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Receptor
PDB id Resolution Class Description Source Keywords
2YLD 1.25 Å NON-ENZYME: OTHER RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A ACHROMOBACTER XYLOSOXIDANS ELECTRON TRANSPORT HAEMOPROTEIN 4-HELIX BUNDLE
Ref.: CARBON MONOXIDE POISONING IS PREVENTED BY THE ENERG OF CONFORMATIONAL CHANGES IN GAS- BINDING HAEMPROTE PROC.NATL.ACAD.SCI.USA V. 108 15780 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASC A:130;
Invalid;
none;
submit data
176.124 C6 H8 O6 C([C@...
CMO A:129;
Valid;
none;
Kd = 3.4 pM
28.01 C O [C-]#...
HEC A:128;
Part of Protein;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
SO4 A:131;
A:132;
Invalid;
Invalid;
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
2YLD 1.25 Å NON-ENZYME: OTHER RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A ACHROMOBACTER XYLOSOXIDANS ELECTRON TRANSPORT HAEMOPROTEIN 4-HELIX BUNDLE
Ref.: CARBON MONOXIDE POISONING IS PREVENTED BY THE ENERG OF CONFORMATIONAL CHANGES IN GAS- BINDING HAEMPROTE PROC.NATL.ACAD.SCI.USA V. 108 15780 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CMO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YLD; Ligand: CMO; Similar sites found with APoc: 422
This union binding pocket(no: 1) in the query (biounit: 2yld.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1M13 HYF None
2 4OIV XX9 None
3 2ZFZ ARG None
4 1YP0 PEF None
5 2EW5 Y12 None
6 3OGN 3OG None
7 1Z0S ATP None
8 1ZEI CRS None
9 1ZDT PEF None
10 5Y02 HBX None
11 3BEJ MUF None
12 5ICK FEZ None
13 2FR3 REA None
14 2CDN ADP None
15 3RUU 37G None
16 4LWU 20U None
17 2Z6C FMN None
18 1X0P FAD None
19 1N46 PFA None
20 3KDU NKS None
21 4D7M TDC None
22 5BYK OAQ None
23 5BYK A3P None
24 3OKI OKI None
25 1UO5 PIH None
26 2OZ5 7XY None
27 1TIQ COA None
28 5UC4 83S None
29 2HJ3 FAD None
30 1WS1 BB2 None
31 1K7L 544 None
32 6AYH C3G None
33 4X8O AP5 None
34 5BVT PAM None
35 5AHS COA None
36 1FK5 OLA None
37 4B7P 9UN None
38 3EWK FAD None
39 3FEI CTM None
40 1UVC STE None
41 4WG0 CHD None
42 3FRQ ERY None
43 1UO4 PIH None
44 2EV1 OLA None
45 4MKG AP5 None
46 3DCT 064 None
47 1OW4 2AN None
48 2YI0 YI0 None
49 3KP6 SAL None
50 4O4Z N2O None
51 1NRL SRL None
52 1LRI CLR None
53 4WRI OKA None
54 3R1V AZB None
55 2Z6D FMN None
56 1SUW NAP None
57 1MT1 AG2 None
58 4RHE FMN None
59 2HFN FMN None
60 3MBG FAD None
61 5OWC AYZ None
62 3SP6 IL2 None
63 1DTL BEP None
64 4F4S EFO None
65 1XX4 BAM None
66 2NPA MMB None
67 2P4Y C03 1.5748
68 3GZ9 D32 1.5748
69 2ZCQ B65 1.5748
70 1PZO CBT 1.5748
71 5TWO 7MV 1.5748
72 2DSA HPX 1.5748
73 2DSA GSH 1.5748
74 1Q2C COA 1.5748
75 4QJR PIZ 2.04082
