Receptor
PDB id Resolution Class Description Source Keywords
3GV9 1.8 Å EC: 3.5.2.6 AMPC BETA-LACTAMASE IN COMPLEX WITH FRAGMENT-BASED INHIBITOR ESCHERICHIA COLI HYDROLASE ANTIBIOTIC RESISTANCE PERIPLASM HYDROLASE-HYDROINHIBITOR COMPLEX
Ref.: DOCKING FOR FRAGMENT INHIBITORS OF AMPC BETA-LACTAM PROC.NATL.ACAD.SCI.USA V. 106 7455 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS B:362;
B:363;
B:365;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
GV9 A:1;
A:363;
A:364;
B:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 7.5 mM
185.2 C7 H7 N O3 S CC(=O...
PEG A:365;
B:364;
B:366;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
PO4 A:362;
B:2;
B:3;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
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: GV9; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GV9 1 1
2 F12 0.413043 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: GV9; Similar ligands found: 826
No: Ligand Similarity coefficient
1 AIN 0.9721
2 ZZ8 0.9669
3 4ME 0.9642
4 6XI 0.9632
5 PDC 0.9572
6 PRZ 0.9515
7 HLD 0.9508
8 42C 0.9495
9 DNC 0.9493
10 AKH 0.9440
11 Q6T 0.9434
12 RD4 0.9432
13 OW7 0.9431
14 CCB 0.9415
15 7NI 0.9414
16 ORO 0.9407
17 K2P 0.9406
18 DNF 0.9402
19 5WY 0.9398
20 O2A 0.9384
21 0GZ 0.9372
22 NID 0.9371
23 NCD 0.9349
24 1AL 0.9348
25 QPR 0.9341
26 7WR 0.9339
27 VNL 0.9322
28 C2Y 0.9315
29 8XQ 0.9312
30 GDE 0.9311
31 VXX 0.9297
32 FOT 0.9294
33 ICO 0.9290
34 OTD 0.9288
35 HNQ 0.9288
36 OXC 0.9287
37 692 0.9285
38 DOR 0.9281
39 3MB 0.9280
40 34D 0.9270
41 3IT 0.9268
42 GLC 0.9264
43 D1X 0.9263
44 2ZQ 0.9259
45 BDP 0.9255
46 PD2 0.9253
47 INE 0.9252
48 2MN 0.9250
49 2LY 0.9247
50 BGC 0.9246
51 7ZE 0.9245
52 AW5 0.9241
53 5RN 0.9238
54 NTM 0.9238
55 4CS 0.9226
56 JR2 0.9224
57 JKZ 0.9223
58 C9E 0.9222
59 3HB 0.9217
60 F31 0.9214
61 II6 0.9205
62 MHK 0.9204
63 12M 0.9204
64 V55 0.9201
65 HJP 0.9200
66 OVM 0.9197
67 OW4 0.9196
68 UNC 0.9193
69 QM1 0.9193
70 4M4 0.9192
71 EUG 0.9192
72 2D3 0.9185
73 NOJ 0.9184
74 9KH 0.9177
75 IJZ 0.9176
76 OVV 0.9175
77 G3F 0.9171
78 HQ9 0.9170
79 OMD 0.9170
80 8S0 0.9158
81 3HA 0.9154
82 Z5P 0.9152
83 6DP 0.9152
84 URC 0.9152
85 PXL 0.9151
86 GAB 0.9149
87 GLY PRO 0.9148
88 GTQ 0.9145
89 8VN 0.9141
90 3NT 0.9138
