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Receptor
PDB id Resolution Class Description Source Keywords
5IXH 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNA BURKHOLDERIA CENOCEPACIA BC7 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS B:204;
A:204;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
SO4 B:202;
B:203;
A:203;
A:202;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
OTP B:201;
A:201;
Valid;
Valid;
none;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IXH 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA BCNA BURKHOLDERIA CENOCEPACIA BC7 BETA BARREL LIPOCALIN UNKNOWN FUNCTION
Ref.: ANTIBIOTIC CAPTURE BY BACTERIAL LIPOCALINS UNCOVERS EXTRACELLULAR MECHANISM OF INTRINSIC ANTIBIOTIC RES MBIO V. 8 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5IXH - OTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5IXH - OTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5IXH - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OTP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 GRG 1 0.975
3 ZTP 1 1
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 FJP 0.744681 0.9
9 0K3 0.744681 0.925
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 2CF 0.57377 0.906977
14 FPF 0.57377 0.906977
15 10D 0.568627 0.767442
16 10E 0.568627 0.6875
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
35 9GB 0.415094 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IXH; Ligand: OTP; Similar sites found with APoc: 287
This union binding pocket(no: 1) in the query (biounit: 5ixh.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 3SAO DBH None
2 3SAO NKN None
3 3WUD GLC GAL None
4 1J3R 6PG None
5 4Z28 BTN None
6 5NLD LBT None
7 5GP0 GPP None
8 6BYM HC3 None
9 5FS0 5JC None
10 4WVW SLT None
11 6EWZ APC None
12 1NKI PPF None
13 5H9Q TD2 None
14 6A63 LAT None
15 1TUK PGM None
16 3NV3 GAL NAG MAN None
17 3ZO7 K6H None
18 3ZXE PGZ None
19 4WUJ FMN None
20 5Y02 MXN None
21 2P7Q GG6 None
22 4GGZ BTN None
23 1LRH NLA None
24 2ZSC BTN None
25 4Q0A 4OA None
26 3T50 FMN None
27 3RET SAL None
28 3RET PYR None
29 4LWU 20U None
30 1H8S AIC 1.24224
31 6D61 4AA 1.24224
32 5HV7 RBL 1.24224
33 5H2U 1N1 1.24224
34 5VGS 9A4 1.27389
35 4ZU4 4TG 1.35135
36 1BHX ASP PHE GLU GLU ILE 1.36054
37 1N5S ADL 1.78571
38 4JGP PYR 1.86335
39 3WV6 GAL BGC 1.86335
40 3DBX PLM 1.86335
41 5KO1 6UY 1.86335
42 3JZ0 CLY 1.86335
43 5F2T PLM 1.86335
44 2D6M LBT 1.88679