76 3H2B SAH 2.3622
77 3SHZ 5CO 2.3622
78 1GHE ACO 2.3622
79 4R38 RBF 2.3622
80 3ET3 ET1 2.3622
81 5HGZ ACO 2.3622
82 3BL7 DD1 2.3622
83 3ET1 ET1 2.3622
84 1POC GEL 2.3622
85 3OJI PYV 2.3622
86 1UHK CZN 2.3622
87 2PR5 FMN 2.3622
88 5HH0 COA 2.3622
89 5K53 STE 2.3622
90 3AI3 SOE 2.3622
91 4EES FMN 2.6087
92 4WT2 3UD 2.85714
93 4OGN 2U5 2.85714
94 4OAS 2SW 3.125
95 1YMT DR9 3.14961
96 5AAV GW5 3.14961
97 2QE4 JJ3 3.14961
98 2BJ4 OHT 3.14961
99 2QZO KN1 3.14961
100 4RC8 STE 3.14961
101 4MGD 27N 3.14961
102 4MG7 27H 3.14961
103 1IYK MYA 3.14961
104 4TV1 36M 3.14961
105 5DXG EST 3.14961
106 5HYR EST 3.14961
107 5DXE EST 3.14961
108 4MG8 27J 3.14961
109 5DX3 EST 3.14961
110 4TUZ 36J 3.14961
111 5WGQ EST 3.14961
112 5MW4 5JU 3.14961
113 2XSU PIE 3.14961
114 2QA8 GEN 3.14961
115 4MG9 27K 3.14961
116 2E2R 2OH 3.14961
117 3T50 FMN 3.14961
118 4MGB XDH 3.14961
119 3NRR D16 3.14961
120 3UUD EST 3.14961
121 1RV1 IMZ 3.52941
122 1S17 GNR 3.93701
123 2Y31 SMQ 3.93701
124 6F68 4EU 3.93701
125 6IIU A8X 3.93701
126 2C6Q NDP 3.93701
127 5LNQ CAA 3.93701
128 6GBV FMN 3.93701
129 1FP1 HCC 3.93701
130 6F68 GSH 3.93701
131 4RW3 PLM 3.93701
132 1Z8O DEB 3.93701
133 3GYT DL4 3.93701
134 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 3.93701
135 3T58 FAD 3.93701
136 6BMS PLM 3.93701
137 1LQY BB2 3.93701
138 2OKL BB2 3.93701
139 3TTC ADP 3.93701
140 2PSM BAM 4.13223
141 5N5U 7N8 4.72441
142 2O4J VD4 4.72441
143 2RH1 CLR 4.72441
144 3IIS PID 4.72441
145 2Z7I 742 4.72441
146 4INW 1EY 4.72441
147 4DXJ IPE 4.72441
148 5LOF 70R 4.72441
149 5EW9 5VC 4.72441
150 1U8V FAD 4.72441
151 1BGQ RDC 4.72441
152 5N5U AMP 4.72441
153 4ZVI 4S4 4.72441
154 5VRH OLC 4.72441
155 6CR2 LFV 4.72441
156 5AZC PGT 4.72441
157 4DM8 REA 4.72441
158 4XVX P33 FDA 4.72441
159 1HK8 DGT 4.72441
160 1XAP TTB 4.72441
161 4IBF 1D5 4.72441
162 5TUX ECH 4.72441
163 2XCG XCG 4.72441
164 4H3P ANP 4.72441
165 2PV7 NAD 4.72441
166 1DQE BOM 4.72441
167 5W8Q BU4 4.72441
168 3H2K BOG 4.72441
169 4CQ5 TCA 4.72441
170 5U97 PIT 4.72441
171 2GTE VA 4.83871
172 2IYG FMN 4.83871
173 1YRX FMN 4.95868
174 2GJ3 FAD 5
175 3D78 NBB 5.04202
176 4LPG 1MV 5.51181
177 2UXI G50 5.51181
178 2QJY SMA 5.51181
179 4YC9 4C1 5.51181
180 5J6A P46 5.51181
181 3WYJ H78 5.51181
182 5E7V M7E 5.51181
183 3KFC 61X 5.51181
184 4UDB CV7 5.51181
185 5NTW 98N 5.51181
186 4DK7 0KS 5.51181
187 5NTP 98E 5.51181
188 4C2X NHW 5.51181
189 3IPQ 965 5.51181
190 3V49 PK0 5.51181
191 1XZ3 ICF 5.51181
192 5K52 OCD 5.51181
193 3L0E G58 5.51181
194 1I00 D16 5.51181
195 5L7G 6QE 5.51181
196 5MWY YNU 5.51181
197 4WPF 3SN 5.51181
198 2XCM ADP 5.51181
199 5HCV 60R 5.51181
200 3KMZ EQO 5.51181
