Receptor
PDB id Resolution Class Description Source Keywords
6EWE 1.46 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX 308 BACILLUS CEREUS ANTIMICROBIAL RESISTANCE METALLO BETA LACTAMASE INHIBITORHYDROLASE
Ref.: STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON RHODANIN DERIVED ENETHIOL INHIBITORS OF METALLO-BETA-LACTAMA BIOORG. MED. CHEM. V. 26 2928 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:305;
A:306;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
C0W A:304;
Valid;
none;
ic50 = 3.1 uM
236.31 C11 H8 O2 S2 c1ccc...
SO4 A:303;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
ZN A:301;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TYT 1.8 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX ML302F BACILLUS CEREUS ANTIMICROBIAL RESISTANCE METALLO BETA LACTAMASE INHIBITORHYDROLASE
Ref.: RHODANINE HYDROLYSIS LEADS TO POTENT THIOENOLATE ME METALLO-BETA-LACTAMASE INHIBITION. NAT.CHEM. V. 6 1084 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
2 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
3 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
4 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
5 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
2 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
3 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
4 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
5 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1HLK Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
2 1KR3 Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
3 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
4 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
5 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
6 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
7 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
8 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
9 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
10 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
11 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
12 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
13 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
14 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
15 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
16 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
17 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
18 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
19 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
20 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
21 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
22 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
23 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
25 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
26 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
27 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
28 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
29 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
30 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
31 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
32 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
33 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
34 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
35 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
36 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
37 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
38 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
39 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
40 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
41 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
42 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
43 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
44 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
45 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
46 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
47 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
48 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
49 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
50 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
51 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
52 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
53 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
54 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
55 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
56 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
57 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
58 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
59 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
60 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
61 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
62 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
63 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
64 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
65 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
66 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
67 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
68 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
69 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
70 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
71 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
72 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
73 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
74 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
75 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
76 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
77 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
78 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
79 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
80 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
81 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
82 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
83 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
84 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
85 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
86 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
87 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
88 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
89 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
90 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
91 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
92 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
93 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
94 6R73 - LMP C17 H27 N3 O6 S C[C@H]1[C@....
95 6RZR - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
96 6RZS - LHT C22 H27 N3 O8 S C[C@@H]1[C....
97 5NDB - 8TW C7 H8 Cl2 O4 S C1=S[C@H]2....
98 1JJT ic50 = 0.009 uM BDS C20 H18 O8 c1cc2c(cc1....
99 5EV8 - 3R9 C7 H11 N O2 S3 C1[C@@H](N....
100 3WXC - C93 C13 H15 N O5 c1cc(c(c(c....
101 2DOO Kd = 67 nM C4H C19 H27 N3 O3 S2 CN(C)c1ccc....
102 4F6Z - FLC C6 H5 O7 C(C(=O)[O-....
103 1DD6 - MCI C19 H19 N5 O3 S2 c1ccc(cc1)....
104 5EWA Ki = 15 uM 9BZ C9 H15 N O2 S3 CC1([C@H](....
105 1JJE ic50 = 0.0037 uM BYS C19 H18 O6 c1ccc(cc1)....
106 4UAM - FLC C6 H5 O7 C(C(=O)[O-....
