-->
Receptor
PDB id Resolution Class Description Source Keywords
3CBC 2.17 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SIDEROCALIN (NGAL, LIPOCALIN 2) Y106F C WITH FERRIC ENTEROBACTIN HOMO SAPIENS SIDEROCALIN NGAL 24P3 ENTEROBACTIN GLYCOPROTEIN PYRROLICARBOXYLIC ACID SECRETED ANTIMICROBIAL PROTEIN
Ref.: THE SIDEROCALIN/ENTEROBACTIN INTERACTION: A LINK BE MAMMALIAN IMMUNITY AND BACTERIAL IRON TRANSPORT. J.AM.CHEM.SOC. V. 130 11524 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DBS A:301;
B:302;
C:303;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
241.197 C10 H11 N O6 c1cc(...
GOL A:302;
C:304;
C:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:180;
B:180;
C:182;
C:183;
C:184;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SO4 A:179;
B:179;
C:179;
C:180;
C:181;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CBC 2.17 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF SIDEROCALIN (NGAL, LIPOCALIN 2) Y106F C WITH FERRIC ENTEROBACTIN HOMO SAPIENS SIDEROCALIN NGAL 24P3 ENTEROBACTIN GLYCOPROTEIN PYRROLICARBOXYLIC ACID SECRETED ANTIMICROBIAL PROTEIN
Ref.: THE SIDEROCALIN/ENTEROBACTIN INTERACTION: A LINK BE MAMMALIAN IMMUNITY AND BACTERIAL IRON TRANSPORT. J.AM.CHEM.SOC. V. 130 11524 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3CBC - DBS C10 H11 N O6 c1cc(c(c(c....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4MVK - ACE VAL PHE PHE ALA GLU ASP NH2 n/a n/a
2 4IAX Kd = 0.273 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
3 4IAW Kd = 0.234 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
4 3DSZ Kd = 17.1 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
5 3FW5 - MCT C7 H8 O2 Cc1ccc(c(c....
6 4ZHG Kd = 29 nM 4OL C34 H38 N8 O12 C1=CC(=O)N....
7 1L6M Kd = 7.9 nM DBH C7 H6 O4 c1cc(c(c(c....
8 4ZHF Kd = 22 nM 4OL C34 H38 N8 O12 C1=CC(=O)N....
9 4ZHH Kd = 13 nM SM 4OL n/a n/a
10 4ZHC Kd = 13 nM TC2 C26 H29 N5 O9 c1cc(c(c(c....
11 1QQS - DKA C10 H20 O2 CCCCCCCCCC....
12 1X89 - CM1 C36 H51 Fe N5 O12 C[C@H]1CC(....
13 3FW4 Kd = 0.4 nM CAQ C6 H6 O2 c1ccc(c(c1....
14 1X71 - FE DB1 n/a n/a
15 4ZHD - 4PU Pu [Pu+4]
16 1X8U - CM2 C35 H49 Fe N5 O12 c1ccc2c(c1....
17 6GR0 Kd = 88 pM F8W C34 H50 N6 O11 c1cc(c(cc1....
18 3CBC - DBS C10 H11 N O6 c1cc(c(c(c....
19 5NKN Kd = 120 pM LOC C22 H25 N O6 CC(=O)N[C@....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4MVK - ACE VAL PHE PHE ALA GLU ASP NH2 n/a n/a
2 4IAX Kd = 0.273 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
3 4IAW Kd = 0.234 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
4 3DSZ Kd = 17.1 nM LIZ C30 H45 N5 O13 S c1cc(ccc1C....
5 3FW5 - MCT C7 H8 O2 Cc1ccc(c(c....
6 4ZHG Kd = 29 nM 4OL C34 H38 N8 O12 C1=CC(=O)N....
7 1L6M Kd = 7.9 nM DBH C7 H6 O4 c1cc(c(c(c....
8 4ZHF Kd = 22 nM 4OL C34 H38 N8 O12 C1=CC(=O)N....
9 4ZHH Kd = 13 nM SM 4OL n/a n/a
10 4ZHC Kd = 13 nM TC2 C26 H29 N5 O9 c1cc(c(c(c....
11 1QQS - DKA C10 H20 O2 CCCCCCCCCC....
12 1X89 - CM1 C36 H51 Fe N5 O12 C[C@H]1CC(....
13 3FW4 Kd = 0.4 nM CAQ C6 H6 O2 c1ccc(c(c1....
