Receptor
PDB id Resolution Class Description Source Keywords
4ejh 2.35 Å EC: 1.14.14.1 HUMAN CYTOCHROME P450 2A13 IN COMPLEX WITH 4-(METHYLNITROSAM PYRIDYL)-1-BUTANONE (NNK) HOMO SAPIENS CYP2A13 CYTOCHROME P450 2A13 P450 2A13 HEME PROTEIN MONOOXYGENASE DRUG METABOLISM XENOBIOTIC METABOLISM ENDORETICULUM MEMBRANE OXIDOREDUCTASE
Ref.: NICOTINE AND 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BINDING AND ACCESS CHANNEL IN HUMAN CYTOCHROME P450 2A13 ENZYMES. J.BIOL.CHEM. V. 287 26576 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0QA A:502;
B:502;
C:502;
D:502;
E:502;
F:502;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 Kd = 4.4 uM
207.229 C10 H13 N3 O2 CN(CC...
GOL G:502;
H:502;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
HEM A:501;
B:501;
C:501;
D:501;
E:501;
F:501;
G:501;
H:501;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FDW 2.05 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF HUMAN MICROSOMAL P450 2A6 WITH THE INHIBITOR (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE BOUND HOMO SAPIENS CYP2A6 P450 2A6 P450 MONOOXYGENASE DRUG METABOLIZING ENZYME COUMARIN 7-HYDROXYLASE NICOTINE OXIDASE OXIDOREDUCTASE
Ref.: SYNTHETIC INHIBITORS OF CYTOCHROME P-450 2A6: INHIBITORY ACTIVITY, DIFFERENCE SPECTRA, MECHANISM OF INHIBITION, AND PROTEIN COCRYSTALLIZATION. J.MED.CHEM. V. 49 6987 2006
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
30 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
31 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
32 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
33 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
34 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
35 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
36 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
37 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
38 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
39 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
40 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
41 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
42 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 4XRZ ic50 = 0.37 uM SI6 C16 H16 F2 N4 O S c1cc(c(cc1....
30 4WNU - QDN C20 H24 N2 O2 COc1ccc2c(....
31 4WNV - QI9 C20 H24 N2 O2 COc1ccc2c(....
32 4XRY ic50 = 13.9 uM SI5 C17 H18 F2 N4 O S Cn1cc(cn1)....
33 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
34 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
35 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
36 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
37 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
38 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
39 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
40 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
41 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
42 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
43 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
44 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
45 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