91 4HM 0.9134
92 LGC 0.9131
93 DBH 0.9130
94 FE DB1 0.9129
95 NFQ 0.9126
96 M0Q 0.9124
97 GCS 0.9123
98 YSO 0.9123
99 3F0 0.9122
100 45L 0.9121
101 6CS 0.9121
102 M2K 0.9121
103 512 0.9119
104 V6F 0.9119
105 FBG 0.9118
106 NLA 0.9117
107 KFH 0.9116
108 KIB 0.9115
109 7I2 0.9114
110 AJ2 0.9113
111 DHK 0.9113
112 7VS 0.9113
113 8G0 0.9108
114 RXA 0.9105
115 M5K 0.9105
116 MWP 0.9104
117 2AL 0.9104
118 UAN 0.9104
119 GUN 0.9104
120 53C 0.9102
121 3R6 0.9100
122 3AB 0.9099
123 FGZ 0.9096
124 NQ 0.9093
125 M4E 0.9093
126 BRT 0.9092
127 SKM 0.9091
128 8GK 0.9088
129 4MU 0.9088
130 AQO 0.9082
131 TWO 0.9079
132 AY4 0.9079
133 XQK 0.9079
134 92P 0.9074
135 VK3 0.9073
136 LSA 0.9072
137 R8S 0.9071
138 0F9 0.9071
139 0N7 0.9069
140 5M0 0.9069
141 1X7 0.9069
142 5WX 0.9069
143 TRC 0.9069
144 FBU 0.9068
145 HLZ 0.9068
146 54G 0.9067
147 C2U 0.9067
148 S76 0.9065
149 WCE 0.9064
150 6R8 0.9062
151 SXS 0.9061
152 EV0 0.9061
153 9TZ 0.9060
154 7HQ 0.9060
155 DHB 0.9058
156 HQD 0.9057
157 4AA 0.9057
158 CHB 0.9057
159 5RG 0.9057
160 AH8 0.9054
161 F0J 0.9053
162 P4B 0.9053
163 EOL 0.9050
164 0GY 0.9049
165 DBJ 0.9049
166 JLZ 0.9047
167 XQG 0.9046
168 GAL 0.9045
169 5HN 0.9044
170 28N 0.9043
171 NNO 0.9043
172 TVP 0.9042
173 EVA 0.9041
174 Q24 0.9041
175 BHA 0.9039
176 4NC 0.9036
177 9DG 0.9035
178 D07 0.9035
179 4HC 0.9034
180 GCB 0.9034
181 A13 0.9033
182 TSR 0.9032
183 1Z8 0.9031
184 AS3 0.9027
185 NVU 0.9027
186 FLC 0.9025
187 SRO 0.9024
188 GYE 0.9024
189 4KL 0.9021
190 P9P 0.9021
191 DRL 0.9021
192 I3A 0.9020
193 GCU 0.9020
194 0LH 0.9019
195 4A3 0.9019
196 4TU 0.9018
197 5MK 0.9018
198 MJ2 0.9018
199 209 0.9017
200 MEW 0.9016
201 INO 0.9016
202 QAT 0.9016
203 LI6 0.9015
204 15L 0.9014
205 8GC 0.9014
206 3BZ 0.9014
207 FHB 0.9014
208 H7Y 0.9013
209 TIU 0.9012
210 PE0 0.9012
211 BK9 0.9011
212 3FH 0.9009
213 9KT 0.9008
214 SOR 0.9008
215 2A7 0.9007
216 APZ 0.9006
217 LDR 0.9004
218 3HM 0.9004
219 5OB 0.9004
220 K5W 0.9004
221 1P3 0.9004
222 290 0.9004
223 AOR 0.9004
224 6BL 0.9003
225 CWS 0.9002
226 TRA 0.9001
227 IAC 0.9000
228 4AV 0.8998
229 TEP 0.8997
230 IPZ 0.8997
231 ONR 0.8996
232 55D 0.8996
233 IHB 0.8996
234 TTY 0.8995
235 QBK 0.8995
236 52C 0.8995
237 CIT 0.8994
238 AZ8 0.8994
239 ZME 0.8991