107 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
108 1M2X Ki ~ 85 uM MCO C9 H15 N O3 S C[C@H](CS)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C0W; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C0W 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: C0W; Similar ligands found: 493
No: Ligand Similarity coefficient
1 TRP 0.9809
2 DTR 0.9723
3 3IL 0.9716
4 LTN 0.9701
5 IOP 0.9581
6 XI7 0.9576
7 4Z9 0.9553
8 3SU 0.9496
9 RVE 0.9487
10 96Z 0.9432
11 2UD 0.9385
12 LL1 0.9379
13 VM1 0.9377
14 KYN 0.9361
15 F40 0.9354
16 5F8 0.9347
17 2GQ 0.9328
18 78U 0.9323
19 BY5 0.9321
20 5FL 0.9315
21 DXK 0.9291
22 TOH 0.9291
23 B21 0.9291
24 P4L 0.9278
25 ZIQ 0.9277
26 363 0.9266
27 9UL 0.9260
28 AMR 0.9244
29 5F5 0.9239
30 SSY 0.9234
31 YE6 0.9233
32 2FX 0.9232
33 ITW 0.9231
34 MD6 0.9228
35 9BF 0.9226
36 C4E 0.9226
37 LR2 0.9220
38 5E5 0.9218
39 22L 0.9217
40 5WN 0.9210
41 5B2 0.9206
42 S3C 0.9206
43 0UL 0.9206
44 TCR 0.9205
45 YE7 0.9200
46 PIQ 0.9200
47 DAH 0.9197
48 1AJ 0.9197
49 2D2 0.9185
50 B41 0.9178
51 3D8 0.9175
52 9F8 0.9174
53 GO2 0.9171
54 NFZ 0.9169
55 20D 0.9167
56 NAL 0.9164
57 1FE 0.9163
58 AVA 0.9160
59 BZQ 0.9160
60 QMS 0.9157
61 DFL 0.9157
62 6FG 0.9155
63 AZY 0.9147
64 6MW 0.9146
65 GZV 0.9145
66 M5H 0.9145
67 A5H 0.9145
68 5V7 0.9144
69 1V1 0.9143
70 54X 0.9140
71 A73 0.9138
72 CUT 0.9136
73 9JT 0.9135
74 X6P 0.9131
75 EQA 0.9128
76 6C8 0.9125
77 FER 0.9124
78 6J5 0.9123
79 NKI 0.9119
80 WVV 0.9118
81 KF5 0.9118
82 5TZ 0.9118
83 7L4 0.9115
84 7ZL 0.9114
85 WLH 0.9113
86 RGK 0.9110
87 4AU 0.9108
88 HA6 0.9107
89 5TO 0.9104
90 272 0.9104
91 25F 0.9103
92 0SY 0.9103
93 5NN 0.9101
94 HH6 0.9101
95 NIY 0.9099
96 3F4 0.9097
97 4GU 0.9096
98 SZ5 0.9095
99 DHC 0.9092
100 4FF 0.9091
101 BBY 0.9089
102 6J9 0.9088
103 MQB 0.9083
104 2LT 0.9082
105 IYR 0.9082
106 6C5 0.9080
107 RDV 0.9079
108 JCZ 0.9076
109 THU 0.9071
110 THM 0.9069
111 96R 0.9067
112 3VW 0.9065
113 ZZA 0.9065
114 3GX 0.9063
115 ZON 0.9061
116 D1Y 0.9057
117 833 0.9056
118 1V4 0.9055
119 LEL 0.9055
120 0OY 0.9054
121 P93 0.9054
122 FCW 0.9051
123 EWG 0.9046
124 M3Q 0.9046
125 A6W 0.9039
126 6C4 0.9030
127 JXT 0.9029
128 ZRK 0.9023
129 EV2 0.9021
130 FCD 0.9020
131 GJK 0.9018
132 ZME 0.9018
133 H35 0.9018
134 6DQ 0.9018
135 PQT 0.9016
136 EVO 0.9016
137 1A7 0.9015
138 FNA 0.9014
139 1V3 0.9013
140 67Y 0.9012
141 G14 0.9012
142 B4O 0.9011
143 BK9 0.9011
144 2QU 0.9010
145 FT6 0.9008
146 ZEZ 0.9008
147 IOS 0.9004
148 0LO 0.9004
149 4Z1 0.9003
150 4I8 0.9003
151 9CE 0.9002
152 LRW 0.9000
153 CUH 0.8999
154 2P3 0.8998
155 1XS 0.8997
156 ZEA 0.8996
157 X48 0.8995
158 XFE 0.8993
159 H7S 0.8990