14 1X71 - FE DB1 n/a n/a
15 4ZHD - 4PU Pu [Pu+4]
16 1X8U - CM2 C35 H49 Fe N5 O12 c1ccc2c(c1....
17 6GR0 Kd = 88 pM F8W C34 H50 N6 O11 c1cc(c(cc1....
18 3CBC - DBS C10 H11 N O6 c1cc(c(c(c....
19 5NKN Kd = 120 pM LOC C22 H25 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DBS; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DBS 1 1
2 EHS 0.678571 0.854167
3 4OZ 0.516129 0.847826
4 LCM 0.471698 0.76
5 PXJ 0.454545 0.730769
6 5LC 0.454545 0.745098
7 8LC 0.446429 0.730769
8 ECA 0.446429 0.744681
9 8SW 0.410256 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CBC; Ligand: DBS; Similar sites found with APoc: 425
This union binding pocket(no: 1) in the query (biounit: 3cbc.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5HWV MBN None
2 5OCG 9R5 None
3 4TW7 37K None
4 2JDR L20 None
5 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU None
6 4NV7 COA None
7 4IPH 1FJ None
8 1V3S ATP None
9 6FA4 D1W None
10 1QKQ MAN None
11 5J75 6GQ None
12 2FXD DR7 None
13 4NJH 2K8 None
14 4NJH SAM None
15 1O44 852 None
16 3JRS A8S None
17 5O1I 9GH 1.0101
18 4QYN RTL 1.50376
19 3TTZ 07N 1.51515
20 4XCB HY0 1.51515
21 2ZMF CMP 1.5873
22 5XDT ZI7 2.0202
23 5D48 L96 2.0202
24 4I53 1C1 2.0202
25 4WHZ 3NL 2.0202
26 5EW9 5VC 2.0202
27 4NFN 2KC 2.0202
28 4D5B ACX 2.0202
29 5XDT MB3 2.0202
30 5UR0 NAD 2.0202
31 5D9G GLU ASN LEU TYR PHE GLN 2.03252
32 4WVO 3UZ 2.20994
33 1OPB RET 2.23881
34 1KZN CBN 2.52525
35 3JQ3 ADP 2.52525
36 4ONA UW1 2.52525
37 5A65 TPP 2.52525
38 4P8K 38C 2.52525
39 4P8K FAD 2.52525
40 2E0N SAH 2.52525
41 4WNK 453 2.52525
42 1ZNY GDP 2.52525
43 2WLG SOP 2.52525
44 5ZZ6 NAD 2.52525
45 4HWT 1B2 2.52525
46 1Q7B NAP 2.52525
47 2WEI VGG 2.52525
48 5F6U 5VK 2.54777
49 1M15 ADP 2.80112
50 1M15 ARG 2.80112
51 2Z77 HE7 2.8777
52 2YJ0 420 2.89855
53 3EFS BTN 3.00429
54 4P5Z Q7M 3.0303
55 1JJE BYS 3.0303
56 5DQ8 FLF 3.0303
57 4CS4 AXZ 3.0303
58 4CS4 ANP 3.0303
59 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 3.0303
60 2QBU SAH 3.0303
61 4L2I NAD 3.0303
62 4OTH DRN 3.0303
63 4G31 0WH 3.0303
64 2JHP SAH 3.0303
65 1PJ6 FOL 3.0303
66 5NKB 8ZT 3.0303
67 3I3X U22 3.0303
68 4CQE CQE 3.0303
69 2H8H H8H 3.0303
70 3V8S 0HD 3.0303
71 5EWK P34 3.0303
72 5UAV TFB 3.0303
73 2Y6O 1N1 3.0303
74 3UP3 XCA 3.0303
75 3AGC RCC 3.0303
76 2YBQ SAH 3.0303
77 5OCQ 9RN G4S 9RN G4S 3.0303
78 3IWJ NAD 3.0303
79 3O0W MAN MAN MAN GLC 3.0303
80 4FK7 P34 3.0303
81 3L9R L9R 3.06122
82 3L9R L9Q 3.06122
83 4IEN GDP 3.06748
84 1K97 CIR 3.07692
85 1K97 ASP 3.07692
86 3E85 BSU 3.16456
87 4K55 H6P 3.22581
88 1VJY 460 3.30033
