Receptor
PDB id Resolution Class Description Source Keywords
4kz8 2.28 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE IN COMPLEX WITH FRA (1,3-DIETHYL-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE) ESCHERICHIA COLI AMPC BETA-LACTAMASE CLASS C HYDROLASE CEPHALOSPORINASE HHYDROLASE INHIBITOR COMPLEX
Ref.: INCREASING CHEMICAL SPACE COVERAGE BY COMBINING EMP AND COMPUTATIONAL FRAGMENT SCREENS. ACS CHEM.BIOL. V. 9 1528 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:403;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
1U6 A:402;
B:401;
B:402;
A:401;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ki = 1.6 mM
200.258 C8 H12 N2 O2 S CCN1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PI5 1.49 Å EC: 3.5.2.6 STRUCTURE OF N289A MUTANT OF AMPC IN COMPLEX WITH SM2, CARBOXYPHENYLGLYCYLBORONIC ACID BEARING THE CEPHALOTHIN R1 S IDE CHAIN ESCHERICHIA COLI CRYSTAL STRUCTURE ENZYME INHIBITOR COMPLEX BETA-LACTAMASEHYDROLASE
Ref.: THERMODYNAMIC CYCLE ANALYSIS AND INHIBITOR DESIGN AGAINST BETA-LACTAMASE. BIOCHEMISTRY V. 42 14483 2003
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1L2S Ki = 26 uM STC C11 H8 Cl N O4 S2 c1cc(ccc1N....
2 4OLD - 2UZ C7 H10 N2 O4 S C1C=C(NC(S....
3 4JXW Ki = 19 uM 1MW C15 H15 N O6 S2 c1cc(ccc1C....
4 4KZ8 Ki = 1.6 mM 1U6 C8 H12 N2 O2 S CCN1C(=O)C....
5 2HDU Ki = 5 mM F12 C7 H7 N O3 S CC(=O)Nc1c....
6 1KVL - KCP C14 H16 N2 O5 S2 CC1=C(N[C@....
7 1PI5 Ki = 17 nM SM2 C14 H14 B N O5 S B([C@H](c1....
8 2R9W Ki = 8 uM 23C C22 H15 N O6 c1ccc2c(c1....
9 2PU2 Ki = 37 uM DK2 C18 H13 N O7 c1cc(ccc1C....
10 1XGJ Ki = 1 uM HTC C12 H9 N O7 S2 c1cc(c(cc1....
11 1PI4 Ki = 37 nM SM3 C13 H14 B N O3 S B([C@H](c1....
12 1XGI Ki = 14 uM NST C11 H8 N2 O6 S2 c1cc(cc(c1....
13 3GV9 Ki = 7.5 mM GV9 C7 H7 N O3 S CC(=O)Nc1c....
14 1O07 - MXG C24 H36 N6 O9 S C[C@@H](C(....
15 3GTC Ki = 4.5 mM GTC C9 H13 N3 O2 S C1CC[C@H](....
16 4KZ3 Ki = 1.7 mM 1U1 C5 H4 Cl N O4 S2 c1c(c(sc1C....
17 4KZ7 Ki = 3.2 mM 1U5 C10 H14 O4 C[C@]12CC[....
18 2HDR Ki = 19 mM 4A3 C7 H7 N O3 c1cc(c(cc1....
19 1LL9 - AXL C16 H21 N3 O5 S CC1([C@@H]....
20 4JXS Ki = 18 uM 18U C13 H11 N O6 S2 c1cc(ccc1C....
21 2R9X Ki = 14 uM WH6 C23 H17 N O6 c1ccc2c(c1....
22 4KZ4 Ki = 0.07 mM 4A1 C10 H13 N O4 S CCCS(=O)(=....
23 6T5Y ic50 = 7.6 uM C8V C13 H23 N5 O7 S C1C[C@H](C....
24 4KZB Ki = 1.3 mM NZ3 C10 H13 N O4 S C[C@H](C(=....
25 1L0G - GLC FRU n/a n/a
26 1MY8 Ki = 0.035 uM SM3 C13 H14 B N O3 S B([C@H](c1....
27 2HDS Ki = 10 mM 4MB C8 H9 N O4 S CS(=O)(=O)....
28 4OKP - 2V0 C8 H12 N2 O4 S CC1=C(N[C@....