45 1SU2 ATP 1.88679
46 5H9P TD2 1.89873
47 5LJB RTL 2.22222
48 2Z6C FMN 2.32558
49 2HRL SIA GAL SIA BGC NGA CEQ 2.3622
50 5JSP DQY 2.48447
51 4M51 BEZ 2.48447
52 5LXB 7A9 2.48447
53 3ZGJ RMN 2.48447
54 5T8U LPA 2.48447
55 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 2.48447
56 3FW3 ETS 2.48447
57 5C3R HMU 2.48447
58 5C3R AKG 2.48447
59 4AFH L0B 2.48447
60 1DQE BOM 2.91971
61 6GNO XDI 2.96296
62 1Y9Q MED 3.10559
63 2JIG PD2 3.10559
64 5I0U DCY 3.10559
65 4NFN 2KC 3.10559
66 4H6B 10Y 3.10559
67 4USF 6UI 3.10559
68 4H6B 10X 3.10559
69 2OVW CBI 3.10559
70 6E1Q CFA 3.10559
71 2R0H CTO 3.10559
72 1DMY AZM 3.10559
73 4OJ8 AKG 3.10559
74 2ZMF CMP 3.10559
75 2QUN FUD 3.10559
76 1QFT HSM 3.10559
77 5UPK ANP 3.10559
78 5TPV TYD 3.26797
79 6FA4 D1W 3.46821
80 4JNJ BTN 3.47826
81 1C1L GAL BGC 3.64964
82 2QL9 CIT 3.72671
83 4NPL AKG 3.72671
84 4ZTD ALA GLY ALA GLY ALA 3.72671
85 1U0A BGC BGC BGC BGC 3.72671
86 3B6R ADP 3.72671
87 4B1M FRU FRU 3.72671
88 5VC5 96M 3.72671
89 5O9W AKG 3.72671
90 1NX4 AKG 3.72671
91 2GQR ADP 3.72671
92 5N87 N66 3.72671
93 4L9I 8PR 3.72671
94 1OPB RET 3.73134
95 5B09 4MX 3.84615
96 4YLZ LAT NAG GAL 3.92157
97 1Y52 BTN 3.96825
98 2E56 MYR 4.16667
99 4WOE ADP 4.34783
100 4KBA 1QM 4.34783
101 4D4U FUC NDG GAL FUC 4.34783
102 4D52 GXL 4.34783
103 4D52 GIV 4.34783
104 2ITM XUL 4.34783
105 6AYI C3G 4.34783
106 3HYW DCQ 4.34783
107 4D4U FUC GAL NAG 4.34783
108 2IUW AKG 4.34783
109 5FWJ MMK 4.34783
110 3V8S 0HD 4.34783
111 5Z21 OXM 4.34783
112 2J5B TYE 4.34783
113 1ODM ASV 4.34783
114 4D4U FUC GAL NDG FUC 4.34783
115 1YKD CMP 4.34783
116 1MH5 HAL 4.34783
117 4L4J NAG NAG BMA MAN NAG 4.34783
118 1MJJ HAL 4.34783
119 4G7A AZM 4.43548
120 4BJ8 BTN 4.7619
121 3RGA LSB 4.96894
122 1OFZ FUL 4.96894
123 1OFZ FUC 4.96894
124 5L2R MLA 4.96894
125 1TO9 HMH 4.96894
126 3I8T LBT 4.96894
127 2PUL ACP 4.96894
128 3P7N FMN 4.96894
129 1KYZ FER 4.96894
130 4YMJ 4EJ 4.96894
131 3WG3 A2G GAL NAG FUC 4.96894
132 4CNO 9PY 4.96894
133 4QXB OGA 4.96894
134 2WVZ KIF 4.96894
135 1OJK GLC BGC 4.96894
136 1OJJ GLC GAL 4.96894
137 2QCX PF1 4.96894
138 6CC0 EWM 4.96894
139 3ZDS OMD 4.96894
140 5KXQ GDP 4.96894
141 2OMN IPH 4.96894
142 2WH8 II2 4.96894
143 5TFZ 7BC 5.33333
144 1OGX EQU 5.34351
145 1KJ1 MAN 5.50459
146 4OFG PCG 5.55556
147 5HV0 AKG 5.59006
148 4QDF 30Q 5.59006
149 3O2K DST 5.59006
150 4Z3E GAL NGA GLA BGC GAL 5.59006
151 4M26 AKG 5.59006
152 4KRG SAH 5.59006
153 6AYH C3G 5.59006