89 2J9D ADP 3.36134
90 2J9C ATP 3.36134
91 2J9D AMP 3.36134
92 4Z9D NAD 3.42857
93 5N2D 8J8 3.47222
94 4MOB ADP 3.53535
95 2YKL NLD 3.53535
96 2GQS C2R 3.53535
97 5MW4 5JU 3.53535
98 4WUP 3UF 3.53535
99 1WOR RED 3.53535
100 3G5D 1N1 3.53535
101 3DLG GWE 3.53535
102 1U6R ADP 3.53535
103 4XTX 590 3.53535
104 3VKX T3 3.53535
105 3HXU A5A 3.53535
106 5LIA 6XN 3.53535
107 1VRP ADP 3.53535
108 4F4P 0SB 3.53535
109 4ZTD ALA GLY ALA GLY ALA 3.53535
110 2V2V V12 3.53535
111 5UIU 8CG 3.53535
112 5XIJ 873 3.53535
113 5XIJ ANP 3.53535
114 1ZY5 ANP 3.53535
115 3TAY MN0 3.68098
116 5NIU 8YZ 3.90625
117 4FE2 AIR 3.92157
118 3LVW GSH 4.0404
119 4YBN FAD 4.0404
120 4WOE ADP 4.0404
121 3G08 FEE 4.0404
122 5H9Y BGC BGC BGC BGC 4.0404
123 4RF7 ARG 4.0404
124 3KYG 5GP 5GP 4.0404
125 3RWP ABQ 4.0404
126 3A7R LAQ 4.0404
127 2E5A LAQ 4.0404
128 4ITH RCM 4.0404
129 3PE2 E1B 4.0404
130 4UWJ 7L5 4.0404
131 4UWJ MYA 4.0404
132 5X8G S0N 4.0404
133 5DEY 59T 4.0404
134 1B7Y FYA 4.0404
135 4U0I 0LI 4.0404
136 6GIN IR2 4.0404
137 1HXD BTN 4.0404
138 1W96 S1A 4.0404
139 2XG5 EC5 4.04624
140 2XG5 EC2 4.04624
141 3KJQ B94 4.26829
142 5ZJ5 NAI 4.32099
143 2DSA HPX 4.4335
144 4RYV ZEA 4.51613
145 4X3R 686 4.54545
146 4B0T ADP 4.54545
147 4MIB 28M 4.54545
148 3ZXR IQ1 4.54545
149 3ZXR P3S 4.54545
150 1KDK DHT 4.54545
151 2BYS LOB 4.54545
152 1F5F DHT 4.54545
153 4EMV 0R9 4.54545
154 4L3L 5FI 4.54545
155 5LRT ADP 4.54545
156 5HW4 SAM 4.54545
157 3QSB 743 4.54545
158 3MVH WFE 4.54545
159 1SDW IYT 4.54545
160 1V0C KNC 4.54545
161 1V0C ACO 4.54545
162 3UH0 TSB 4.54545
163 4I3V NAD 4.54545
164 1SBR VIB 4.54545
165 1KRR ACO 4.54545
166 5WO4 B7V 4.54545
167 5F3I 5UJ 4.54545
168 4PAB THG 4.54545
169 2J3M PRI 4.54545
170 2J3M ATP 4.54545
171 5CJ3 52G 4.54545
172 2YAB AMP 4.54545
173 5ETJ IM5 4.54545
174 6G0X RAM GLC GLA NAG NDG NAG 4.54545
175 1I0S NAP 4.73373
176 1I0S FMN 4.73373
177 3QXV MTX 4.7619
178 1DL5 SAH 5.04732
179 4B2Z P5S 5.05051
180 3GD9 GLC BGC BGC BGC 5.05051
181 4BG4 ADP 5.05051
182 5OX6 A1Z 5.05051
183 1VA6 ADP 5.05051
184 1VA6 P2S 5.05051
185 3KYF 5GP 5GP 5.05051
186 3B6R ADP 5.05051
187 1LSH PLD 5.05051
188 1QD1 FON 5.05051
189 2QHS OCA 5.05051
190 3TKI S25 5.05051
191 2QHV OC9 5.05051
192 1IDA 0PO 5.05051
193 4L9I 8PR 5.05051
194 1OFL NGK GCD 5.05051
195 1OPK P16 5.05051
196 3P7N FMN 5.05051
197 2OO8 RAJ 5.05051
198 1YFS ALA 5.05051
199 1G51 AMO 5.05051
200 5OM2 DXT 5.05051
201 6CC0 EWM 5.06329
202 1KGI T4A 5.51181
203 2Y6Q I7T 5.55556
204 2AG4 OLA 5.55556
205 2AG4 LP3 5.55556
206 4OYA 1VE 5.55556