160 G6P 0.8990
161 HWH 0.8989
162 LTT 0.8989
163 U7E 0.8988
164 KP2 0.8980
165 ETV 0.8977
166 0OL 0.8971
167 II4 0.8970
168 2QV 0.8967
169 VT3 0.8967
170 JSX 0.8966
171 3TC 0.8964
172 S1D 0.8963
173 L1T 0.8960
174 5OF 0.8960
175 A9B 0.8959
176 7MX 0.8959
177 2KU 0.8955
178 Q5M 0.8954
179 CTE 0.8952
180 AUV 0.8951
181 K48 0.8951
182 49P 0.8950
183 3IP 0.8949
184 JYT 0.8948
185 MEX 0.8945
186 N7I 0.8943
187 M3W 0.8943
188 AJD 0.8943
189 11X 0.8940
190 FF2 0.8938
191 L22 0.8938
192 FC2 0.8938
193 0DF 0.8938
194 4ZF 0.8937
195 TSS 0.8937
196 JFS 0.8936
197 1Q4 0.8935
198 5P3 0.8933
199 5ER 0.8932
200 EV3 0.8931
201 GO8 0.8931
202 Q0K 0.8931
203 EYY 0.8929
204 IQQ 0.8929
205 BPY 0.8929
206 6C9 0.8927
207 ZRL 0.8927
208 ZYQ 0.8925
209 4R1 0.8925
210 DBE 0.8925
211 848 0.8925
212 QUB 0.8925
213 BP7 0.8924
214 CDJ 0.8924
215 Q4G 0.8923
216 TZM 0.8920
217 LWS 0.8919
218 CIY 0.8917
219 P80 0.8917
220 ELH 0.8915
221 4G2 0.8915
222 ZIP 0.8914
223 BG6 0.8913
224 I2E 0.8907
225 5C1 0.8906
226 S7G 0.8906
227 TI7 0.8904
228 DEW 0.8901
229 6HP 0.8898
230 CHQ 0.8895
231 LP8 0.8894
232 EYV 0.8894
233 TIA 0.8894
234 BB4 0.8894
235 BXZ 0.8890
236 JF8 0.8889
237 L5D 0.8888
238 W8L 0.8886
239 27M 0.8884
240 1VK 0.8884
241 3AK 0.8884
242 TCC 0.8884
243 CX4 0.8882
244 6DP 0.8881
245 8G6 0.8880
246 VBC 0.8878
247 8CC 0.8876
248 SRO 0.8875
249 GXG 0.8870
250 E9S 0.8870
251 2JX 0.8870
252 KYA 0.8868
253 F5C 0.8868
254 IAC 0.8867
255 5OO 0.8867
256 LZ5 0.8862
257 JGB 0.8861
258 P7Y 0.8860
259 JY2 0.8855
260 8OE 0.8854
261 NFK 0.8854
262 ASE 0.8853
263 1SF 0.8852
264 S46 0.8851
265 6HO 0.8851
266 ENO 0.8850
267 B5A 0.8849
268 3VQ 0.8849
269 LFQ 0.8848
270 GNR 0.8847
271 LLT 0.8847
272 1ER 0.8846
273 8D6 0.8845
274 H2W 0.8844
275 8OB 0.8844
276 GZ2 0.8843
277 JXK 0.8843
278 PLP 0.8841
279 55D 0.8841
280 LI7 0.8841
281 0FR 0.8840
282 GLP 0.8838
283 KDG 0.8837
284 GB4 0.8834
285 MFZ 0.8831
286 A51 0.8831
287 5WM 0.8831
288 NCV 0.8830
289 JF5 0.8829
290 4FE 0.8829
291 AC2 0.8827
292 KWB 0.8825
293 PLR 0.8823
294 X04 0.8822
295 MBP 0.8821
296 TSR 0.8820
297 A7Q 0.8817
298 AVX 0.8816
299 5AD 0.8815
300 LSQ 0.8815
301 CUQ 0.8815
302 MXD 0.8814
303 NIR 0.8812
304 BSA 0.8811
305 PMP 0.8809
306 5WT 0.8808
307 657 0.8806
308 E9L 0.8804
309 1QP 0.8803
310 4GP 0.8801
311 1FL 0.8800
312 YTX 0.8799
313 NTF 0.8799
314 BIO 0.8797
315 3Y7 0.8796
316 MDR 0.8795
317 92P 0.8793
318 TU0 0.8793
319 ERZ 0.8793
320 DDC 0.8791
321 BVS 0.8789
322 IDZ 0.8788
323 M4E 0.8787
324 28S 0.8786
325 SOJ 0.8786
326 EAJ 0.8785
327 7R4 0.8785
328 4MP 0.8785
329 TB8 0.8782
330 QIV 0.8782
331 WV7 0.8781
332 4NR 0.8781
333 OSB 0.8778
334 NK5 0.8777