46 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0QA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0QA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 0QA; Similar ligands found: 398
No: Ligand Similarity coefficient
1 6C5 0.9531
2 6C9 0.9498
3 GHQ 0.9484
4 0OM 0.9470
5 5TO 0.9449
6 6FG 0.9438
7 BZM 0.9417
8 HPZ 0.9407
9 BSA 0.9400
10 4BX 0.9372
11 HPK 0.9365
12 HPX 0.9364
13 KPV 0.9353
14 EYJ 0.9329
15 PZX 0.9321
16 NFZ 0.9293
17 6MW 0.9276
18 JF5 0.9244
19 RDV 0.9215
20 IJ6 0.9197
21 4Z0 0.9182
22 STV 0.9175
23 D53 0.9172
24 N18 0.9170
25 P93 0.9163
26 5PV 0.9163
27 N9M 0.9153
28 0XR 0.9153
29 8YH 0.9153
30 L12 0.9123
31 RAY 0.9119
32 MKN 0.9118
33 S0B 0.9115
34 TPM 0.9114
35 2JX 0.9112
36 DI9 0.9110
37 WA2 0.9107
38 3CX 0.9103
39 SB7 0.9102
40 JGY 0.9101
41 LPA 0.9098
42 SZA 0.9098
43 DA3 0.9097
44 EYY 0.9088
45 27K 0.9070
46 WA1 0.9065
47 S7G 0.9064
48 1HR 0.9064
49 D26 0.9063
50 1Q1 0.9059
51 KYN 0.9057
52 I2E 0.9054
53 ZZU 0.9051
54 FPL 0.9051
55 52F 0.9048
56 3S9 0.9045
57 1Q2 0.9039
58 OJD 0.9027
59 HWH 0.9026
60 BSU 0.9026
61 11X 0.9020
62 H35 0.9018
63 TRP 0.9018
64 0V7 0.9017
65 PHQ DAL 0.9014
66 D1Y 0.9013
67 NK5 0.9012
68 QJ1 0.9011
69 S7D 0.9010
70 6C4 0.9010
71 FTK 0.9002
72 2L1 0.9001
73 5ER 0.8998
74 NAL 0.8997
75 C1E 0.8993
76 RV1 0.8992
77 3IP 0.8988
78 R7T 0.8988
79 6C8 0.8986
80 IAG 0.8984
81 HDI 0.8982
82 IJ1 0.8975
83 MFY 0.8974
84 1OH 0.8973
85 EGV 0.8972
86 ZE7 0.8971
87 REG 0.8966
88 3D3 0.8964
89 AVA 0.8963
90 F91 0.8961
91 XI7 0.8959
92 CT0 0.8958
93 S8P 0.8957
94 8EU 0.8956
95 6FR 0.8955
96 LL2 0.8954
97 HLP 0.8954
98 GJG 0.8953
99 S46 0.8953
100 IOP 0.8952
101 1CM 0.8948
102 7VY 0.8947
103 0QV 0.8947
104 B41 0.8945
105 NBB 0.8945
106 YIH 0.8938
107 GNR 0.8938
108 536 0.8935
109 M2C 0.8934
110 9VZ 0.8933
111 IJ4 0.8932
112 C0V 0.8932
113 J4K 0.8930
114 08D 0.8929
115 Q86 0.8926
116 F6R 0.8925
117 2P3 0.8924
118 DG6 0.8921
119 HAR 0.8920
120 C4E 0.8920
121 D25 0.8919
122 E9S 0.8918
123 5LD 0.8917
124 35K 0.8917
125 ZEA 0.8912
126 JBB 0.8912
127 JKK 0.8907
128 HL6 0.8907
129 1PS 0.8906
130 9BF 0.8906
131 22F 0.8906
132 C0E 0.8905
133 5EZ 0.8905
134 6IP 0.8905
135 D1G 0.8902
136 3G3 0.8901
137 3KJ 0.8896
138 B5A 0.8896
139 6N4 0.8894
140 PTB 0.8893
141 1EB 0.8892
142 0V8 0.8888
143 36M 0.8885
144 8BD 0.8884
145 TZM 0.8883
146 4ZD 0.8880
147 HNM 0.8878
148 JFM 0.8877
149 7Y3 0.8876
150 CUQ 0.8875
151 GGG 0.8874
152 KWV 0.8873
153 H48 0.8872
154 WCU 0.8872
155 TEF 0.8870
156 IPJ 0.8870
157 9JH 0.8866
158 4CN 0.8864
159 2L2 0.8862
160 RE4 0.8861
161 HRG 0.8860
162 68B 0.8858
163 D9Q 0.8857
164 2OH 0.8857
165 ZIP 0.8854
166 G2V 0.8851
167 X6P 0.8850
168 L02 0.8849
169 YTZ 0.8848
170 BXS 0.8847
171 7EH 0.8841
172 PUE 0.8840
173 3VR 0.8839
174 CWP 0.8837
175 U4G 0.8837
176 8CV 0.8833
177 7HV 0.8833
178 RB7 0.8829
179 CW6 0.8829
180 JXQ 0.8828
181 TCR 0.8825
182 BGT 0.8824
183 4ZF 0.8823
184 848 0.8823
185 5WN 0.8823
186 CIU 0.8822
187 0MB 0.8822
188 JVD 0.8818
189 7KE 0.8815
190 HSA 0.8814
191 H0V 0.8812
192 LJ1 0.8812
193 EPE 0.8811
194 GGB 0.8810
195 0OY 0.8807
196 M5A 0.8806
197 7ZO 0.8805
198 58X 0.8802
199 613 0.8802
200 9JT 0.8800
201 VJJ 0.8800
202 KLS 0.8799
203 HS6 0.8798
204 9VQ 0.8798