207 3HKW IX6 5.55556
208 2YAK OSV 5.55556
209 3RUG DB6 5.55556
210 3JU6 ANP 5.55556
211 5FM0 WAQ 5.55556
212 2PNC CLU 5.55556
213 1WPY BTN 5.55556
214 5T8U LPA 5.55556
215 2ART LPA AMP 5.55556
216 1K0E TRP 5.55556
217 3FW9 SLX 5.55556
218 2J7T 274 5.55556
219 1I1E DM2 5.55556
220 5IUY BOG 5.55556
221 4EWH T77 5.55556
222 5ALC TIQ 5.55556
223 2DXU BT5 5.55556
224 5MJA 7O3 5.55556
225 6FYV 3NG 5.55556
226 5EYP LOC 5.55556
227 5LXT GTP 5.59441
228 4X6F 3XU 5.71429
229 6BE3 NAG 5.72687
230 2A9K NAD 5.8296
231 4USI ATP 5.84416
232 6C5F 7L9 5.98291
233 4X9X OLA 6.06061
234 5W4W 9WG 6.06061
235 3FON VAL ASN ASP ILE PHE GLU ALA ILE 6.06061
236 4KBA 1QM 6.06061
237 5MRH Q9Z 6.06061
238 5YJS SAL 6.06061
239 5H2U 1N1 6.06061
240 1UNB PN1 6.06061
241 1UNB AKG 6.06061
242 6B3V 7DQ 6.06061
243 1F9V ADP 6.06061
244 2JLD AG1 6.06061
245 6GNO XDI 6.06061
246 5HCY 60D 6.06061
247 2WU6 DKI 6.06061
248 2AGC DAO 6.06061
249 6C99 EQY 6.06061
250 1BC5 ACE ASN TRP GLU THR PHE 6.06061
251 3GC8 B45 6.06061
252 5LUN OGA 6.06061
253 2HK5 1BM 6.06061
254 5LUN ARG 6.06061
255 4YRI 4JH 6.06061
256 4HWS 1B3 6.06061
257 5KO1 6UY 6.06061
258 5VAD 91Y 6.06061
259 5VAD PRO 6.06061
260 3ZRM ZRM 6.06061
261 6MPT C30 6.29371
262 1OUK 084 6.56566
263 4I54 1C1 6.56566
264 2G30 ALA ALA PHE 6.56566
265 4LOO SB4 6.56566
266 4E1Z 0MX 6.56566
267 3MF2 AMP 6.56566
268 2APC UDM 6.56566
269 5KJW 53C 6.56566
270 2Z3U CRR 6.56566
271 3VRY B43 6.56566
272 4CSV STI 6.56566
273 4LGY ADP 6.56566
274 2QPU QPU 6.56566
275 2RC5 FAD 6.56566
276 4DQ2 BTX 6.56566
277 2QPU QPS 6.56566
278 3NCQ ATP 6.72269
279 3R96 AMP 6.91489
280 3R96 ACO 6.91489
281 4XIZ LPP 7.05882
282 4RD0 GDP 7.07071
283 5AE2 FAD 7.07071
284 5AE2 FYC 7.07071
285 4TWP AXI 7.07071
286 6EWZ APC 7.07071
287 3OV6 MK0 7.07071
288 1LNM DTX 7.07071
289 5F7N NAG GAL FUC FUC A2G 7.07071
290 1T7Q 152 7.07071
291 1T7Q COA 7.07071
292 3FHI ANP 7.07071
293 5C9J STE 7.07071
294 1REQ DCA 7.07071
295 5VCV 1N1 7.07071
296 5OUH L0B 7.07071
297 5IXG OTP 7.10059
298 5WL1 D3D 7.57576
299 5WL1 CUY 7.57576
300 5N87 N66 7.57576
301 1ZPT FAD 7.57576
302 1S4M LUM 7.57576
303 4NG2 OHN 7.6087
304 6A63 LAT 7.97101
305 4P7U 1PS 8.03571
306 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.08081
307 3PP0 03Q 8.08081
308 4QAC KK3 8.08081
309 4WB7 ATP 8.08081
310 2YC5 6BC 8.08081
311 4WB6 ATP 8.08081
312 2WM4 VGJ 8.08081
313 5Z46 8XL 8.08081
314 6D6L FY4 8.23529
315 1GQG DCD 8.28571
316 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 8.58586
317 5UKL SIX 8.58586
318 5TV6 PML 8.58586
319 3JSX CC2 8.58586
