Receptor
PDB id Resolution Class Description Source Keywords
2HDS 1.16 Å EC: 3.5.2.6 AMPC BETA-LACTAMASE IN COMPLEX WITH 4-METHANESULFONYLAMINO B ACID ESCHERICHIA COLI K12 AMPC BETA-LACTAMASE FRAGMENT-BASED DRUG DESIGN HYDROLASE
Ref.: DECONSTRUCTING FRAGMENT-BASED INHIBITOR DISCOVERY NAT.CHEM.BIOL. V. 2 720 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4MB A:1601;
A:1602;
A:1603;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Ki = 10 mM
215.226 C8 H9 N O4 S CS(=O...
NA B:1501;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
PO4 A:1301;
B:1302;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
GLC FRU C:1;
 Invalid;
 none;
 submit data
340.281 n/a O=CC1...
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: 4MB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 4MB 1 1
2 GA6 0.520833 0.934783
Similar Ligands (3D)
Ligand no: 1; Ligand: 4MB; Similar ligands found: 551
No: Ligand Similarity coefficient
1 4NP 0.9992
2 PNP 0.9973
3 4NS 0.9922
4 2O8 0.9819
5 PPN 0.9629
6 1OS 0.9589
7 UA5 0.9548
8 88L 0.9534
9 0F3 0.9496
10 K4V 0.9461
11 EUE 0.9448
12 SYE 0.9438
13 4CM 0.9434
14 3W8 0.9419
15 BL0 0.9413
16 S0E 0.9398
17 9NB 0.9395
18 AAN 0.9387
19 ST3 0.9385
20 RNO 0.9378
21 2FX 0.9367
22 657 0.9365
23 5DS 0.9349
24 P9E 0.9349
25 SNO 0.9340
26 3VS 0.9326
27 AZM 0.9325
28 VC3 0.9320
29 6KT 0.9315
30 SKF 0.9303
31 5GT 0.9289
32 GO2 0.9287
33 EUH 0.9281
34 EYV 0.9275
35 Y3L 0.9268
36 7O4 0.9264
37 3VX 0.9255
38 3VQ 0.9254
39 GWM 0.9251
40 AES 0.9244
41 AM4 0.9243
42 3W6 0.9223
43 3W3 0.9221
44 LR5 0.9220
45 A7N 0.9219
46 HNT 0.9214
47 363 0.9210
48 TMG 0.9210
49 QIV 0.9202
50 4NZ 0.9200
51 ZEC 0.9194
52 FBF 0.9185
53 3AE 0.9185
54 N4E 0.9183
55 ZZA 0.9182
56 MP5 0.9181
57 G14 0.9180
58 4I8 0.9178
59 TFM 0.9172
60 4JE 0.9165
61 ODK 0.9164
62 N91 0.9160
63 KLE 0.9157
64 MAJ 0.9153
65 8NB 0.9142
66 EVF 0.9138
67 XCG 0.9133
68 N1E 0.9131
69 I2E 0.9130
70 JCZ 0.9121
71 YI6 0.9119
72 4AF 0.9114
73 7N8 0.9112
74 LR8 0.9110
75 7MW 0.9109
76 1A5 0.9105
77 EYJ 0.9101
78 VFG 0.9082
79 ST2 0.9081
80 9FH 0.9079
81 5H6 0.9078
82 1FD 0.9077
83 JMG 0.9075
84 M4S 0.9072
85 1PS 0.9071
86 Z13 0.9071
87 4JC 0.9067
88 1EB 0.9067
89 JBZ 0.9066
90 54Z 0.9065
91 A7H 0.9064
92 MD6 0.9056
93 B41 0.9055
94 BVA 0.9055
95 F4K 0.9051
96 1OT 0.9050
97 4XF 0.9047
98 IOS 0.9044
