No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 2 families.
|
1
|
1XVA
|
- |
SAM
|
C15 H22 N6 O5 S
|
C[S@@+](CC....
|
No: |
PDB id |
Binding Data |
Representative ligand |
Formula |
Smiles |
The Class containing this family consists of a total of 2 families.
|
1
|
1XVA
|
- |
SAM
|
C15 H22 N6 O5 S
|
C[S@@+](CC....
|
No: |
Ligand |
ECFP6 Tc |
MDL keys Tc
|
1
|
SAM
|
1
|
1
|
2
|
SMM
|
0.792683
|
0.96
|
3
|
S4M
|
0.6875
|
0.909091
|
4
|
S7M
|
0.670455
|
0.945946
|
5
|
M2T
|
0.636364
|
0.878378
|
6
|
GEK
|
0.612903
|
0.931507
|
7
|
SAI
|
0.571429
|
0.878378
|
8
|
ADN
|
0.565789
|
0.773333
|
9
|
RAB
|
0.565789
|
0.773333
|
10
|
XYA
|
0.565789
|
0.773333
|
11
|
5CD
|
0.564103
|
0.783784
|
12
|
EP4
|
0.5625
|
0.826667
|
13
|
SA8
|
0.56044
|
0.945205
|
14
|
SFG
|
0.555556
|
0.875
|
15
|
5X8
|
0.555556
|
0.888889
|
16
|
5N5
|
0.551282
|
0.773333
|
17
|
A4D
|
0.544304
|
0.797297
|
18
|
EEM
|
0.542553
|
0.945946
|
19
|
SAH
|
0.537634
|
0.916667
|
20
|
EU9
|
0.537037
|
0.809524
|
21
|
DTA
|
0.536585
|
0.789474
|
22
|
62X
|
0.535354
|
0.884615
|
23
|
MTA
|
0.53012
|
0.875
|
24
|
3DH
|
0.517647
|
0.849315
|
25
|
AMP MG
|
0.517241
|
0.7375
|
26
|
5AL
|
0.510417
|
0.743902
|
27
|
VMS
|
0.510204
|
0.673913
|
28
|
54H
|
0.510204
|
0.673913
|
29
|
0UM
|
0.51
|
0.857143
|
30
|
NWW
|
0.506173
|
0.739726
|
31
|
LMS
|
0.505747
|
0.666667
|
32
|
AMP
|
0.505747
|
0.707317
|
33
|
A
|
0.505747
|
0.707317
|
34
|
45A
|
0.505618
|
0.753086
|
35
|
ABM
|
0.505618
|
0.753086
|
36
|
A5A
|
0.505155
|
0.688889
|
37
|
SSA
|
0.5
|
0.684783
|
38
|
5AD
|
0.5
|
0.75
|
39
|
SON
|
0.5
|
0.746988
|
40
|
6RE
|
0.5
|
0.78481
|
41
|
SRP
|
0.5
|
0.746988
|
42
|
K15
|
0.5
|
0.883117
|
43
|
LSS
|
0.49505
|
0.706522
|
44
|
CA0
|
0.494624
|
0.714286
|
45
|
AP2
|
0.494505
|
0.705882
|
46
|
A12
|
0.494505
|
0.705882
|
47
|
ME8
|
0.490385
|
0.841463
|
48
|
TSB
|
0.49
|
0.681319
|
49
|
5CA
|
0.49
|
0.684783
|
50
|
DAL AMP
|
0.49
|
0.765432
|
51
|
53H
|
0.49
|
0.666667
|
52
|
ACP
|
0.489362
|
0.694118
|
53
|
KG4
|
0.489362
|
0.714286
|
54
|
ADP
|
0.48913
|
0.690476
|
55
|
5AS
|
0.48913
|
0.648936
|
56
|
J7C
|
0.488889
|
0.772152
|
57
|
A2D
|
0.488889
|
0.690476
|
58
|
ZAS
|
0.488636
|
0.769231
|
59
|
8QN
|
0.485149
|
0.743902
|
60
|
9ZD
|
0.485149
|
0.729412
|
61
|
9ZA
|
0.485149
|
0.729412
|
62
|
8LH
|
0.484848
|
0.746988
|
63
|
GAP
|
0.484536
|
0.73494
|
64
|