154 4ZSI 4R1 5.59006
155 4JH6 FCN 5.7971
156 3WUC GLC GAL 5.83942
157 4RF7 ARG 6.21118
158 4FFG 0U8 6.21118
159 6G5Q EMZ 6.21118
160 4FFG LBS 6.21118
161 4ZXA H8N 6.21118
162 1SZO CAX 6.21118
163 3PQB VGP 6.21118
164 5TZO 7V7 6.21118
165 3UXL CFI 6.21118
166 1GT4 UNA 6.28931
167 2Z77 HE7 6.47482
168 5YF9 NIO 6.48968
169 1SLT NDG GAL 6.71642
170 6HDT BTN 6.76692
171 2Y7P SAL 6.8323
172 1F9V ADP 6.8323
173 5KJW 53C 6.8323
174 4OCT AKG 6.8323
175 5LHT TIH 6.8323
176 1ZGS XMM 6.8323
177 1NVM OXL 6.8323
178 1IA9 ANP 6.8323
179 3M3E GAL A2G NPO 6.8323
180 2WPU KYT 6.91824
181 5OO5 UUA 7.25806
182 4CSD MFU 7.45342
183 2YKL NLD 7.45342
184 4W6Z ETF 7.45342
185 6FOF LAT 7.45342
186 5X7Q GLC GLC GLC GLC 7.45342
187 2FDW D3G 7.45342
188 5X7Q GLC GLC GLC GLC GLC 7.45342
189 4HWT 1B2 7.45342
190 5FUI APY 7.57576
191 2YMZ LAT 7.69231
192 1OGZ EQU 8
193 3A16 PXO 8.07453
194 2VFT SOR 8.07453
195 5GLT BGC GAL NAG GAL 8.07453
196 5WGC AFY 8.07453
197 4HY1 19X 8.07453
198 5W10 CMP 8.07453
199 6FWH 5LD 8.07453
200 4KYS VIB 8.07453
201 1MEX RAC 8.37209
202 1QKQ MAN 8.4507
203 5XEG AKG 8.69565
204 5KR7 6X9 8.69565
205 4BG4 ADP 8.69565
206 5VNF VAL THR SER VAL VAL 8.69565
207 5FXD H7Y 8.69565
208 2BOS GLA GAL 8.82353
209 2BOS GLA GAL GLC 8.82353
210 5T7I LAT NAG GAL 9.03226
211 5HWV MBN 9.23077
212 4YVN EBS 9.31677
213 1Z45 GAL 9.31677
214 6FYV 3NG 9.31677
215 2ABJ CBC 9.31677
216 4IMO PWZ 9.31677
217 5DQ8 FLF 9.31677
218 1LSH PLD 9.31677
219 1SDW IYT 9.31677
220 4L4V 1VY 9.31677
221 1KDK DHT 9.31677
222 4EES FMN 9.56522
223 5DG2 GAL GLC 9.62963
224 3EW2 BTN 9.62963
225 3NZ1 3NY 9.93789
226 2B3B GLC 9.93789
227 2QX0 PH2 10.0629
228 5AIG VPR 10.4
229 1A78 TDG 10.4478
230 2ET1 GLV 10.559
231 1XNK XS2 10.559
232 4H69 10Y 10.559
233 6BU0 IHP 10.687
234 3RDO BTN 11.1111
235 1F5F DHT 11.1801
236 3CBC DBS 11.1801
237 3FW4 CAQ 11.1801
238 5MJA 7O3 11.1801
239 2O9R TCB 11.1801
240 5DXT 5H5 11.1801
241 4QYN RTL 11.2782
242 1DZK PRZ 11.465
243 1SWG BTN 11.7188
244 1YFS ALA 11.8012
245 5U55 S0H 11.8012
246 4FE2 AIR 12.1569
247 4Y24 TD2 12.3377
248 3ZJX BOG 12.4224
249 1RYD GLC 12.4224
250 3PUR 2HG 12.4224
251 4CPH LH4 12.5984
252 5K21 6QF 12.766
253 1MAI I3P 12.9771
254 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
255 2BS5 BGC GAL FUC 13.3333
256 6F7X MFU 13.3333
257 2X34 UQ8 13.6646
258 5XQW 8EU 13.6646
259 2NZ2 CIR 13.6646
260 2Z5Y HRM 13.6646
261 1IS3 LAT 14.0741
262 1W6O LAT 14.1791
263 3OYW TDG 14.1791
