( 4.2A)
6HJ  A1101 ( 4.1A)
6HJ  A1101 ( 4.5A)
6HJ  A1101 ( 4.1A)
6HJ  A1101 ( 4.8A)
6HJ  A1101 (-3.9A)
6HJ  A1101 (-4.3A)
 0.56A 2itzA-5j9zA:
44.1		 2itzA-5j9zA:
99.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 284
ALA A 297
LYS A 299
GLY A 350
ASP A 354
LEU A 396
THR A 406
 IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
None
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
 0.74A 2itzA-5kbrA:
23.6		 2itzA-5kbrA:
26.27
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		7 VAL A 284
ALA A 297
LYS A 299
MET A 319
GLY A 350
LEU A 396
THR A 406
 IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 (-4.1A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
 0.74A 2itzA-5kbrA:
23.6		 2itzA-5kbrA:
26.27
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.
5lpy PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		8 VAL A 897
ALA A 909
LYS A 911
GLU A 927
GLY A 962
ASP A 966
LEU A1016
ASP A1027
 ATP  A1200 ( 4.5A)
ATP  A1200 (-3.5A)
ATP  A1200 (-3.8A)
None
ATP  A1200 ( 4.0A)
ATP  A1200 (-3.9A)
ATP  A1200 (-4.6A)
ATP  A1200 (-4.1A)
 0.77A 2itzA-5lpyA:
24.7		 2itzA-5lpyA:
27.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lpz PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		8 VAL A 897
ALA A 909
LYS A 911
GLU A 927
GLY A 962
ASP A 966
LEU A1016
ASP A1027
 ADP  A1200 (-4.4A)
ADP  A1200 (-3.5A)
ADP  A1200 ( 4.3A)
None
ADP  A1200 ( 4.0A)
ADP  A1200 (-4.2A)
ADP  A1200 (-4.7A)
ADP  A1200 (-3.4A)
 0.72A 2itzA-5lpzA:
24.7		 2itzA-5lpzA:
26.76
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.
5u7q RHO-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		8 VAL A 106
ALA A 119
LYS A 121
GLU A 140
MET A 144
GLY A 175
LEU A 221
ASP A 232
 None
 0.79A 2itzA-5u7qA:
16.6		 2itzA-5u7qA:
24.28
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.
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		no annotation 7 LEU A  24
VAL A  32
ALA A  45
LYS A  47
THR A  95
GLY A 101
LEU A 153
 9WS  A 401 ( 4.2A)
9WS  A 401 ( 4.6A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
9WS  A 401 ( 4.3A)
9WS  A 401 (-4.6A)
 0.74A 2itzA-5w5jA:
13.0		 2itzA-5w5jA:
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 8 LEU A 891
VAL A 899
ALA A 917
LYS A 919
THR A 963
GLY A 969
LEU A1017
THR A1027
 ANP  A1201 (-4.1A)
ANP  A1201 (-4.4A)
ANP  A1201 (-3.3A)
ANP  A1201 (-3.8A)
ANP  A1201 (-3.9A)
ANP  A1201 ( 4.6A)
ANP  A1201 (-4.7A)
ANP  A1201 ( 4.9A)
 0.76A 2itzA-5wnoA:
31.4		 2itzA-5wnoA:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 8 VAL A 226
ALA A 237
LYS A 239
GLU A 259
GLY A 294
ASP A 298
LEU A 347
ASP A 358
 None
DL1  A 601 (-3.4A)
DL1  A 601 ( 4.1A)
None
DL1  A 601 (-3.5A)
DL1  A 601 ( 4.9A)
DL1  A 601 (-3.9A)
DL1  A 601 (-3.1A)
 1.04A 2itzA-6bfnA:
25.0		 2itzA-6bfnA:
13.56
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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 8 LEU A 881
VAL A 889
ALA A 906
LYS A 908
GLU A 925
GLY A 962
LEU A1010
ASP A1021
 ADP  A1201 ( 4.5A)
ADP  A1201 (-4.3A)
ADP  A1201 (-3.4A)
ADP  A1201 (-2.8A)
None
ADP  A1201 ( 4.1A)
ADP  A1201 (-4.5A)
MG  A1203 (-1.8A)
 0.72A 2itzA-6c7yA:
31.0		 2itzA-6c7yA:
14.56