AN2
|
0.483871
|
0.682353
|
65
|
A3S
|
0.483871
|
0.813333
|
66
|
ADP BEF
|
0.483871
|
0.728395
|
67
|
ADP MG
|
0.483871
|
0.728395
|
68
|
A7D
|
0.483871
|
0.851351
|
69
|
GJV
|
0.483516
|
0.775
|
70
|
SRA
|
0.483146
|
0.694118
|
71
|
GSU
|
0.480769
|
0.722222
|
72
|
KAA
|
0.480769
|
0.698925
|
73
|
LAD
|
0.480769
|
0.752941
|
74
|
DSZ
|
0.480392
|
0.703297
|
75
|
AMO
|
0.480392
|
0.746988
|
76
|
52H
|
0.48
|
0.666667
|
77
|
8LE
|
0.479592
|
0.717647
|
78
|
APC MG
|
0.479167
|
0.731707
|
79
|
M33
|
0.478723
|
0.722892
|
80
|
BA3
|
0.478261
|
0.690476
|
81
|
MAO
|
0.478261
|
0.82716
|
82
|
AOC
|
0.477778
|
0.776316
|
83
|
NEC
|
0.477778
|
0.75
|
84
|
DSH
|
0.477778
|
0.842105
|
85
|
SXZ
|
0.47619
|
0.894737
|
86
|
NVA LMS
|
0.475728
|
0.736264
|
87
|
AHX
|
0.475728
|
0.701149
|
88
|
Y3J
|
0.47561
|
0.706667
|
89
|
8LQ
|
0.475248
|
0.768293
|
90
|
QA7
|
0.475248
|
0.738095
|
91
|
G5A
|
0.474227
|
0.684783
|
92
|
A3T
|
0.473684
|
0.8
|
93
|
B4P
|
0.473118
|
0.690476
|
94
|
AP5
|
0.473118
|
0.690476
|
95
|
A3N
|
0.472527
|
0.766234
|
96
|
KB1
|
0.471698
|
0.833333
|
97
|
LEU LMS
|
0.471154
|
0.752809
|
98
|
PRX
|
0.46875
|
0.73494
|
99
|
APC
|
0.46875
|
0.705882
|
100
|
AT4
|
0.468085
|
0.686047
|
101
|
4AD
|
0.466019
|
0.759036
|
102
|
PAJ
|
0.466019
|
0.712644
|
103
|
NWQ
|
0.465909
|
0.767123
|
104
|
V2G
|
0.464646
|
0.701149
|
105
|
ATP MG
|
0.463918
|
0.728395
|
106
|
ADP PO3
|
0.463918
|
0.728395
|
107
|
ADV
|
0.463918
|
0.72619
|
108
|
RBY
|
0.463918
|
0.72619
|
109
|
ADX
|
0.463158
|
0.666667
|
110
|
MHZ
|
0.463158
|
0.82716
|
111
|
AU1
|
0.463158
|
0.674419
|
112
|
NB8
|
0.462264
|
0.72093
|
113
|
TXA
|
0.462264
|
0.72619
|
114
|
A3G
|
0.461538
|
0.802632
|
115
|
ANP MG
|
0.46
|
0.702381
|
116
|
VO4 ADP
|
0.46
|
0.694118
|
117
|
BEF ADP
|
0.459184
|
0.710843
|
118
|
VRT
|
0.459184
|
0.842105
|
119
|
XAH
|
0.458716
|
0.715909
|
120
|
KYE
|
0.458716
|
0.802469
|
121
|
YSA
|
0.458716
|
0.684783
|
122
|
50T
|
0.458333
|
0.682353
|
123
|
ATP
|
0.458333
|
0.690476
|
124
|
H1Q
|
0.458333
|
0.719512
|
125
|
HEJ
|
0.458333
|
0.690476
|
126
|
7D7
|
0.45679
|
0.723684
|
127
|
V47
|
0.455446
|
0.810811
|
128
|
KH3
|
0.455357
|
0.871795
|
129
|
ACQ
|
0.454545
|
0.694118
|
130
|
AR6
|
0.453608
|
0.710843
|
131
|
APR
|
0.453608
|
0.710843
|
132
|
5FA
|
0.453608
|
0.690476
|
133
|
AQP
|
0.453608
|
0.690476
|
134
|
NSS
|