335 OJD 0.8776
336 YOF 0.8775
337 L21 0.8775
338 6L6 0.8775
339 3B4 0.8774
340 1HP 0.8773
341 AOY 0.8773
342 C53 0.8770
343 A6P 0.8770
344 CFA 0.8769
345 WA2 0.8768
346 C9M 0.8767
347 BZE 0.8765
348 M5E 0.8764
349 27K 0.8763
350 DBS 0.8762
351 XDK 0.8760
352 ODK 0.8759
353 5E4 0.8759
354 ALE 0.8758
355 X0T 0.8758
356 ZHA 0.8757
357 52F 0.8756
358 4FP 0.8755
359 3WJ 0.8754
360 KLE 0.8753
361 MJ5 0.8752
362 C9E 0.8752
363 C0H 0.8751
364 BQ2 0.8750
365 4XF 0.8749
366 GXD 0.8749
367 FPL 0.8742
368 D1G 0.8740
369 LJ3 0.8739
370 ZSP 0.8738
371 28A 0.8733
372 MP5 0.8732
373 4EU 0.8732
374 F06 0.8729
375 89J 0.8727
376 S8G 0.8724
377 2HC 0.8724
378 LVY 0.8723
379 61M 0.8722
380 KCH 0.8722
381 ENG 0.8720
382 CR1 0.8720
383 HBI 0.8720
384 LLG 0.8718
385 RCV 0.8717
386 IQW 0.8716
387 8UY 0.8716
388 4K2 0.8716
389 OA1 0.8715
390 RD4 0.8715
391 FHV 0.8714
392 SYE 0.8713
393 ARP 0.8713
394 NFM 0.8711
395 1PS 0.8709
396 C2Y 0.8708
397 9FH 0.8707
398 CC5 0.8707
399 PRO GLY 0.8705
400 NIF 0.8702
401 38B 0.8701
402 AYS 0.8696
403 XIF XYP 0.8695
404 PLP PMP 0.8693
405 D9Z 0.8693
406 EQW 0.8691
407 N1E 0.8690
408 795 0.8690
409 P2L 0.8690
410 CH8 0.8686
411 QLI 0.8686
412 3D3 0.8684
413 B4L 0.8684
414 V2Z 0.8684
415 LI4 0.8680
416 1HR 0.8679
417 2LW 0.8679
418 TLF 0.8678
419 MMJ 0.8677
420 GNW 0.8677
421 I59 0.8676
422 12R 0.8674
423 BZM 0.8673
424 LDC 0.8673
425 TIZ 0.8672
426 JHY 0.8672
427 DI6 0.8672
428 GA2 0.8668
429 1BW 0.8667
430 TCL 0.8664
431 XJ2 0.8663
432 14W 0.8661
433 3L1 0.8660
434 8RK 0.8658
435 78P 0.8656
436 3XH 0.8655
437 SQV 0.8655
438 3DT 0.8653
439 CBE 0.8651
440 3D1 0.8649
441 30G 0.8645
442 R4E 0.8644
443 3VX 0.8644
444 DDU 0.8643
445 CK2 0.8642
446 60L 0.8640
447 KLS 0.8640
448 1U7 0.8640
449 6PB 0.8639
450 YIP 0.8634
451 57D 0.8633
452 PE2 0.8633
453 RK4 0.8631
454 NQ7 0.8630
455 SKF 0.8629
456 MUX 0.8628
457 PZX 0.8626
458 7PJ 0.8626
459 ISC 0.8624
460 AKD 0.8623
461 B2T 0.8622
462 9GP 0.8621
463 FHI 0.8618
464 1ZC 0.8617
465 PXP 0.8617
466 J38 0.8615
467 UN3 0.8614
468 3C5 0.8611
469 6XC 0.8610
470 PUE 0.8610
471 6J3 0.8608
472 KLV 0.8603
473 NYJ 0.8602
474 L07 0.8601
475 EXG 0.8589
476 EUH 0.8588
477 7EH 0.8585
478 YIE 0.8585
479 B86 0.8584
480 GHQ 0.8582
481 K80 0.8573
482 0QV 0.8569
483 DPN 0.8566
484 A7K 0.8562
485 S0F 0.8559
486 HSX 0.8556
487 ID8 0.8556
488 UN4 0.8556
489 0OP 0.8554
490 8YH 0.8546
491 EMU 0.8540
492 BGP 0.8532
493 NPA 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TYT; Ligand: S3C; 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: 4tyt.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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