99 4BL 0.9039
100 S7J 0.9038
101 8D6 0.9037
102 8U3 0.9033
103 PNZ 0.9031
104 A5P 0.9031
105 5RP 0.9030
106 5GV 0.9027
107 8V8 0.9021
108 2QC 0.9019
109 LQ2 0.9018
110 86L 0.9017
111 ZHA 0.9016
112 0A1 0.9013
113 F02 0.9012
114 FER 0.9007
115 549 0.9006
116 5DL 0.9002
117 QBP 0.9001
118 14N 0.9000
119 N2M 0.9000
120 1FE 0.8998
121 5LA 0.8996
122 4BY 0.8996
123 94W 0.8992
124 I3E 0.8990
125 6P3 0.8989
126 DVQ 0.8988
127 KMY 0.8985
128 U7E 0.8981
129 K82 0.8980
130 LTN 0.8979
131 8EU 0.8977
132 LZ5 0.8976
133 SLS 0.8975
134 PQM 0.8974
135 ENO 0.8973
136 7FU 0.8972
137 TYL 0.8971
138 IAC 0.8966
139 STX 0.8966
140 2JX 0.8962
141 3XR 0.8961
142 TYR 0.8961
143 3ZB 0.8956
144 X0U 0.8956
145 4BX 0.8956
146 TRP 0.8955
147 6N4 0.8955
148 36M 0.8952
149 5LD 0.8950
150 ANN 0.8948
151 A5Q 0.8948
152 OW7 0.8947
153 6SD 0.8946
154 BPN 0.8944
155 C82 0.8942
156 4BZ 0.8941
157 QME 0.8935
158 E3X 0.8935
159 ATX 0.8934
160 PQS 0.8934
161 HPP 0.8934
162 2P3 0.8932
163 5OO 0.8932
164 JB8 0.8928
165 J1K 0.8928
166 DTY 0.8926
167 RKV 0.8925
168 5E5 0.8924
169 AEG 0.8922
170 CSN 0.8918
171 AJG 0.8917
172 NAG 0.8917
173 428 0.8917
174 9R5 0.8916
175 BQ2 0.8914
176 UNJ 0.8914
177 JAH 0.8914
178 EV2 0.8912
179 2GQ 0.8910
180 ZYX 0.8910
181 S0D 0.8910
182 9BF 0.8909
183 FZM 0.8908
184 12T 0.8908
185 DHC 0.8908
186 6C5 0.8906
187 RA7 0.8906
188 NIY 0.8906
189 PLP 0.8905
190 1F1 0.8905
191 KBZ 0.8904
192 6FB 0.8904
193 DER 0.8903
194 F4E 0.8903
195 NK5 0.8901
196 E4P 0.8901
197 NY4 0.8900
198 TYE 0.8899
199 0UL 0.8898
200 GO8 0.8898
201 M78 0.8898
202 36E 0.8895
203 4NM 0.8893
204 S8G 0.8892
205 80G 0.8892
206 6FG 0.8891
207 9ZE 0.8890
208 EE8 0.8889
209 L1T 0.8889
210 CWJ 0.8886
211 0JD 0.8886
212 AJ1 0.8885
213 RSV 0.8884
214 K7H 0.8883
215 KLS 0.8883
216 8CC 0.8882
217 A6W 0.8877
218 M4N 0.8876
219 4NB 0.8873
220 3R4 0.8873
221 D1G 0.8872
222 E1T 0.8871
223 5TO 0.8870
224 J6W 0.8869
225 DJN 0.8867
226 PUE 0.8865
227 L1O 0.8865
228 PLR 0.8865
229 2D2 0.8864
230 MKN 0.8864
231 5TY 0.8863
232 JA5 0.8863
233 DEZ 0.8861
234 HC4 0.8860
235 SSC 0.8860
236 S7G 0.8859
237 TID 0.8857
238 14Z 0.8857
239 RES 0.8856
240 IOP 0.8853
241 MSR 0.8852
242 CPZ 0.8851
243 VGS 0.8849
244 5O6 0.8849
245 OQC 0.8848
246 KDV 0.8848
247 MUX 0.8848
248 J38 0.8846
249 4AU 0.8846
250 E5X 0.8844
251 9VQ 0.8844