0.451923
|
0.703297
|
135
|
FA5
|
0.449541
|
0.746988
|
136
|
AGS
|
0.44898
|
0.678161
|
137
|
A5D
|
0.44898
|
0.789474
|
138
|
AD9
|
0.44898
|
0.674419
|
139
|
PTJ
|
0.448598
|
0.72093
|
140
|
YLB
|
0.448276
|
0.758621
|
141
|
YLP
|
0.447368
|
0.738636
|
142
|
OZP
|
0.447368
|
0.844156
|
143
|
8X1
|
0.446602
|
0.680851
|
144
|
D3Y
|
0.446602
|
0.792208
|
145
|
N5O
|
0.445652
|
0.789474
|
146
|
ALF ADP
|
0.445545
|
0.678161
|
147
|
3AM
|
0.444444
|
0.674699
|
148
|
MYR AMP
|
0.444444
|
0.776471
|
149
|
HY8
|
0.443478
|
0.822785
|
150
|
OAD
|
0.443396
|
0.73494
|
151
|
2VA
|
0.443299
|
0.779221
|
152
|
KXW
|
0.442478
|
0.844156
|
153
|
QXP
|
0.442308
|
0.67033
|
154
|
S8M
|
0.442308
|
0.831169
|
155
|
OOB
|
0.442308
|
0.722892
|
156
|
6YZ
|
0.441176
|
0.694118
|
157
|
T99
|
0.44
|
0.686047
|
158
|
ANP
|
0.44
|
0.674419
|
159
|
TAT
|
0.44
|
0.686047
|
160
|
N37
|
0.439655
|
0.828947
|
161
|
WAQ
|
0.439252
|
0.75
|
162
|
HZ2
|
0.438596
|
0.822785
|
163
|
8PZ
|
0.436364
|
0.684783
|
164
|
B5Y
|
0.436364
|
0.717647
|
165
|
N5A
|
0.43617
|
0.786667
|
166
|
F0P
|
0.435897
|
0.844156
|
167
|
YLC
|
0.435897
|
0.755814
|
168
|
AAT
|
0.435644
|
0.797468
|
169
|
1ZZ
|
0.435185
|
0.755814
|
170
|
3OD
|
0.435185
|
0.73494
|
171
|
9K8
|
0.435185
|
0.663158
|
172
|
NVA 2AD
|
0.434343
|
0.855263
|
173
|
00A
|
0.433962
|
0.689655
|
174
|
DLL
|
0.433962
|
0.722892
|
175
|
7MD
|
0.433628
|
0.715909
|
176
|
ARG AMP
|
0.433628
|
0.727273
|
177
|
ATF
|
0.431373
|
0.666667
|
178
|
SO8
|
0.43
|
0.792208
|
179
|
A6D
|
0.429907
|
0.72619
|
180
|
QXG
|
0.429907
|
0.663043
|
181
|
9X8
|
0.429907
|
0.717647
|
182
|
3UK
|
0.429907
|
0.714286
|
183
|
F2R
|
0.429752
|
0.7
|
184
|
OZV
|
0.428571
|
0.690476
|
185
|
AMP DBH
|
0.428571
|
0.714286
|
186
|
5SV
|
0.428571
|
0.741176
|
187
|
TYM
|
0.42735
|
0.746988
|
188
|
WSA
|
0.42735
|
0.692308
|
189
|
9SN
|
0.427273
|
0.681818
|
190
|
AHZ
|
0.426087
|
0.755814
|
191
|
PR8
|
0.425926
|
0.744186
|
192
|
B5V
|
0.425926
|
0.705882
|
193
|
J4G
|
0.425926
|
0.759036
|
194
|
3NZ
|
0.425926
|
0.807692
|
195
|
P5A
|
0.425926
|
0.691489
|
196
|
R2V
|
0.425926
|
0.67033
|
197
|
A1R
|
0.424528
|
0.709302
|
198
|
2A5
|
0.424242
|
0.674419
|
199
|
Q34
|
0.423729
|
0.802469
|
200
|
7MC
|
0.423729
|
0.719101
|
201
|
Q2M
|
0.423729
|
0.846154
|
202
|
B5M
|
0.423423
|
0.717647
|
203
|
HQG
|
0.423077
|
0.702381
|
204
|