240 EA1 0.8990
241 FA6 0.8990
242 OVP 0.8990
243 HHA 0.8990
244 ES0 0.8990
245 GTR 0.8989
246 FP1 0.8988
247 FXH 0.8988
248 Q88 0.8988
249 FA3 0.8987
250 9TW 0.8986
251 AZA 0.8984
252 XAZ 0.8984
253 AHR 0.8984
254 12B 0.8981
255 ICT 0.8978
256 PZI 0.8977
257 SJ5 0.8977
258 6NT 0.8976
259 KUF 0.8976
260 2HO 0.8976
261 MQB 0.8976
262 AZG 0.8976
263 ODO 0.8973
264 3MG 0.8972
265 9MG 0.8972
266 MYJ 0.8972
267 1FF 0.8970
268 6AP 0.8968
269 X8D 0.8968
270 SHG 0.8967
271 GLY ASP 0.8966
272 9AP 0.8966
273 BE2 0.8965
274 141 0.8965
275 EYK 0.8964
276 M1H 0.8964
277 67X 0.8962
278 AZ9 0.8961
279 LZM 0.8960
280 SAL 0.8957
281 8TX 0.8956
282 DIE 0.8955
283 PXM 0.8955
284 HQJ 0.8955
285 1F1 0.8955
286 091 0.8954
287 XEN 0.8954
288 YH7 0.8953
289 93K 0.8953
290 MUA 0.8953
291 N3W 0.8952
292 2HU 0.8951
293 DBX 0.8951
294 AN0 0.8951
295 42A 0.8951
296 FA0 0.8948
297 NTZ 0.8948
298 HHT 0.8947
299 CFP 0.8947
300 UEG 0.8947
301 4XV 0.8946
302 8WQ 0.8945
303 M5H 0.8944
304 0W8 0.8943
305 3M0 0.8943
306 82I 0.8942
307 DX4 0.8942
308 8WT 0.8942
309 0HO 0.8942
310 XAN 0.8941
311 JFJ 0.8941
312 MO8 0.8941
313 DIU 0.8940
314 B55 0.8940
315 SHA 0.8938
316 GZL 0.8937
317 H33 0.8936
318 6LW 0.8935
319 7ME 0.8934
320 IGA 0.8934
321 0P6 0.8933
322 K3Y 0.8933
323 6GU 0.8933
324 IFL 0.8933
325 7FF 0.8931
326 CTS 0.8931
327 3NY 0.8931
328 2D0 0.8930
329 8WO 0.8930
330 7MU 0.8928
331 1QP 0.8927
332 X09 0.8927
333 8WZ 0.8926
334 PEY 0.8926
335 261 0.8925
336 N8Y 0.8924
337 6OT 0.8924
338 2FY 0.8924
339 0HN 0.8922
340 UFV 0.8921
341 TSS 0.8920
342 IV2 0.8920
343 1LM 0.8919
344 15N 0.8918
345 ZYR 0.8918
346 75K 0.8918
347 GOX 0.8918
348 CWM 0.8915
349 FRU 0.8914
350 8HC 0.8913
351 ASC 0.8912
352 LT8 0.8912
353 5RO 0.8912
354 60Q 0.8911
355 8CM 0.8911
356 0JD 0.8911
357 24W 0.8909
358 PEZ 0.8909
359 CKU 0.8909
360 L5V 0.8908
361 QMS 0.8907
362 463 0.8907
363 UFO 0.8906
364 2ZM 0.8904
365 ZZ3 0.8902
366 1XM 0.8899
367 MS9 0.8899
368 I6G 0.8897
369 5JQ 0.8897
370 4XS 0.8897
371 SR4 0.8895
372 BZ3 0.8895
373 A2F 0.8894
374 7CT 0.8894
375 JPZ 0.8894
376 JBH 0.8894
377 KT7 0.8893
378 5CU 0.8893
379 N5J 0.8892
380 JBK 0.8892
381 BEA 0.8891
382 P3K 0.8891
383 ASO 0.8890
384 6J9 0.8889
385 1SQ 0.8887
386 JTH 0.8887
387 8VE 0.8886