205 4TX 0.8793
206 D2G 0.8793
207 G30 0.8791
208 6JD 0.8787
209 YE6 0.8787
210 QJA 0.8786
211 0OP 0.8785
212 DA2 0.8784
213 BTN 0.8784
214 109 0.8784
215 DX6 0.8782
216 DBE 0.8782
217 1PB 0.8781
218 GG8 0.8781
219 MGB 0.8780
220 S45 0.8780
221 ML1 0.8779
222 EEK 0.8778
223 1AJ 0.8778
224 P1J 0.8777
225 96Z 0.8776
226 4Z9 0.8775
227 72D 0.8774
228 2J3 0.8772
229 39R 0.8772
230 8CC 0.8772
231 G6Q 0.8772
232 ISC 0.8770
233 F63 0.8767
234 4YZ 0.8762
235 ALY 0.8761
236 246 0.8760
237 7PJ 0.8759
238 SFY 0.8759
239 8Y7 0.8758
240 108 0.8757
241 RKY 0.8757
242 IPL 0.8756
243 FHV 0.8755
244 MQR 0.8755
245 WVV 0.8754
246 EMU 0.8753
247 7N8 0.8753
248 BZQ 0.8752
249 RNK 0.8751
250 V15 0.8751
251 7PS 0.8751
252 DTB 0.8750
253 S0A 0.8749
254 3CR 0.8748
255 G8V 0.8747
256 KWK 0.8746
257 D4G 0.8745
258 NRG 0.8744
259 VJP 0.8743
260 5HG 0.8743
261 SJR 0.8742
262 PMM 0.8738
263 HJ1 0.8734
264 TYR 0.8732
265 AX5 0.8732
266 ARG 0.8731
267 83D 0.8731
268 9J6 0.8730
269 0A1 0.8730
270 8V8 0.8728
271 68C 0.8726
272 397 0.8725
273 LJ2 0.8725
274 4JK 0.8724
275 4AF 0.8722
276 5KJ 0.8721
277 ZTW 0.8719
278 EYV 0.8715
279 M4N 0.8714
280 ZYC 0.8714
281 EXG 0.8711
282 1Q4 0.8710
283 D9Z 0.8710
284 4AU 0.8708
285 STL 0.8707
286 FCW 0.8707
287 AGP 0.8703
288 5WK 0.8702
289 M28 0.8700
290 0ON 0.8700
291 2J5 0.8698
292 IMI 0.8697
293 H4B 0.8697
294 JVB 0.8697
295 37E 0.8696
296 JCQ 0.8695
297 PMV 0.8695
298 ILO 0.8695
299 WT2 0.8695
300 A8K 0.8695
301 PHE ALA 0.8694
302 RF2 0.8693
303 RPN 0.8692
304 OLU 0.8691
305 3QO 0.8690
306 1FE 0.8688
307 Q5M 0.8685
308 EX7 0.8683
309 L2K 0.8682
310 JOT 0.8680
311 RSV 0.8677
312 2M7 0.8673
313 LI7 0.8671
314 SNR 0.8671
315 IEE 0.8670
316 5NR 0.8669
317 S1D 0.8668
318 TX4 0.8667
319 N08 0.8664
320 FT6 0.8663
321 CX5 0.8661
322 M5B 0.8659
323 RLG 0.8659
324 TFQ 0.8658
325 4YE 0.8658
326 ZUF 0.8657
327 KAP 0.8656
328 5O6 0.8656
329 YOF 0.8654
330 6DQ 0.8650
331 N5B 0.8648
332 0QR 0.8648
333 3SU 0.8647
334 DHC 0.8647
335 IXG 0.8646
336 4TB 0.8642
337 20N 0.8641
338 BTQ 0.8641
339 AZY 0.8641
340 VBC 0.8639
341 HA6 0.8637
342 FY8 0.8636
343 S2C 0.8635
344 EUH 0.8635
345 0UL 0.8633
346 H3W 0.8632
347 PPN 0.8632
348 LR2 0.8631
349 N9J 0.8631
350 S0D 0.8630
351 2OX 0.8629
352 1ER 0.8628
353 FZ3 0.8628
354 1HP 0.8627
355 PML 0.8624
356 MQS 0.8621
357 AC2 0.8619
358 PHE 0.8619
359 IM4 0.8617
360 SYE 0.8616
361 CTE 0.8616
362 JSX 0.8612
363 3K1 0.8610
364 A9B 0.8606
365 EF0 0.8601
366 HPP 0.8601
367 HBI 0.8598
368 J9Y 0.8598
369 D8Q 0.8595
370 AUV 0.8595
371 Q2S 0.8593
372 4MP 0.8593
373 L5D 0.8591
374 S6P 0.8588
375 PAU 0.8583
376 EMF 0.8579
377 BGK 0.8578
378 M6R 0.8577
379 M25 0.8576
380 BX4 0.8575
381 GJB 0.8575
382 27L 0.8574
383 J1K 0.8573
384 IBP 0.8570
385 RE2 0.8566
386 0DF 0.8564
387 IPE 0.8564
388 VUR 0.8560
389 IW5 0.8555
390 TI7 0.8551
391 AHC 0.8551
392 23N 0.8550
393 PTR 0.8545
394 AOY 0.8540
395 47V 0.8539
396 0OL 0.8532
397 SYD 0.8526
398 JZA 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2FDW; Ligand: D3G; 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: 2fdw.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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