252 2O6 0.8844
253 5TZ 0.8843
254 6C9 0.8842
255 DTR 0.8841
256 HSX 0.8840
257 D2G 0.8840
258 D9Z 0.8840
259 KLV 0.8839
260 A5E 0.8838
261 S62 0.8837
262 NDD 0.8835
263 JAW 0.8835
264 GVY 0.8833
265 TSR 0.8831
266 BP7 0.8831
267 IQ5 0.8831
268 GJP 0.8830
269 PFF 0.8828
270 78Y 0.8826
271 IYR 0.8824
272 XI7 0.8823
273 833 0.8822
274 JDN 0.8822
275 15N 0.8821
276 259 0.8821
277 E7S 0.8814
278 PPT 0.8814
279 1HN 0.8813
280 AHC 0.8813
281 NFM 0.8812
282 0SY 0.8810
283 0NX 0.8808
284 4HB 0.8808
285 AN3 0.8806
286 6NI 0.8806
287 PH3 0.8805
288 A98 0.8804
289 5SJ 0.8803
290 IBP 0.8802
291 EYY 0.8802
292 E0O 0.8801
293 5SP 0.8800
294 TZF 0.8799
295 VFM 0.8797
296 RD4 0.8797
297 M5H 0.8796
298 5WN 0.8796
299 DDU 0.8796
300 6DH 0.8795
301 FCD 0.8795
302 RVE 0.8795
303 4RU 0.8794
304 MQG 0.8793
305 4FF 0.8793
306 ESX 0.8791
307 36Y 0.8791
308 HJ7 0.8791
309 BIO 0.8789
310 SNU 0.8789
311 0OK 0.8788
312 C1M 0.8786
313 P81 0.8785
314 SWX 0.8782
315 P80 0.8780
316 YF3 0.8780
317 BZJ 0.8778
318 YPN 0.8777
319 P93 0.8775
320 YIE 0.8775
321 3XH 0.8775
322 FQX 0.8775
323 N2I 0.8774
324 X48 0.8774
325 IPE 0.8774
326 THA 0.8771
327 DAH 0.8770
328 4CF 0.8770
329 PRO GLY 0.8769
330 6NT 0.8768
331 OHJ 0.8767
332 FYR 0.8766
333 CFA 0.8766
334 LO1 0.8765
335 492 0.8764
336 FHC 0.8763
337 ALE 0.8761
338 AMH 0.8758
339 B1J 0.8757
340 ARP 0.8755
341 7AP 0.8753
342 OOG 0.8753
343 CXH 0.8752
344 27B 0.8752
345 LVD 0.8752
346 4BF 0.8751
347 DRG 0.8750
348 6MW 0.8750
349 FZ0 0.8750
350 5B2 0.8749
351 49P 0.8749
352 WV7 0.8749
353 4FC 0.8747
354 MS0 0.8745
355 ANF 0.8745
356 C53 0.8744
357 YE7 0.8744
358 PPY 0.8741
359 KYN 0.8741
360 G6P 0.8739
361 D25 0.8739
362 VD9 0.8739
363 7EH 0.8737
364 HRM 0.8737
365 3QV 0.8736
366 6ZX 0.8736
367 JGY 0.8736
368 TCR 0.8734
369 3NY 0.8734
370 0HN 0.8733
371 YZ9 0.8733
372 NAL 0.8731
373 DZA 0.8729
374 ZYQ 0.8728
375 RYV 0.8728
376 G1L 0.8727
377 4AB 0.8727
378 EZL 0.8726
379 ABF 0.8725
380 YE6 0.8725
381 PRL 0.8725
382 L14 0.8724
383 8XL 0.8724
384 KF5 0.8722
385 ZRK 0.8719
386 LEL 0.8718
387 FHV 0.8717
388 3VW 0.8716
389 2ZM 0.8716
390 FCW 0.8716
391 NFZ 0.8714
392 ITE 0.8714
393 ICB 0.8713
394 S7D 0.8712
395 MZM 0.8711
396 TXW 0.8710
397 S24 0.8710
398 4TB 0.8709
399 HHH 0.8709
400 5C1 0.8709
401 ESP 0.8708
402 E79 0.8708
403 SYD 0.8707
404 1KN 0.8707
405 5NI 0.8706