29 3GRJ Ki = 1 mM G14 C10 H8 N2 O2 c1ccc(cc1)....
30 4KZ5 Ki < 10 mM 1U3 C13 H11 Cl N2 O4 Cc1c(c(no1....
31 3GVB Ki = 2.6 mM 3GV C11 H11 N O4 c1ccc(c(c1....
32 4KZ9 - 1U7 C15 H21 N O c1ccc(cc1)....
33 3GR2 Ki = 3 mM GF4 C7 H10 N6 O CCC1=C(NN(....
34 3GSG Ki = 2 mM GF1 C12 H15 N O4 C[C@@H](C(....
35 6TPM ic50 = 6.61 uM MK7 C12 H22 N4 O6 S C1C[C@H](N....
36 4JXV Ki = 31 uM 1MU C14 H13 N O6 S2 c1cc(ccc1C....
37 2HDQ Ki = 40 mM C21 C5 H4 O2 S c1cc(sc1)C....
38 4KZ6 Ki = 0.8 mM ZB6 C10 H17 N O3 S C[C@@H]1CC....
39 3GQZ Ki = 6.7 mM GF7 C13 H13 N O4 CC(=O)c1cc....
40 5JOC - CIT C6 H8 O7 C(C(=O)O)C....
41 4KZA Ki = 0.2 mM NZ9 C8 H9 N O4 S2 c1csc(c1S(....
42 6PWM - GLY C2 H5 N O2 C(C(=O)O)N
43 6PWL - GLY C2 H5 N O2 C(C(=O)O)N
44 6KA5 - 1S7 C15 H16 N2 O5 S2 CO[C@@](C=....
45 5K1F Ki = 16.2 uM IMP C10 H13 N4 O8 P c1nc2c(n1[....
46 5K1D Ki = 20.8 uM 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1U6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1U6 1 1
2 NEN 0.4 0.622642
Similar Ligands (3D)
Ligand no: 1; Ligand: 1U6; Similar ligands found: 847
No: Ligand Similarity coefficient
1 KJY 0.9539
2 PFB 0.9483
3 G6D 0.9434
4 25W 0.9432
5 3DM 0.9405
6 3MG 0.9405
7 GLC 0.9400
8 DIE 0.9386
9 2EC 0.9361
10 X05 0.9355
11 PXL 0.9353
12 HXX 0.9351
13 CTS 0.9351
14 7B3 0.9339
15 PXM 0.9339
16 ISE 0.9337
17 F5B 0.9330
18 4HM 0.9330
19 NOY 0.9322
20 BGC 0.9321
21 IFL 0.9319
22 EUG 0.9317
23 4M4 0.9317
24 948 0.9317
25 XYP 0.9315
26 NOJ 0.9307
27 DQN 0.9301
28 G5V 0.9299
29 D3M 0.9285
30 5CL 0.9282
31 UQ 0.9279
32 JXN 0.9274
33 LCN 0.9272
34 INS 0.9265
35 ASC 0.9260
36 G2F 0.9258
37 GT0 0.9257
38 RAM 0.9255
39 UEG 0.9254
40 HFB 0.9250
41 V55 0.9245
42 82I 0.9244
43 3DO 0.9232
44 EXO 0.9231
45 GLT 0.9229
46 R8V 0.9226
47 F4Z 0.9224
48 2CQ 0.9222
49 ZB1 0.9222
50 G3E 0.9214
51 F3B 0.9212
52 HQT 0.9212
53 1P7 0.9211
54 0FN 0.9210
55 G1O 0.9209
56 8S0 0.9208
57 GXY 0.9208
58 GAL 0.9206
59 150 0.9205
60 X09 0.9203
61 LXC 0.9200
62 ASO 0.9197
63 BNT 0.9196
64 1WG 0.9190
65 39A 0.9187
66 GOX 0.9185
67 EQT 0.9185
68 CFF 0.9184
69 37T 0.9182
70 0W8 0.9182
71 BDP 0.9180
72 32X 0.9177
73 LGC 0.9175
74 9MG 0.9174
75 XXR 0.9174
76 45C 0.9173
77 ADZ 0.9170
78 5B1 0.9168
79 SJ5 0.9167
80 JUG 0.9167
81 LT2 0.9167
82 TC7 0.9161
83 06B 0.9157
84 7W4 0.9156
85 M0W 0.9154
86 VOH 0.9153
87 AJV 0.9151
88 E7Z 0.9148
89 5WV 0.9146
90 F0J 0.9143
91 BBF 0.9139