388 1LQ 0.8885
389 HA5 0.8884
390 1NP 0.8883
391 SX1 0.8883
392 XHP 0.8883
393 6VD 0.8882
394 ALA LEU 0.8881
395 J9Q 0.8881
396 49O 0.8880
397 2F6 0.8879
398 51R 0.8879
399 GOG 0.8879
400 CFF 0.8879
401 DOB 0.8879
402 F69 0.8878
403 B62 0.8877
404 329 0.8876
405 KBB 0.8876
406 K3Q 0.8874
407 5OF 0.8873
408 SVD 0.8872
409 NGO 0.8869
410 E35 0.8868
411 LZ2 0.8867
412 2H5 0.8867
413 226 0.8866
414 3Z8 0.8865
415 HA7 0.8865
416 BTY 0.8864
417 4M0 0.8864
418 1XA 0.8862
419 3AL 0.8860
420 2TQ 0.8860
421 IOS 0.8859
422 TLA 0.8858
423 3OC 0.8857
424 3R9 0.8856
425 5NI 0.8855
426 57O 0.8853
427 AM1 0.8853
428 B2J 0.8852
429 MZB 0.8852
430 J9T 0.8851
431 FLV 0.8851
432 DQU 0.8851
433 44V 0.8850
434 KBG 0.8849
435 069 0.8848
436 495 0.8847
437 RM1 0.8846
438 HIS 0.8845
439 30G 0.8845
440 AX3 0.8845
441 X05 0.8844
442 G5V 0.8844
443 4A5 0.8843
444 GTL 0.8842
445 FYU 0.8841
446 M3Q 0.8840
447 KIA 0.8840
448 4YS 0.8840
449 3A9 0.8839
450 GLT 0.8838
451 2SX 0.8838
452 TTL 0.8838
453 IBM 0.8837
454 A7W 0.8836
455 5NS 0.8836
456 61M 0.8835
457 23J 0.8833
458 MT8 0.8833
459 MNP 0.8833
460 ALA PRO 0.8833
461 5SG 0.8833
462 FBW 0.8832
463 4ZC 0.8832
464 MBG 0.8832
465 R20 0.8831
466 DA4 0.8831
467 3MA 0.8830
468 E1T 0.8830
469 VOH 0.8829
470 MT0 0.8829
471 5NU 0.8828
472 G2F 0.8828
473 149 0.8828
474 8XL 0.8827
475 JKE 0.8827
476 NMJ 0.8825
477 8IG 0.8825
478 O72 0.8825
479 ES1 0.8824
480 BOA 0.8823
481 CN0 0.8822
482 4Z4 0.8821
483 0FK 0.8821
484 TQU 0.8820
485 MT5 0.8818
486 ATH 0.8818
487 GM7 0.8818
488 NIG 0.8816
489 6ME 0.8816
490 KP6 0.8815
491 NQM 0.8814
492 DIN 0.8813
493 6NI 0.8813
494 0FO 0.8811
495 BMA 0.8810
496 YTX 0.8810
497 PHT 0.8810
498 ENL 0.8809
499 GJS 0.8809
500 GZ8 0.8809
501 ABI 0.8809
502 2FQ 0.8808
503 XCZ 0.8808
504 MB1 0.8808
505 XX2 0.8807
506 23A 0.8805
507 AKG 0.8804
508 N2Z 0.8800
509 BCP 0.8800
510 5IQ 0.8800
511 SWA 0.8799
512 GTZ 0.8798
513 3HP 0.8798
514 PHH 0.8797
515 LYL 0.8796
516 PX7 0.8795
517 CDV 0.8795
518 LNR 0.8795
519 NOY 0.8793
520 54X 0.8792
521 ADK 0.8791
522 3ID 0.8791
523 LCN 0.8790
524 5NE 0.8790
525 LDP 0.8789
526 L99 0.8787
527 7WV 0.8787
528 HMU 0.8786
529 GLA 0.8784
530 1P7 0.8783
531 12Q 0.8783
532 DPZ 0.8783
533 4XH 0.8783
534 97T 0.8780
535 AME 0.8780
536 JB8 0.8779