U4Y
|
0.422414
|
0.88
|
205
|
7D5
|
0.422222
|
0.658824
|
206
|
JB6
|
0.422018
|
0.709302
|
207
|
FYA
|
0.422018
|
0.722892
|
208
|
AYB
|
0.421488
|
0.75
|
209
|
JNT
|
0.420561
|
0.694118
|
210
|
K2H
|
0.420561
|
0.805195
|
211
|
B1U
|
0.419643
|
0.632653
|
212
|
MAP
|
0.419048
|
0.659091
|
213
|
KY2
|
0.419048
|
0.777778
|
214
|
A22
|
0.419048
|
0.682353
|
215
|
2AM
|
0.417582
|
0.666667
|
216
|
TAD
|
0.417391
|
0.712644
|
217
|
ADP BMA
|
0.416667
|
0.714286
|
218
|
A3P
|
0.416667
|
0.686747
|
219
|
25A
|
0.415094
|
0.690476
|
220
|
Q2V
|
0.413223
|
0.833333
|
221
|
YLA
|
0.413223
|
0.719101
|
222
|
K2K
|
0.412844
|
0.807692
|
223
|
8Q2
|
0.411765
|
0.663158
|
224
|
KYB
|
0.411215
|
0.777778
|
225
|
A3R
|
0.411215
|
0.709302
|
226
|
ADQ
|
0.411215
|
0.694118
|
227
|
KMQ
|
0.410714
|
0.72619
|
228
|
48N
|
0.410256
|
0.72093
|
229
|
0XU
|
0.41
|
0.824324
|
230
|
GA7
|
0.408696
|
0.72619
|
231
|
K3H
|
0.40708
|
0.775
|
232
|
7D3
|
0.40625
|
0.643678
|
233
|
PAP
|
0.405941
|
0.678571
|
234
|
DQV
|
0.405172
|
0.702381
|
235
|
OVE
|
0.404255
|
0.662791
|
236
|
4UV
|
0.403509
|
0.697674
|
237
|
ALF ADP 3PG
|
0.403361
|
0.712644
|
238
|
AF3 ADP 3PG
|
0.403361
|
0.712644
|
239
|
Q2P
|
0.403226
|
0.802469
|
240
|
3AD
|
0.402299
|
0.783784
|
241
|
2BA
|
0.402062
|
0.682927
|
242
|
CMP
|
0.402062
|
0.691358
|
243
|
K38
|
0.401786
|
0.7375
|
244
|
NAD TDB
|
0.4
|
0.731707
|
245
|
7C5
|
0.4
|
0.731707
|
246
|
NAD IBO
|
0.4
|
0.731707
|
This union binding pocket(no: 1) in the query (biounit: 1xva.bio1) has 22 residues
|
No: |
Leader PDB |
Ligand |
Sequence Similarity
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This union binding pocket(no: 2) in the query (biounit: 1xva.bio1) has 22 residues
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No: |
Leader PDB |
Ligand |
Sequence Similarity
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This union binding pocket(no: 3) in the query (biounit: 1xva.bio1) has 22 residues
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No: |
Leader PDB |
Ligand |
Sequence Similarity
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This union binding pocket(no: 4) in the query (biounit: 1xva.bio1) has 22 residues
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No: |
Leader PDB |
Ligand |
Sequence Similarity
|
APoc FAQ
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