92 WOO 0.9135
93 DMD 0.9134
94 1KP 0.9133
95 AZ9 0.9132
96 MT5 0.9130
97 7W1 0.9129
98 AEH 0.9125
99 FE DB1 0.9124
100 KBG 0.9123
101 PCI 0.9122
102 KJU 0.9122
103 3RK 0.9122
104 KJH 0.9120
105 G3F 0.9120
106 HHA 0.9118
107 DFB 0.9117
108 12Q 0.9116
109 4Z4 0.9116
110 HQD 0.9115
111 3HA 0.9114
112 DBH 0.9114
113 3IT 0.9114
114 I1N 0.9112
115 7VS 0.9111
116 GCS 0.9111
117 JBK 0.9110
118 KKN 0.9110
119 4ZC 0.9109
120 GYE 0.9107
121 7B4 0.9107
122 SRO 0.9106
123 B53 0.9105
124 3F0 0.9104
125 ISN 0.9102
126 DBJ 0.9098
127 BCF 0.9096
128 SE2 0.9096
129 KIB 0.9095
130 KIA 0.9095
131 GZL 0.9094
132 TEP 0.9092
133 GTQ 0.9091
134 J5I 0.9090
135 HLZ 0.9089
136 EOL 0.9089
137 3M0 0.9088
138 3PF 0.9087
139 NTZ 0.9086
140 IBF 0.9086
141 ES7 0.9083
142 FSW 0.9083
143 DHQ 0.9082
144 PRF 0.9081
145 COU 0.9081
146 XYS 0.9080
147 ALL 0.9080
148 FUL 0.9079
149 3ID 0.9078
150 7HQ 0.9077
151 UAN 0.9076
152 SOE 0.9076
153 MEW 0.9075
154 4AA 0.9074
155 TTY 0.9071
156 94B 0.9070
157 JXW 0.9070
158 GLF 0.9069
159 CN0 0.9069
160 4FS 0.9069
161 MWP 0.9069
162 JXZ 0.9068
163 QWN 0.9066
164 54G 0.9066
165 SHG 0.9065
166 42A 0.9065
167 Q88 0.9065
168 F31 0.9064
169 ES5 0.9059
170 QX2 0.9058
171 5WX 0.9057
172 KT7 0.9057
173 5M0 0.9056
174 OCH 0.9055
175 2AQ 0.9055
176 8ZE 0.9055
177 PYQ 0.9055
178 M1H 0.9054
179 5QX 0.9052
180 B57 0.9050
181 5RG 0.9050
182 7ME 0.9049
183 TTL 0.9048
184 GIM 0.9048
185 RM4 0.9048
186 03V 0.9046
187 3Z7 0.9046
188 AFR 0.9045
189 PQK 0.9045
190 SKA 0.9043
191 I3A 0.9042
192 3R6 0.9041
193 A7W 0.9041
194 MUA 0.9040
195 9TZ 0.9040
196 IFM 0.9040
197 BMA 0.9039
198 MNM 0.9038
199 GRE 0.9038
200 MR1 0.9038
201 3XX 0.9035
202 67N 0.9035
203 5GU 0.9034
204 PE0 0.9033
205 D48 0.9030
206 B60 0.9030
207 PFL 0.9029
208 MAN 0.9029
209 AZF 0.9029
210 QWW 0.9028
211 RPQ 0.9027
212 BCU 0.9026
213 86J 0.9025
214 MVL 0.9024
215 0P6 0.9022
216 23A 0.9022
217 NQ 0.9020
218 8CM 0.9020
219 VK3 0.9018
220 Q24 0.9017
221 7VJ 0.9017
222 DIN 0.9016
223 6F0 0.9013
224 5MK 0.9013
225 5QY 0.9013
226 RM1 0.9013
227 KUF 0.9013
228 6CS 0.9012
229 CWS 0.9012
230 SX1 0.9011
231 H7Y 0.9009
232 H42 0.9008
233 0N7 0.9007
234 AQO 0.9007
235 AZ8 0.9006
236 BRV 0.9002
237 K3Q 0.9002
238 GCU 0.9002
239 TOF 0.8998
240 OXZ 0.8998
241 EA1 0.8997
242 N2I 0.8997
243 HTP 0.8997
244 FDB 0.8996
245 NDM 0.8995
246 5WY 0.8994
247 9KT 0.8992
248 4MU 0.8991
249 HLR 0.8990