406 BZ2 0.8706
407 6C8 0.8705
408 GDL 0.8704
409 4Z9 0.8703
410 0HO 0.8703
411 4CN 0.8700
412 HXY 0.8700
413 HSA 0.8699
414 Q06 0.8698
415 H4B 0.8698
416 68B 0.8697
417 FF2 0.8696
418 2BX 0.8696
419 3A9 0.8695
420 W81 0.8695
421 LFQ 0.8694
422 AEF 0.8693
423 BG6 0.8692
424 AA 0.8690
425 6C4 0.8690
426 APS 0.8688
427 8ZE 0.8687
428 H75 0.8686
429 2HU 0.8683
430 VM1 0.8681
431 BHQ 0.8681
432 NDG 0.8680
433 M28 0.8679
434 NGA 0.8679
435 TJM 0.8676
436 2PK 0.8676
437 4FA 0.8676
438 3EB 0.8675
439 8NX 0.8671
440 NPX 0.8671
441 PHI 0.8670
442 LGT 0.8668
443 5F5 0.8668
444 EAT 0.8667
445 92G 0.8666
446 0FR 0.8665
447 PMP 0.8664
448 RCV 0.8664
449 37E 0.8664
450 5TT 0.8663
451 4TU 0.8663
452 K48 0.8662
453 SJK 0.8661
454 V1T 0.8661
455 AMR 0.8659
456 YZM 0.8658
457 D3G 0.8658
458 K3D 0.8657
459 A2G 0.8656
460 PIQ 0.8656
461 5XC 0.8655
462 EQW 0.8654
463 27K 0.8654
464 OLU 0.8651
465 2HC 0.8650
466 BBK 0.8649
467 YRL 0.8648
468 BIK 0.8647
469 K97 0.8647
470 6HO 0.8647
471 TYC 0.8645
472 GLP 0.8645
473 EWG 0.8641
474 HHS 0.8641
475 1L5 0.8639
476 Y0V 0.8637
477 L15 0.8637
478 ABI 0.8636
479 9KZ 0.8636
480 CC5 0.8634
481 W23 0.8633
482 1Z6 0.8633
483 A9B 0.8632
484 9UL 0.8630
485 8WO 0.8628
486 CTE 0.8625
487 2PV 0.8625
488 JP2 0.8625
489 0K7 0.8624
490 HBI 0.8623
491 ZSP 0.8623
492 HX4 0.8622
493 YOF 0.8621
494 22T 0.8620
495 EZ1 0.8620
496 O45 0.8618
497 EXD 0.8618
498 5AD 0.8618
499 HBO 0.8616
500 6QF 0.8615
501 TGX 0.8615
502 0GA 0.8610
503 SOJ 0.8610
504 J9N 0.8610
505 9JH 0.8609
506 ET0 0.8609
507 H2B 0.8608
508 ZIQ 0.8606
509 PXP 0.8605
510 LL1 0.8605
511 0DF 0.8604
512 SG3 0.8602
513 AHN 0.8599
514 54E 0.8598
515 15E 0.8597
516 SQV 0.8596
517 1M2 0.8594
518 MMS 0.8593
519 2BG 0.8592
520 HNK 0.8591
521 STV 0.8591
522 4LW 0.8591
523 4FE 0.8589
524 BGU 0.8588
525 6FZ 0.8587
526 XIY 0.8583
527 BZQ 0.8583
528 SN4 0.8581
529 2K8 0.8580
530 HNL 0.8578
531 2LW 0.8577
532 KDG 0.8569
533 A5H 0.8563
534 9FL 0.8559
535 92P 0.8558
536 4WL 0.8552
537 OTR 0.8550
538 4YO 0.8548
539 0FK 0.8547
540 C4E 0.8546
541 FDR 0.8545
542 JOV 0.8543
543 61M 0.8541
544 0OL 0.8541
545 68A 0.8540
546 FTV 0.8539
547 9FE 0.8535
548 47V 0.8534
549 H5B 0.8523
550 KP2 0.8521
551 HA5 0.8510
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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