201 4WUJ FMN 5.51181
202 1XRO LEU 5.51181
203 5G57 6M5 5.51181
204 2WCJ M21 5.51181
205 2J4K U5P 5.51181
206 2A3I C0R 5.51181
207 1DKF OLA 5.51181
208 2Q2Y ADP 5.51181
209 2Q2Y MKR 5.51181
210 1N83 CLR 5.51181
211 2QCX PF1 5.51181
212 2ZKJ ADP 5.51181
213 3G5N PB2 5.51181
214 6ESN BWE 5.51181
215 3KMR EQN 5.51181
216 2WH8 II2 5.51181
217 4U82 FPS 5.51181
218 5NI5 8YB 5.51181
219 5APK 76E 5.51181
220 1FDQ HXA 6.29921
221 3QUZ QUV 6.29921
222 5LJ0 6XX 6.29921
223 5C1M OLC 6.29921
224 1SR7 MOF 6.29921
225 6D28 NEC 6.29921
226 6F6E PLM 6.29921
227 5HZ5 65X 6.29921
228 2RHQ GAX 6.29921
229 3RUG DB6 6.29921
230 1TO9 HMH 6.29921
231 3PVT 3HC 6.29921
232 3FS1 MYR 6.29921
233 2GFD RDA 6.29921
234 2Q1H AS4 6.29921
235 4DVE BTN 6.29921
236 4ELG 52J 6.29921
237 4OAR 2S0 6.29921
238 2W41 ADP 6.29921
239 4IA6 EIC 6.29921
240 1F28 F89 6.29921
241 6G5J EM8 6.66667
242 1BZL GCG 7.08661
243 4LSJ LSJ 7.08661
244 4DSG UDP 7.08661
245 4DSG FAD 7.08661
246 3CQL NAG 7.08661
247 4P6X HCY 7.08661
248 3CQL NDG 7.08661
249 4YSX EPH 7.08661
250 2XN5 FUN 7.08661
251 4E2J MOF 7.08661
252 4DR9 BB2 7.08661
253 2R40 20E 7.08661
254 4PA0 2OW 7.08661
255 2XFH CL6 7.08661
256 4MKF AP5 7.08661
257 4OKZ 3E9 7.08661
258 2YNC YNC 7.08661
259 2HKJ RDC 7.08661
260 3GN8 DEX 7.08661
261 1M2Z DEX 7.08661
262 5LI9 ACP 7.08661
263 5BQI 4UL 7.08661
264 5BQI GSH 7.08661
265 2FV5 541 7.08661
266 5GM1 SAH 7.08661
267 5UFS 1TA 7.08661
268 5G3N X28 7.08661
269 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 7.08661
270 3BQD DAY 7.08661
271 3MKH FAD 7.08661
272 2GBB CIT 7.08661
273 5MZY 8EZ 7.08661
274 2R40 EPH 7.08661
275 4V2O CLQ 7.31707
276 6EQ8 BQZ 7.87402
277 5W7B MYR 7.87402
278 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.87402
279 3LN0 52B 7.87402
280 1G27 BB1 7.87402
281 2FXU BID 7.87402
282 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 7.87402
283 4IVG ANP 7.87402
284 2D1K ATP 7.87402
285 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.87402
286 4F06 PHB 7.87402
287 2BJU IH4 7.87402
288 3Q60 ATP 7.87402
289 3JZB 4HY 7.87402
290 4HBM 0Y7 8.33333
291 4ORM ORO 8.66142
292 4ORM FMN 8.66142
293 4ORM 2V6 8.66142
294 3E3U NVC 8.66142
295 3TGE TGE 8.66142
296 2LBD REA 8.66142
297 1W96 S1A 8.66142
298 1FCZ 156 8.66142
299 5OLK DTP 8.66142
300 5BNS 4VM 8.66142
301 4X8D AVI 8.66142
302 5XFV FMN 8.66142
303 3RMK BML 8.66142
304 1F4G TP4 8.66142
305 3W54 RNB 8.66142
306 1TV5 N8E 8.66142
307 1W2Y DUN 8.66142
308 4ISK 1JY 8.66142
309 4QOS ADP 8.66142
310 1DB1 VDX 9.44882
311 3FC4 EDO 9.44882
312 3JRX S1A 9.44882
313 5N9T 8QQ 9.44882
314 3GQT UFO 9.44882
315 3RDE OYP 9.44882
316 5B25 4QJ 9.44882
317 3C3N FMN 9.44882