250 RXA 0.8990
251 5RO 0.8990
252 3FH 0.8988
253 LZM 0.8988
254 2ZV 0.8987
255 PA1 0.8987
256 MZB 0.8986
257 F05 0.8985
258 MRW 0.8985
259 JBQ 0.8983
260 MAQ 0.8983
261 CTL 0.8982
262 6LW 0.8981
263 M1A 0.8980
264 0RW 0.8979
265 6M4 0.8979
266 3CU 0.8978
267 PQ0 0.8976
268 ZVO 0.8975
269 6M9 0.8975
270 FRU 0.8975
271 DRL 0.8973
272 M1E 0.8969
273 FCA 0.8968
274 64K 0.8967
275 6VD 0.8966
276 DMJ 0.8965
277 1LM 0.8964
278 1NP 0.8964
279 HQY 0.8964
280 3WA 0.8963
281 AEZ 0.8963
282 O72 0.8961
283 7ZE 0.8960
284 HJP 0.8959
285 4HC 0.8957
286 YSO 0.8956
287 SAL 0.8954
288 PHH 0.8953
289 0XT 0.8953
290 BZX 0.8952
291 8XQ 0.8952
292 VNL 0.8951
293 XQ0 0.8951
294 QXW 0.8951
295 NDH 0.8949
296 5RN 0.8949
297 LYL 0.8948
298 KOJ 0.8947
299 AHR 0.8945
300 5Q0 0.8945
301 1SQ 0.8945
302 5IQ 0.8944
303 BE2 0.8943
304 HZQ 0.8942
305 MT0 0.8941
306 GCW 0.8940
307 UNC 0.8939
308 5OB 0.8939
309 M5K 0.8938
310 5SG 0.8937
311 2ZQ 0.8936
312 DX3 0.8936
313 HNQ 0.8935
314 1LQ 0.8935
315 HKD 0.8934
316 FOT 0.8934
317 4YS 0.8934
318 FH2 0.8933
319 JBH 0.8933
320 ICO 0.8933
321 ES1 0.8931
322 9EW 0.8930
323 MO8 0.8929
324 2HQ 0.8929
325 P3K 0.8927
326 K17 0.8925
327 5XC 0.8925
328 BK9 0.8925
329 6AI 0.8925
330 L7T 0.8924
331 0LH 0.8924
332 FBT 0.8924
333 PBR 0.8923
334 AJ2 0.8923
335 TSS 0.8923
336 DNF 0.8921
337 5WU 0.8920
338 FCB 0.8919
339 SWA 0.8919
340 EYK 0.8919
341 14O 0.8919
342 5MB 0.8917
343 BZ3 0.8917
344 TBS 0.8916
345 FDK 0.8916
346 ARA 0.8915
347 GOG 0.8913
348 LI6 0.8912
349 KFH 0.8911
350 ARB 0.8909
351 MFB 0.8908
352 H62 0.8908
353 12B 0.8906
354 JYB 0.8906
355 JND 0.8906
356 44W 0.8906
357 92K 0.8905
358 495 0.8903
359 2FQ 0.8903
360 5H1 0.8902
361 091 0.8902
362 95Z 0.8902
363 K5W 0.8901
364 1DW 0.8901
365 5NE 0.8901
366 5MI 0.8901
367 HX3 0.8898
368 CWM 0.8898
369 JAE 0.8897
370 GCB 0.8896
371 3Z8 0.8894
372 8WT 0.8893
373 N5J 0.8892
374 HH8 0.8891
375 GLA 0.8890
376 JPZ 0.8890
377 6M1 0.8890
378 FLV 0.8890
379 IJZ 0.8889
380 N8Y 0.8888
381 GSY 0.8888
382 2FG 0.8888
383 ES9 0.8887
384 NGO 0.8886
385 EVA 0.8886
386 ROI 0.8885
387 4NC 0.8884
388 AMG 0.8883
389 SWD 0.8883
390 2MN 0.8881
391 24W 0.8879
392 ES0 0.8877
393 F60 0.8877
394 SXS 0.8877
395 SYV 0.8877
396 329 0.8877
397 2H5 0.8876
398 XQG 0.8876
399 11S 0.8875
400 C2U 0.8875
401 2AK 0.8875
402 NAG 0.8875
403 2CK 0.8875
404 RB5 0.8873
405 6ME 0.8871
406 IGA 0.8870
407 B62 0.8868
