Receptor
PDB id Resolution Class Description Source Keywords
5O0Z 1.28 Å NON-ENZYME: OTHER STRUCTURE OF LASPARTOMYCIN C IN COMPLEX WITH GERANYL-PHOSPHA STREPTOMYCES VIRIDOCHROMOGENES ANTIBIOTIC COMPLEX ANTIBIOTIC
Ref.: A HIGH-RESOLUTION CRYSTAL STRUCTURE THAT REVEALS MO DETAILS OF TARGET RECOGNITION BY THE CALCIUM-DEPEND LIPOPEPTIDE ANTIBIOTIC LASPARTOMYCIN C. ANGEW. CHEM. INT. ED. ENGL. V. 56 16546 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:106;
B:104;
A:105;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
60.052 C2 H4 O2 CC(=O...
CA A:102;
A:103;
B:103;
B:102;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
CL A:104;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
9GB A:101;
B:101;
 Valid;
Valid;
 none;
none;
 submit data
194.165 C7 H15 O4 P CCC/C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O0Z 1.28 Å NON-ENZYME: OTHER STRUCTURE OF LASPARTOMYCIN C IN COMPLEX WITH GERANYL-PHOSPHA STREPTOMYCES VIRIDOCHROMOGENES ANTIBIOTIC COMPLEX ANTIBIOTIC
Ref.: A HIGH-RESOLUTION CRYSTAL STRUCTURE THAT REVEALS MO DETAILS OF TARGET RECOGNITION BY THE CALCIUM-DEPEND LIPOPEPTIDE ANTIBIOTIC LASPARTOMYCIN C. ANGEW. CHEM. INT. ED. ENGL. V. 56 16546 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5O0Z - 9GB C7 H15 O4 P CCC/C(=C/C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5O0Z - 9GB C7 H15 O4 P CCC/C(=C/C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5O0Z - 9GB C7 H15 O4 P CCC/C(=C/C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9GB; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 9GB 1 1
2 HZZ 0.6 0.916667
3 0K3 0.55814 0.868421
4 FJP 0.55814 0.891892
5 DSL 0.55814 0.868421
6 4LR 0.542857 0.828571
7 GPP 0.42 0.846154
8 OTP 0.415094 0.804878
9 GRG 0.415094 0.825
10 ZTP 0.415094 0.804878
11 FPP 0.415094 0.825
12 VTP 0.415094 0.804878
13 10D 0.413043 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: 9GB; Similar ligands found: 262
No: Ligand Similarity coefficient
1 DHM 0.9701
2 CCE 0.9573
3 3S5 0.9514
4 IP8 0.9512
5 FOM 0.9505
6 CCD 0.9475
7 E4P 0.9458
8 G3H 0.9450
9 129 0.9429
10 AT3 0.9428
11 GPJ 0.9426
12 PGH 0.9424
13 G3P 0.9420
14 13P 0.9414
15 CYX 0.9388
16 RTK 0.9381
17 1X4 0.9353
18 GPF 0.9327
19 QFJ 0.9320
20 GVM 0.9317
21 DER 0.9311
22 HMS 0.9280
23 PC 0.9279
24 LUQ 0.9266
25 CHH 0.9259
26 LTL 0.9250
27 MF3 0.9246
28 KPC 0.9243
29 BCH 0.9238
30 DEZ 0.9234
31 5RP 0.9224
32 3PG 0.9224
33 NM3 0.9222
34 GP9 0.9222
35 MES 0.9216
36 5OY 0.9206
37 1SH 0.9205
38 0VT 0.9198
39 7BC 0.9186
40 2JJ 0.9185
41 SEP 0.9185
42 HG3 0.9183
43 A5P 0.9177
44 NSB 0.9169
45 LX1 0.9168
46 1GP 0.9142
47 7OD 0.9138
48 R52 0.9127
49 R5P 0.9127
50 API 0.9117
51 AMS 0.9112
52 XOG 0.9104
53 152 0.9100
54 GUA 0.9094
55 650 0.9090
56 HBU 0.9086
57 MSL 0.9076
58 4JC 0.9075
59 KBZ 0.9075
60 GWM 0.9073
61 F98 0.9071
62 AKG 0.9058
63 OEG 0.9058
64 HIC 0.9053
65 MHN 0.9050
66 DXP 0.9049
67 GLU 0.9046
68 UN1 0.9042
69 1HS 0.9042
70 PJL 0.9036
71 URP 0.9036
72 GLY GLY 0.9035
73 2FM 0.9030
74 OOG 0.9025
75 AG2 0.9023
76 DIR 0.9004
77 GLO 0.9002
78 RP3 0.9001
79 B3U 0.8998
80 3YP 0.8992
81 ACH 0.8990
82 HPV 0.8983
83 11C 0.8967
84 NNH 0.8966
85 LYS 0.8955
86 M4S 0.8952
87 ARG 0.8946
88 HPN 0.8940
89 GVA 0.8932
90 R9M 0.8914