318 1JQ9 PHE LEU SER TYR LYS 9.91736
319 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 10
320 5WL1 D3D 10.101
321 4QWT ACD 10.2362
322 4QGE 35O 10.2362
323 2ZFU SAH 10.2362
324 6FX0 E9T 10.2362
325 5F1R 42O 10.2362
326 3EWC MCF 10.2362
327 3A7R LAQ 11.0236
328 5EK3 5PK 11.0236
329 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 11.0236
330 5UWA 8ND 11.0236
331 4MRP GSH 11.0236
332 5HWO HMG 11.0236
333 5LX9 OLB 11.0236
334 2F59 INI 11.0236
335 5LX9 OLA 11.0236
336 2PRG BRL 11.3636
337 5LWY OLB 11.7647
338 5LWY OLA 11.7647
339 5MBC FMN 11.811
340 1YOK P6L 11.811
341 5B4B LP5 11.811
342 5OLZ T4E 11.811
343 3ABA FLI 11.811
344 3I51 6PL 11.811
345 3EE4 MYR 11.811
346 5UNJ RJW 11.811
347 1YUC EPH 11.811
348 1ZDU P3A 11.811
349 4EMV 0R9 11.811
350 4PNE SAH 12.2517
351 2O5L MNR 12.5984
352 1XVB BHL 12.5984
353 4IGH ORO 12.5984
354 4IGH FMN 12.5984
355 4IGH 1EA 12.5984
356 5HSA FAS 12.5984
357 3A51 VDY 12.5984
358 5UC1 486 12.5984
359 6AD9 KK4 12.5984
360 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 13.3333
361 2D5Z L35 13.3858
362 3CXH SMA 13.3858
363 3CX5 SMA 13.3858
364 2IBZ SMA 13.3858
365 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 13.3858
366 1EZV SMA 13.3858
367 4WB6 ATP 13.3858
368 2YOO K2B 13.3858
369 1YSL COA 14.1732
370 3BJC WAN 14.1732
371 3K9U ACO 14.1732
372 4IZC 1GZ 14.1732
373 4OHU 2TK 14.9606
374 4OHU NAD 14.9606
375 4EIL CB3 14.9606
376 3WCA FPS 15.748
377 4M8E 29V 15.748
378 6A5Y 9R0 15.748
379 4POJ 2VP 15.748
380 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 15.748
381 2Y69 CHD 15.748
382 4OGQ 7PH 15.748
383 5ECP ATP 15.748
384 5ECP JAA 15.748
385 5ECP MET 15.748
386 1FM9 570 15.748
387 3FAL LO2 15.748
388 1RDT 570 15.748
389 4OGQ 1O2 15.748
390 4WZH FMN 15.748
391 1FM9 9CR 15.748
392 5UGW GSH 16.5354
393 1LOX RS7 16.5354
394 5UXM TRP 16.5354
395 4WO4 JLS 17.3228
396 2P1C GG3 17.3228
397 2A06 SMA 18.1102
398 2DYS TGL 18.3486
399 2DYR PGV 18.3486
400 5Z84 PGV 18.3486
401 5ZCO PGV 18.3486
402 5Z84 CHD 18.3486
403 2DYS PGV 18.3486
404 5W97 CHD 18.3486
405 2DYR TGL 18.3486
406 5ZCO TGL 18.3486
407 2DYR PEK 18.3486
408 5ZCO CHD 18.3486
409 5Z84 TGL 18.3486
410 2VHW NAI 18.8976
411 5U98 1KX 19.685
412 1R6N 434 20.4724
413 4LY9 1YY 21.2598
414 4LY9 S6P 21.2598
415 3OLL EST 21.2598
416 2YJD YJD 21.2598
417 4J26 EST 21.2598
418 4J24 EST 21.2598
419 5G5W R8C 24.4094
420 1NHZ 486 24.4094
421 4BNU 9KQ 28.3465
422 5IM3 DTP 38.5827
Pocket No.: 2; Query (leader) PDB : 2YLD; Ligand: CMO; 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: 2yld.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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