408 XX3 0.8867
409 2GS 0.8867
410 GXL 0.8865
411 R9Y 0.8865
412 Q6T 0.8864
413 42C 0.8863
414 KGK 0.8863
415 I3C 0.8863
416 JKE 0.8862
417 ZWZ 0.8861
418 2XX 0.8861
419 SVN 0.8861
420 4XH 0.8860
421 SHA 0.8860
422 X8D 0.8860
423 FUC 0.8860
424 DGJ 0.8858
425 DEE 0.8856
426 DHB 0.8856
427 HMU 0.8855
428 HMH 0.8855
429 DPZ 0.8855
430 DBX 0.8852
431 3MA 0.8851
432 ADK 0.8851
433 GJP 0.8851
434 JBE 0.8849
435 44V 0.8847
436 MIG 0.8846
437 2K4 0.8846
438 GIO 0.8843
439 HT4 0.8842
440 RNS 0.8842
441 F81 0.8840
442 A2F 0.8839
443 OMD 0.8838
444 NDG 0.8836
445 1WD 0.8834
446 4RU 0.8833
447 FK1 0.8832
448 4YO 0.8831
449 IF7 0.8829
450 6AP 0.8828
451 5NU 0.8827
452 SVD 0.8827
453 YH7 0.8827
454 1P8 0.8826
455 226 0.8825
456 6BL 0.8825
457 EKZ 0.8825
458 GDL 0.8825
459 BZJ 0.8824
460 4SV 0.8824
461 MZG 0.8824
462 24B 0.8823
463 7NI 0.8823
464 UFO 0.8822
465 EN1 0.8821
466 QUZ 0.8821
467 BHO 0.8819
468 NGT 0.8819
469 LKA 0.8819
470 LNR 0.8818
471 L99 0.8818
472 X6X 0.8818
473 XBZ 0.8817
474 9LI 0.8817
475 290 0.8815
476 OTW 0.8814
477 G4D 0.8812
478 ES6 0.8812
479 4JQ 0.8812
480 QAT 0.8811
481 CFP 0.8811
482 FUD 0.8811
483 XHP 0.8810
484 P9P 0.8810
485 AKH 0.8810
486 0MK 0.8809
487 TM7 0.8809
488 MWM 0.8809
489 260 0.8809
490 MCT 0.8808
491 NID 0.8808
492 QOS 0.8807
493 2FY 0.8807
494 3U4 0.8806
495 ZZT 0.8806
496 BDF 0.8806
497 2AC 0.8805
498 AZG 0.8805
499 2YU 0.8803
500 2A9 0.8802
501 67X 0.8802
502 4JJ 0.8802
503 DQU 0.8802
504 SOR 0.8801
505 MBG 0.8801
506 NSP 0.8801
507 4ME 0.8801
508 5JC 0.8801
509 GAF 0.8800
510 OA3 0.8800
511 GUN 0.8800
512 IV2 0.8798
513 2KA 0.8798
514 GJS 0.8797
515 GM7 0.8796
516 4JT 0.8794
517 5CU 0.8793
518 64C 0.8792
519 9FL 0.8792
520 CBF 0.8792
521 MA3 0.8792
522 DX4 0.8792
523 141 0.8791
524 JU2 0.8791
525 PEY 0.8790
526 4ZE 0.8790
527 34A 0.8789
528 XYD 0.8789
529 M1Q 0.8789
530 4HO 0.8789
531 2MP 0.8788
532 15E 0.8788
533 GIV 0.8788
534 RIP 0.8788
535 AZA 0.8787
536 C2Y 0.8786
537 DOB 0.8786
538 7WV 0.8784
539 GCV 0.8784
540 FA0 0.8783
541 EJZ 0.8783
542 INE 0.8782
543 5MH 0.8782
544 XAN 0.8782
545 2LY 0.8782
546 NPY 0.8781
547 TH7 0.8781
548 DIU 0.8778
549 0FO 0.8778
550 9DG 0.8778
551 75K 0.8778
552 MYJ 0.8777
553 6RQ 0.8776
554 O2A 0.8776
555 BHA 0.8775
556 QX4 0.8774
557 MWJ 0.8774
558 9R5 0.8773
559 APZ 0.8773
560 MFU 0.8772
561 8NY 0.8770
562 XXP 0.8770
563 HQ9 0.8770
564 1XM 0.8769