537 2DR 0.8778
538 7HP 0.8777
539 CH9 0.8777
540 4SX 0.8777
541 QX4 0.8775
542 3Z7 0.8775
543 GCO 0.8775
544 OA3 0.8775
545 OTW 0.8774
546 49N 0.8773
547 0CU 0.8772
548 SKA 0.8771
549 DFB 0.8771
550 FA1 0.8771
551 5XC 0.8771
552 B60 0.8770
553 NDM 0.8769
554 3DO 0.8769
555 DMD 0.8768
556 HZQ 0.8768
557 293 0.8768
558 5JL 0.8768
559 X0V 0.8767
560 DCO 0.8766
561 HQT 0.8766
562 HH8 0.8765
563 BPU 0.8764
564 7UC 0.8764
565 NGT 0.8764
566 GCV 0.8763
567 MOK 0.8762
568 PYQ 0.8760
569 YQA 0.8760
570 NGW 0.8760
571 4FH 0.8759
572 3XX 0.8757
573 DQA 0.8755
574 PFB 0.8755
575 ADA 0.8755
576 LKA 0.8755
577 9PY 0.8753
578 GCW 0.8753
579 6TZ 0.8752
580 37T 0.8752
581 QAS 0.8751
582 G4D 0.8750
583 K17 0.8750
584 10L 0.8750
585 KLW 0.8750
586 1U1 0.8750
587 7W1 0.8749
588 44W 0.8749
589 ARP 0.8748
590 1GN 0.8748
591 HH5 0.8748
592 JUG 0.8747
593 3RI 0.8746
594 X8Z 0.8745
595 IFP 0.8744
596 HPA 0.8743
597 N7P 0.8743
598 2AK 0.8743
599 MVN 0.8743
600 1A7 0.8742
601 3DM 0.8742
602 HX3 0.8742
603 2FG 0.8742
604 ADE 0.8742
605 SYR 0.8741
606 5QX 0.8739
607 G3E 0.8739
608 4SV 0.8738
609 9DA 0.8737
610 1XN 0.8735
611 HQY 0.8735
612 OHP 0.8735
613 MFU 0.8735
614 ES6 0.8735
615 G1O 0.8734
616 FB1 0.8731
617 2XX 0.8730
618 9HX 0.8729
619 GIM 0.8729
620 HMH 0.8728
621 6M1 0.8728
622 PM6 0.8728
623 5Q0 0.8727
624 M1E 0.8727
625 LAO 0.8727
626 BP1 0.8726
627 39U 0.8726
628 FBT 0.8724
629 64C 0.8724
630 ZWZ 0.8724
631 TBS 0.8722
632 MRW 0.8720
633 MAQ 0.8719
634 A9O 0.8718
635 KYA 0.8715
636 CKA 0.8715
637 ZZT 0.8714
638 SF6 0.8713
639 KKN 0.8712
640 L7T 0.8712
641 KTA 0.8712
642 M1Z 0.8710
643 7WA 0.8710
644 TOF 0.8710
645 6MP 0.8709
646 SOE 0.8709
647 7MH 0.8708
648 M6Z 0.8707
649 JND 0.8706
650 DEE 0.8706
651 MAN 0.8705
652 3C2 0.8704
653 GT0 0.8704
654 LFR 0.8702
655 3U4 0.8701
656 FDB 0.8700
657 GIO 0.8700
658 XXP 0.8699
659 B57 0.8699
660 GLO 0.8699
661 IFM 0.8698
662 9FL 0.8696
663 MVL 0.8695
664 APS 0.8694
665 7MX 0.8694
666 E7Z 0.8694
667 M6N 0.8693
668 505 0.8692
669 KDO 0.8691
670 N7I 0.8690
671 EKZ 0.8689
672 OCH 0.8688
673 6F0 0.8687
674 1DW 0.8686
675 GRE 0.8685
676 46P 0.8685
677 F81 0.8684
678 JZ3 0.8683
679 HXX 0.8682
680 JDN 0.8682
681 7B4 0.8682
682 GIV 0.8682
683 2EC 0.8680
684 KJU 0.8680