320 6FCX FAD 8.58586
321 5LPB ADP 8.58586
322 5NLD LBT 8.63309
323 4IAE 1DX 8.99471
324 5TUF TDC 9.09091
325 5TUF FAD 9.09091
326 5Y72 DST 9.09091
327 3H0L ADP 9.09091
328 4WO4 JLS 9.09091
329 2RDE C2E 9.09091
330 3T4L ZEA 9.09091
331 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 9.09091
332 1Q8Y ADP 9.09091
333 5ECP MET 9.09091
334 5ECP ATP 9.09091
335 5ECP JAA 9.09091
336 3LXK MI1 9.09091
337 1ODJ GMP 9.09091
338 1Q8Y ADE 9.09091
339 2OJW ADP 9.59596
340 4ZH7 FUC GAL NAG GAL FUC 9.59596
341 4USF 6UI 9.59596
342 5A89 ADP 9.61539
343 5A89 FMN 9.61539
344 3STK PLM 9.84848
345 1GT4 UNA 10.0629
346 5N0L ILE 10.0629
347 1RYD GLC 10.101
348 3TEG DAH 10.101
349 3JRX S1A 10.101
350 3E9I XAH 10.101
351 2OFV 242 10.101
352 3HUJ AGH 10.101
353 5UGH 8AJ 10.101
354 2TPI ILE VAL 10.3448
355 2VDF OCT 10.6061
356 5EEH P9P 10.6061
357 5EEH SAH 10.6061
358 3KV8 FAH 10.7914
359 6GWR FEW 11.1111
360 5HES 032 11.1111
361 1JE1 GMP 11.4407
362 1E1O LYS 11.6162
363 6FYL 3NG 11.6162
364 3G1Z AMP 11.6162
365 4PJT 2YQ 11.6162
366 5O3Q CMP 11.6667
367 2XVD AS6 11.9205
368 1KOR SIN 12.1212
369 1KOR ANP 12.1212
370 1KOR ARG 12.1212
371 4DXD 9PC 12.1212
372 3A5Z KAA 12.1212
373 5F7Y GLC GAL NAG GAL FUC A2G 12.1212
374 3A5Y KAA 12.1212
375 2RKV COA 12.1212
376 3EM0 CHD 12.3188
377 3RZ3 U94 12.5683
378 2RCU BUJ 12.6263
379 6FK6 DOK 12.6263
380 1VCE SAH 12.6263
381 1ELI PYC 12.6263
382 5EJL C2E 13.1313
383 4DVR 0LY 13.1313
384 2C78 PUL 13.1313
385 6DW2 HD4 13.1313
386 1T57 FMN 13.1313
387 1WNG SAH 13.1313
388 3T50 FMN 13.2812
389 4R38 RBF 13.5714
390 6H39 FGY 13.6364
391 1ZB6 GST 13.6364
392 1ZB6 DIN 13.6364
393 5DYO FLU 14.1414
394 5BVE 4VG 14.1414
395 1TT8 PHB 14.1414
396 2BJK NAD 14.1414
397 1YEJ PNF 14.1414
398 5VN0 NAI 14.6465
399 3Q9O NAD 14.6465
400 3DZ6 M8E 14.9254
401 2P1M IHP 15
402 2P1O IHP 15
403 2P1O NLA 15
404 4RT1 C2E 15.1786
405 4L4V 1VY 15.6566
406 3MCT SAH 15.6566
407 3MAG SAH 15.6566
408 5AYT L6Y 15.7233
409 3TCT 3MI 16.6667
410 5VNF VAL THR SER VAL VAL 17.6768
411 5Y4R C2E 17.931
412 5XLY C2E 19.5489
413 5KY9 GDP 20
414 4TSZ ACE GLN ALC ASP LEU ZCL 20.7071
415 2QCS ANP 21.2121
416 1DZK PRZ 21.6561
417 4N70 2HX 24.7475
418 4K3H 1OM 26.2712
419 1ERB ETR 26.7677
420 4O9S 2RY 27.2727
421 2GJ5 VD3 31.4815
422 3SAO DBH 33.125
423 1QY1 PRZ 37.931
424 3KFF XBT 43.8272
425 3KFF ZBT 43.8272
Pocket No.: 2; Query (leader) PDB : 3CBC; Ligand: DBS; Similar sites found with APoc: 75
This union binding pocket(no: 2) in the query (biounit: 3cbc.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1CLU DBG None