565 4AN 0.8769
566 4CL 0.8768
567 43M 0.8768
568 0TU 0.8767
569 HA5 0.8767
570 TAG 0.8766
571 BEA 0.8766
572 27B 0.8766
573 NGW 0.8765
574 J9W 0.8764
575 CFI 0.8763
576 MMA 0.8762
577 HH5 0.8761
578 XX2 0.8760
579 A1U 0.8760
580 5NS 0.8759
581 JZ2 0.8759
582 URC 0.8757
583 27Y 0.8757
584 RHU 0.8757
585 TH0 0.8757
586 F9Y 0.8757
587 QBK 0.8755
588 1MC 0.8755
589 MT8 0.8755
590 0JD 0.8754
591 209 0.8753
592 6GU 0.8752
593 8H8 0.8752
594 ADE 0.8752
595 PYG 0.8752
596 M0Q 0.8751
597 4M0 0.8751
598 LDP 0.8751
599 QSB 0.8750
600 173 0.8750
601 YIO 0.8749
602 42J 0.8749
603 9TW 0.8748
604 8OZ 0.8748
605 BTE 0.8747
606 23J 0.8747
607 XDE 0.8745
608 F12 0.8745
609 ARW 0.8745
610 149 0.8745
611 QPR 0.8744
612 HPA 0.8744
613 ICP 0.8742
614 ARP 0.8742
615 NIZ 0.8740
616 FUF 0.8740
617 4TU 0.8740
618 ABV 0.8739
619 MS9 0.8739
620 H33 0.8738
621 D07 0.8737
622 8WO 0.8737
623 JFD 0.8737
624 CHB 0.8736
625 APS 0.8736
626 INO 0.8736
627 TWO 0.8735
628 0CU 0.8735
629 BOA 0.8734
630 6MP 0.8733
631 2BG 0.8733
632 MAG 0.8733
633 FYU 0.8732
634 BR9 0.8732
635 8GK 0.8731
636 Y8I 0.8731
637 B0D 0.8730
638 AOS 0.8730
639 3BU 0.8727
640 5FN 0.8727
641 QAS 0.8726
642 3NT 0.8726
643 OW4 0.8725
644 GYP 0.8724
645 IHB 0.8723
646 WBU 0.8722
647 B55 0.8722
648 57O 0.8722
649 TDR 0.8721
650 6MH 0.8720
651 1XN 0.8719
652 1X7 0.8719
653 7D2 0.8718
654 URF 0.8717
655 JIF 0.8717
656 XIY 0.8717
657 ES2 0.8717
658 GCO 0.8716
659 OVV 0.8715
660 5JQ 0.8714
661 4AV 0.8714
662 93K 0.8714
663 7HP 0.8713
664 ET2 0.8711
665 TLD 0.8711
666 NMJ 0.8710
667 GAB 0.8709
668 3MB 0.8709
669 4XV 0.8709
670 MXN 0.8708
671 2CM 0.8708
672 YQA 0.8707
673 9PY 0.8706
674 2HO 0.8705
675 BTY 0.8705
676 3CE 0.8704
677 FLM 0.8703
678 8VN 0.8701
679 FIX 0.8700
680 IFP 0.8700
681 LZ2 0.8700
682 7WA 0.8699
683 K6X 0.8699
684 TFU 0.8699
685 3HB 0.8698
686 ADA 0.8698
687 3GQ 0.8697
688 3MC 0.8697
689 MVN 0.8697
690 4VY 0.8696
691 9DA 0.8696
692 680 0.8696
693 3A9 0.8696
694 HHR 0.8696
695 PH2 0.8696
696 RJY 0.8695
697 1F1 0.8694
698 VGD 0.8694
699 4NG 0.8693
700 10L 0.8693
701 9HX 0.8692
702 3MH 0.8691
703 0HO 0.8691
704 8TX 0.8691
705 VNJ 0.8690
706 3BZ 0.8690
707 BP1 0.8689
708 DFU 0.8689
709 XM0 0.8688
710 CGB 0.8687
711 DUB 0.8686
712 LFR 0.8684
713 GNL 0.8684
714 18N 0.8684
715 KBB 0.8683
716 RIB 0.8683
717 T6C 0.8680
718 53C 0.8680
719 7CZ 0.8678
720 3C2 0.8678
721 I6G 0.8678
722 JTH 0.8676