685 H42 0.8679
686 PFL 0.8678
687 RIB 0.8677
688 SLC 0.8677
689 YIO 0.8676
690 3C1 0.8676
691 ALL 0.8676
692 QIC 0.8676
693 5WU 0.8675
694 A29 0.8673
695 TFU 0.8673
696 COU 0.8673
697 SBK 0.8672
698 CFA 0.8672
699 K6X 0.8668
700 FDK 0.8667
701 SFU 0.8667
702 AHN 0.8667
703 39A 0.8664
704 K32 0.8663
705 1IT 0.8662
706 PPK 0.8662
707 FBV 0.8661
708 TZE 0.8661
709 3SK 0.8660
710 X6X 0.8659
711 5XB 0.8657
712 9FE 0.8657
713 KGK 0.8655
714 ES4 0.8655
715 M1A 0.8654
716 SLS 0.8654
717 5VJ 0.8654
718 9ZE 0.8653
719 XYL 0.8653
720 TRP 0.8651
721 N8P 0.8650
722 42J 0.8650
723 1WD 0.8650
724 2HC 0.8649
725 7VJ 0.8647
726 SF9 0.8646
727 G8M 0.8646
728 680 0.8645
729 VNJ 0.8644
730 QX2 0.8643
731 AFR 0.8643
732 PHE 0.8641
733 LT2 0.8640
734 9CA 0.8640
735 173 0.8639
736 DII 0.8639
737 6W6 0.8639
738 KOJ 0.8639
739 9UL 0.8637
740 7B3 0.8635
741 K22 0.8634
742 BPY 0.8632
743 67N 0.8631
744 BCK 0.8629
745 JAW 0.8629
746 2CG 0.8627
747 T6C 0.8627
748 61O 0.8627
749 CLZ 0.8626
750 39O 0.8624
751 ZON 0.8624
752 EMZ 0.8623
753 NPA 0.8622
754 PSV 0.8622
755 5B1 0.8622
756 3PO 0.8621
757 KJY 0.8621
758 WOO 0.8620
759 BTE 0.8617
760 W8G 0.8617
761 DHQ 0.8615
762 2AQ 0.8614
763 878 0.8614
764 1WC 0.8610
765 DMJ 0.8609
766 BGT 0.8609
767 EGR 0.8607
768 1X8 0.8605
769 XSP 0.8604
770 2PG 0.8604
771 LT3 0.8601
772 EJZ 0.8601
773 4FS 0.8599
774 HTP 0.8596
775 DGL 0.8596
776 J01 0.8596
777 ZB1 0.8595
778 C2A 0.8593
779 DTR 0.8592
780 NDH 0.8592
781 J9W 0.8592
782 I7A 0.8592
783 CTL 0.8592
784 5GU 0.8591
785 NAG 0.8591
786 CCV 0.8590
787 KIF 0.8589
788 TNF 0.8586
789 4JT 0.8580
790 FIX 0.8578
791 MLE 0.8576
792 TNL 0.8575
793 AJY 0.8574
794 TAG 0.8571
795 XXG 0.8571
796 AZF 0.8571
797 RPQ 0.8570
798 KDF 0.8570
799 A9P 0.8570
800 9FQ 0.8569
801 3WA 0.8568
802 GLU 0.8566
803 ISN 0.8566
804 4XR 0.8565
805 6RQ 0.8564
806 ES5 0.8564
807 6UA 0.8563
808 03V 0.8561
809 AJV 0.8561
810 ROI 0.8560
811 DHY 0.8559
812 OXZ 0.8549
813 IPB 0.8546
814 ADZ 0.8544
815 BNT 0.8544
816 GXL 0.8536
817 TBP 0.8535
818 JIF 0.8530
819 ES7 0.8528
820 VYM 0.8528
821 SYV 0.8526
822 KYD 0.8525
823 R8A 0.8519
824 JXZ 0.8514
825 8H8 0.8510
826 H6B 0.8503
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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