91 3HG 0.8913
92 ACA 0.8912
93 TCA 0.8907
94 DZA 0.8905
95 URO 0.8899
96 1PS 0.8899
97 HCI 0.8897
98 RES 0.8891
99 OCA 0.8884
100 KMH 0.8882
101 MZT 0.8880
102 SHV 0.8879
103 0CG 0.8869
104 SG3 0.8868
105 NMH 0.8868
106 SOL 0.8868
107 GLR 0.8866
108 N6C 0.8865
109 5SP 0.8863
110 9YT 0.8862
111 49F 0.8860
112 I38 0.8860
113 NF3 0.8856
114 HIS 0.8855
115 KQY 0.8854
116 MEQ 0.8852
117 Q9Z 0.8852
118 GLN 0.8851
119 ENV 0.8851
120 NM2 0.8842
121 OGA 0.8840
122 DGL 0.8839
123 AHN 0.8839
124 GRQ 0.8834
125 3OL 0.8832
126 TEG 0.8832
127 2IT 0.8827
128 SSB 0.8823
129 OKG 0.8821
130 OSE 0.8821
131 64Z 0.8821
132 HSX 0.8816
133 NPI 0.8814
134 GGL 0.8810
135 MAH 0.8809
136 2HG 0.8808
137 MVH 0.8804
138 XRX 0.8802
139 KDG 0.8799
140 PGA 0.8798
141 0L1 0.8795
142 PO6 0.8794
143 XIZ 0.8793
144 E79 0.8790
145 DXG 0.8786
146 J0Z 0.8785
147 ONH 0.8783
148 FK8 0.8782
149 CIR 0.8781
150 PHE 0.8781
151 8EW 0.8781
152 P80 0.8781
153 EOU 0.8773
154 4NZ 0.8773
155 PSE 0.8770
156 NSD 0.8767
157 HGA 0.8767
158 ONL 0.8766
159 TIH 0.8764
160 011 0.8762
161 4TB 0.8761
162 DGN 0.8760
163 R10 0.8760
164 AZM 0.8760
165 NFA 0.8759
166 HHI 0.8757
167 ENW 0.8754
168 PBA 0.8754
169 TX4 0.8753
170 PG0 0.8752
171 26P 0.8751
172 CS2 0.8751
173 DLY 0.8750
174 HFA 0.8749
175 DLT 0.8749
176 DE5 0.8746
177 5XA 0.8745
178 DHI 0.8740
179 PPY 0.8737
180 S2G 0.8736
181 REL 0.8735
182 LYN 0.8735
183 CCU 0.8735
184 BHU 0.8733
185 BHH 0.8728
186 LVD 0.8728
187 Z70 0.8726
188 LXP 0.8726
189 QMP 0.8726
190 TZP 0.8724
191 DX5 0.8722
192 MLY 0.8721
193 SPD 0.8720
194 M3L 0.8719
195 HC4 0.8717
196 P81 0.8717
197 4CM 0.8715
198 NWH 0.8714
199 LLH 0.8704
200 CLT 0.8701
201 MLZ 0.8696
202 M1T 0.8693
203 HTX 0.8692
204 CXP 0.8691
205 TYR 0.8689
206 FIX 0.8687
207 3LR 0.8680
208 AE3 0.8679
209 ATX 0.8679
210 TIU 0.8675
211 Q06 0.8674
212 UA5 0.8673
213 3W8 0.8673
214 AES 0.8672
215 MTL 0.8672
216 EVF 0.8671
217 SSC 0.8669
218 MSR 0.8668
219 OC9 0.8666
220 GGB 0.8665
221 KNA 0.8665
222 S8V 0.8662
223 CPZ 0.8661
224 Q04 0.8659
225 SME 0.8654
226 8SZ 0.8651
227 6XA 0.8648
228 SOR 0.8647
229 AM4 0.8647
230 5LD 0.8643
231 S0W 0.8640
232 36Y 0.8639
233 N9J 0.8636
234 DAR 0.8634
235 DPN 0.8631
236 FUD 0.8631
237 7UC 0.8629
238 6NA 0.8623
239 SNU 0.8619
240 9J6 0.8618
241 PBN 0.8616
242 88L 0.8616
243 GCO 0.8614
244 IAR 0.8614
245 ZEC 0.8601
246 9ON 0.8596
247 DYT 0.8593
248 PCS 0.8590
249 492 0.8590
250 PML 0.8587
251 HX4 0.8580
252 X1R 0.8572
253 1FD 0.8570
254 16D 0.8556
255 F4E 0.8552
256 FXY 0.8550
257 OCT 0.8548
258 C1M 0.8545
259 DDK 0.8529
260 P22 0.8523
261 ILO 0.8522
262 TZF 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O0Z; Ligand: 9GB; 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: 5o0z.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5O0Z; Ligand: 9GB; 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: 5o0z.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5O0Z; Ligand: 9GB; 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: 5o0z.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5O0Z; Ligand: 9GB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5o0z.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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