264 1W6P NDG GAL 14.1791
265 2X32 OTP 14.2857
266 4KRI 1SH 14.9068
267 6E08 NAP 15.528
268 1OF4 BMA BMA BMA BMA BMA 15.528
269 2VN9 GVD 15.528
270 4EKV BTN 16.3522
271 6CAY ERG 18.0124
272 2PNC CLU 19.2547
273 1ULE GLA GAL NAG 19.3333
274 5INJ 6C7 21.118
275 1T0S BML 22.3602
276 1TW4 CHD 24
277 3ZW0 FUC 24.1379
278 3ZW2 GLA NAG GAL FUC 24.1379
279 3ZW2 GAL FUC 24.1379
280 3ZW2 NAG GAL FUC 24.1379
281 5C5T AKG 24.2236
282 1P0Z FLC 24.4275
283 4BXF AKG 25.4658
284 3RMK BML 26.506
285 1Y0G 8PP 27.9503
286 1KQW RTL 29.8507
287 1WUB OTP 36.646
Pocket No.: 2; Query (leader) PDB : 5IXH; Ligand: OTP; Similar sites found with APoc: 81
This union binding pocket(no: 2) in the query (biounit: 5ixh.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 3IWD M2T None
2 2W3L DRO None
3 4QM9 CYS None
4 3A76 SPD None
5 2XMY CDK None
6 1DTL BEP None
7 5ODY 9SK None
8 3C0G 3AM 1.24224
9 2R5V HHH 1.86335
10 3WV6 GAL GLC 1.86335
11 5EXK 5AD 1.86335
12 4KCT PYR 1.86335
13 1SGJ OAA 1.86335
14 2ZHL NAG GAL GAL NAG 2.02703
15 5W7B MYR 2.48447
16 3VMG 9CA 2.6087
17 3A0E M3M 2.72727
18 2OO8 RAJ 3.10559
19 1G1T SIA GAL MAG FUC 3.18471
20 2WW2 SWA 3.72671
21 1ZZ7 S0H 3.72671
22 4B1L FRU 3.72671
23 1U6R ADP 3.72671
24 3SCH TB6 3.72671
25 4BCS BTN 4
26 4XQM MAN 4.25532
27 5A86 D7E 4.34783
28 5NG7 SER 4.34783
29 2GQS C2R 4.34783
30 4MOB ADP 4.34783
31 2FCU AKG 4.34783
32 3NNT DQA 4.34783
33 2GJ5 VD3 4.34783
34 3HQR OGA 4.34783
35 2C1Q BTN 4.7619
36 6F6D AKG 4.96894
37 2DIO EOD 4.96894
38 5OUH L0B 4.96894
39 1QY1 PRZ 4.96894
40 4ZJS 4P0 4.96894
41 5Y4R C2E 5.51724
42 1I06 TZL 5.59006
43 4QDC ASD 5.59006
44 3I4X DST 5.59006
45 2Y6O 1N1 5.59006
46 1G42 CP2 5.59006
47 6FXR AKG 5.59006
48 3PGU OLA 5.59006
49 4AZP A9M 5.7971
50 4QCK ASD 6.21118
51 4RQL SNE 6.21118
52 4AIA ADK 6.21118
53 4GCZ FMN 6.21118
54 1Z03 OCH 6.21118
55 3FU7 D2M 6.21118
56 2WKQ FMN 6.8323
57 1WW5 SGA BGC 6.875
58 1C5C TK4 7.45342
59 2GCG DGY 7.45342
60 2WEI VGG 7.45342
61 3VNM SDD 7.45342
62 4IJP 1EH 8.07453
63 3B1Q NOS 8.07453
64 2E27 AB0 8.40336
65 3T3Z 9PL 8.69565
66 6DZN AE3 8.69565
67 1AUA BOG 9.31677
68 5TVF PUT 9.31677
69 2B4B B33 9.93789
70 3G08 FEE 9.93789
71 4JN6 OXL 9.93789
72 3RWP ABQ 10.559
73 2VGK REZ 15.528
74 6EXF LYS 16.7702
75 2CJU PHX 17.6991
76 2CI5 HCS 19.2547
77 3DZ6 PUT 20.8955
78 1I7M PUT 20.8955
79 1I7M CG 20.8955
80 2GC0 PAN 24.8447
81 1K12 FUC 27.2152
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