2 3QRC SCR None
3 1YRX FMN None
4 4ZSI GLP None
5 2UX9 FMN None
6 5VM6 9EG None
7 4V24 GYR 1.34771
8 5VC5 96M 2.0202
9 2GZ3 NAP 2.52525
10 5N9X 8QN 2.52525
11 3TFJ THG 2.52525
12 1NYW DAU 2.53807
13 2FY3 CHT 3.0303
14 2YBQ UP2 3.0303
15 3TTI KBI 3.53535
16 5XVG 8FX 3.53535
17 2XGT NSS 3.53535
18 3H4L ANP 3.53535
19 3ZJX BOG 3.53535
20 1JG3 ADN 3.53535
21 5WS9 AMP 3.53535
22 3MTX PGT 3.97351
23 6A1G 9OL 4.0404
24 3CIF G3H 4.0404
25 3E2M E2M 4.0404
26 3CW9 AMP 4.0404
27 2AZ5 307 4.05405
28 3O9L LPN 4.54545
29 2V0U FMN 4.79452
30 5EFW FMN 4.82759
31 5DJU FMN 4.91803
32 5HV7 RBL 5.05051
33 5N5S NAP 5.55556
34 5C5H 4YB 5.55556
35 5LYH 7B8 5.69948
36 5H9Q TD2 5.80645
37 3ACL 3F1 6.06061
38 6B3V ANP 6.06061
39 4XMF HSM 6.06061
40 1IR3 ANP 6.06061
41 4H2W 5GP 6.56566
42 4S3F 43W 6.56566
43 3NZ1 3NY 7.07071
44 5U98 1KX 7.57576
45 5UXH GFB 7.57576
46 2VPQ ANP 7.57576
47 4NS3 NAD 7.57576
48 6CZI 38E 8.03571
49 2XXP DSL 8.08081
50 5GSN FAD 8.08081
51 5L2R MLA 8.58586
52 2GTF P1R 9.59596
53 4GID 0GH 9.59596
54 5HZ5 65X 9.70149
55 2IU8 PLM 10.101
56 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 10.6061
57 6G9I CXX 10.7143
58 1T36 ADP 11.1111
59 5IXH OTP 11.1801
60 1EFY BZC 11.6162
61 4J36 1HR 12.1212
62 1XRO LEU 12.1212
63 4P7X AKG 12.6263
64 4P7X YCP 12.6263
65 5OVL NAP 13.1313
66 5GLT BGC GAL NAG GAL 13.1313
67 3LF0 ATP 13.1579
68 2DQU CPD 13.6364
69 2PR5 FMN 14.3939
70 1I7M CG 14.9254
71 2NSX IFM 15.6566
72 5TVF CGQ 16.6667
73 5V1B 8UY 16.6667
74 3KFC 61X 17.6768
75 3A16 PXO 29.2929
Pocket No.: 3; Query (leader) PDB : 3CBC; Ligand: DBS; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 3cbc.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1UYY BGC BGC 1.52672
2 1PHK ATP 2.0202
3 2YNE YNE 2.52525
4 2YNE NHW 2.52525
5 5JJU AMP 2.52525
6 2V1O COA 2.64901
7 4XV1 904 3.0303
8 3C1X CKK 3.0303
9 5EKO N17 3.53535
10 3VZ3 SSN 3.53535
11 3VZ3 NAP 3.53535
12 5N2F 8HW 4.03226
13 2WSA MYA 4.0404
14 2WSA 646 4.0404
15 4I8P NAD 4.0404
16 2Y5D NAP 4.0404
17 5LVP ATP 4.0404
18 5KD6 6C7 4.54545
19 4QVX 3CQ 4.54545
20 5L13 6ZE 4.54545
21 6FNU FAD 5.05051
22 5UCD NAP 5.05051
23 4A0M NAD 5.55556
24 6G33 5ID 5.55556
25 3GZ8 APR 5.55556
26 2WOX NDP 5.55556
27 3IDB ANP 5.59006
28 5FPE 3TR 6.06061
29 3HAZ NAD 6.06061
30 4QMN DB8 6.56566
31 3JVH HHV 6.56566
32 4Z87 GDP 6.56566
33 2RIO ADP 6.56566
34 1V9A SAH 6.56566
35 3SLS ANP 6.56566
36 4KYS VIB 6.56566
37 1PVN MZP 6.56566
38 5KF6 NAD 7.57576
39 5F7J ADE 10.101
40 1MDC PLM 11.3636
41 2RKV ZBA 12.1212
42 1JIF CU BLM 12.1212
APoc FAQ
Feedback