723 717 0.8675
724 1GN 0.8675
725 8IG 0.8674
726 4A3 0.8674
727 GTR 0.8674
728 069 0.8673
729 DHK 0.8673
730 LOG 0.8671
731 ISZ 0.8670
732 OXC 0.8669
733 94N 0.8669
734 X0V 0.8669
735 15N 0.8669
736 45L 0.8668
737 NPO 0.8668
738 2MY 0.8667
739 IBM 0.8665
740 E7R 0.8665
741 6R8 0.8663
742 BM3 0.8660
743 9FE 0.8660
744 HA7 0.8660
745 L3Q 0.8660
746 GMN 0.8660
747 MBD 0.8659
748 FBM 0.8659
749 FXH 0.8658
750 GOO 0.8657
751 E3D 0.8656
752 ORO 0.8655
753 AH8 0.8654
754 3FA 0.8654
755 PRZ 0.8653
756 LSA 0.8652
757 FBV 0.8650
758 RH1 0.8648
759 7MH 0.8647
760 5JL 0.8646
761 CLZ 0.8646
762 2C9 0.8645
763 EGR 0.8645
764 FFP 0.8644
765 0HN 0.8643
766 2O6 0.8642
767 4XS 0.8642
768 1XX 0.8641
769 SRT 0.8640
770 ZXD 0.8639
771 KYD 0.8638
772 SF6 0.8636
773 KP6 0.8635
774 NVU 0.8635
775 NBG 0.8634
776 SFU 0.8634
777 Q7A 0.8634
778 0TR 0.8633
779 BCP 0.8633
780 PX7 0.8632
781 PDC 0.8631
782 4XR 0.8630
783 K32 0.8629
784 9ZE 0.8629
785 DNA 0.8628
786 FA1 0.8624
787 M5N 0.8622
788 4A5 0.8621
789 GF4 0.8620
790 2CL 0.8616
791 2ZM 0.8616
792 MSN 0.8615
793 TSR 0.8615
794 NTM 0.8614
795 TNX 0.8612
796 JZ1 0.8612
797 7WR 0.8610
798 KW8 0.8604
799 E7S 0.8602
800 RMN 0.8602
801 9KH 0.8600
802 JZ4 0.8596
803 NBZ 0.8595
804 35C 0.8595
805 REL 0.8591
806 J9T 0.8591
807 GDE 0.8589
808 PHE 0.8584
809 4PW 0.8583
810 DOR 0.8582
811 3C1 0.8581
812 JLZ 0.8580
813 ODO 0.8580
814 FB1 0.8580
815 PKU 0.8580
816 C2A 0.8579
817 SYA 0.8577
818 IPB 0.8576
819 KLW 0.8575
820 6NT 0.8573
821 BEN 0.8572
822 PHB 0.8569
823 RXR 0.8569
824 NCA 0.8567
825 1M2 0.8565
826 BEZ 0.8565
827 28N 0.8565
828 0R0 0.8565
829 2LP 0.8562
830 E35 0.8561
831 PHT 0.8558
832 7MK 0.8558
833 1LN 0.8557
834 PZI 0.8557
835 IDM 0.8554
836 IAC 0.8552
837 DNC 0.8549
838 JZ3 0.8548
839 NGA 0.8545
840 4P5 0.8545
841 Z5P 0.8538
842 ZZZ 0.8532
843 4CS 0.8530
844 6E8 0.8529
845 NIO 0.8521
846 SF9 0.8517
847 BAM 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PI5; Ligand: SM2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1pi5.bio2) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PI5; Ligand: SM2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1pi5.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PI5; Ligand: SM2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pi5.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
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