Receptor
PDB id Resolution Class Description Source Keywords
1DQA 2 Å EC: 1.1.1.34 COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE COA, AND NADP+ HOMO SAPIENS OXIDOREDUCTASE CHOLESTEROL BIOSYNTHESIS HMG-COA NADPH
Ref.: CRYSTAL STRUCTURE OF THE CATALYTIC PORTION OF HUMAN REDUCTASE: INSIGHTS INTO REGULATION OF ACTIVITY AND CATALYSIS. EMBO J. V. 19 819 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:101;
B:102;
C:103;
D:104;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MAH A:201;
B:202;
C:204;
D:203;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
162.141 C6 H10 O5 CC(CC...
NAP A:1;
B:2;
C:3;
D:4;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q6B 2 Å EC: 1.1.1.34 DESIGN AND SYNTHESIS OF NOVEL, CONFORMATIONALLY RESTRICTED H REDUCTASE INHIBITORS HOMO SAPIENS OXIDOREDUCTASE CHOLESTEROL BIOSYNTHESIS HMG-COA NADPH ST
Ref.: DESIGN AND SYNTHESIS OF NOVEL, CONFORMATIONALLY RES HMG-COA REDUCTASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 17 4531 2007
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3CCZ Kd = 51.7 nM 5HI C28 H34 F N3 O6 CC(C)c1c(n....
2 3CCW Kd = 13.5 nM 4HI C27 H32 F N3 O5 CC(C)c1c(n....
3 3CDA Kd = 26.3 nM 8HI C33 H36 F N3 O7 S CC(C)n1c(c....
4 3CCT Kd = 27.4 nM 3HI C33 H35 F N2 O6 CC(C)c1c(c....
5 1HWK ic50 = 8 nM 117 C33 H35 F N2 O5 CC(C)c1c(c....
6 1DQ8 - MAH C6 H10 O5 CC(CC(=O)O....
7 1HWI ic50 = 28 nM 115 C24 H26 F N O4 CC(C)n1c2c....
8 2Q6B ic50 = 0.3 nM HR2 C30 H35 F N2 O5 CC(C)n1c(c....
9 1HWJ ic50 = 10 nM 116 C26 H36 F N O5 CC(C)c1c(c....
10 3BGL ic50 = 4.5 nM RID C30 H37 F N2 O7 S CC(C)c1c(c....
11 3CD7 Kd = 14.3 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
12 3CD5 Kd = 12.7 nM 7HI C31 H38 N2 O5 CCc1c(c2c(....
13 2Q1L ic50 = 12.4 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
14 2Q6C ic50 = 16.7 nM HR1 C33 H33 F N2 O5 CC(C)n1c(c....
15 2R4F ic50 = 1.5 nM RIE C29 H36 F N3 O5 CC(C)c1c(n....
16 3CD0 Kd = 26.9 nM 6HI C27 H31 F2 N3 O5 CC(C)n1c(c....
17 1HW9 ic50 = 11 nM SIM C25 H40 O6 CCC(C)(C)C....
18 1HW8 ic50 = 23 nM 114 C23 H36 O6 CC[C@H](C)....
19 3CDB Kd = 95.7 nM 9HI C33 H35 F2 N3 O7 S CC(C)c1c(c....
20 1HWL ic50 = 5 nM FBI C22 H30 F N3 O6 S CC(C)c1c(c....
21 1DQA - MAH C6 H10 O5 CC(CC(=O)O....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3CCZ Kd = 51.7 nM 5HI C28 H34 F N3 O6 CC(C)c1c(n....
2 3CCW Kd = 13.5 nM 4HI C27 H32 F N3 O5 CC(C)c1c(n....
3 3CDA Kd = 26.3 nM 8HI C33 H36 F N3 O7 S CC(C)n1c(c....
4 3CCT Kd = 27.4 nM 3HI C33 H35 F N2 O6 CC(C)c1c(c....
5 1HWK ic50 = 8 nM 117 C33 H35 F N2 O5 CC(C)c1c(c....
6 1DQ8 - MAH C6 H10 O5 CC(CC(=O)O....
7 1HWI ic50 = 28 nM 115 C24 H26 F N O4 CC(C)n1c2c....
8 2Q6B ic50 = 0.3 nM HR2 C30 H35 F N2 O5 CC(C)n1c(c....
9 1HWJ ic50 = 10 nM 116 C26 H36 F N O5 CC(C)c1c(c....
10 3BGL ic50 = 4.5 nM RID C30 H37 F N2 O7 S CC(C)c1c(c....
11 3CD7 Kd = 14.3 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
12 3CD5 Kd = 12.7 nM 7HI C31 H38 N2 O5 CCc1c(c2c(....
13 2Q1L ic50 = 12.4 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
14 2Q6C ic50 = 16.7 nM HR1 C33 H33 F N2 O5 CC(C)n1c(c....
15 2R4F ic50 = 1.5 nM RIE C29 H36 F N3 O5 CC(C)c1c(n....
16 3CD0 Kd = 26.9 nM 6HI C27 H31 F2 N3 O5 CC(C)n1c(c....
17 1HW9 ic50 = 11 nM SIM C25 H40 O6 CCC(C)(C)C....
18 1HW8 ic50 = 23 nM 114 C23 H36 O6 CC[C@H](C)....
19 3CDB Kd = 95.7 nM 9HI C33 H35 F2 N3 O7 S CC(C)c1c(c....
20 1HWL ic50 = 5 nM FBI C22 H30 F N3 O6 S CC(C)c1c(c....
21 1DQA - MAH C6 H10 O5 CC(CC(=O)O....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CCZ Kd = 51.7 nM 5HI C28 H34 F N3 O6 CC(C)c1c(n....
2 3CCW Kd = 13.5 nM 4HI C27 H32 F N3 O5 CC(C)c1c(n....
3 3CDA Kd = 26.3 nM 8HI C33 H36 F N3 O7 S CC(C)n1c(c....
4 3CCT Kd = 27.4 nM 3HI C33 H35 F N2 O6 CC(C)c1c(c....
5 1HWK ic50 = 8 nM 117 C33 H35 F N2 O5 CC(C)c1c(c....
6 1DQ8 - MAH C6 H10 O5 CC(CC(=O)O....
7 1HWI ic50 = 28 nM 115 C24 H26 F N O4 CC(C)n1c2c....
8 2Q6B ic50 = 0.3 nM HR2 C30 H35 F N2 O5 CC(C)n1c(c....
9 1HWJ ic50 = 10 nM 116 C26 H36 F N O5 CC(C)c1c(c....
10 3BGL ic50 = 4.5 nM RID C30 H37 F N2 O7 S CC(C)c1c(c....
11 3CD7 Kd = 14.3 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
12 3CD5 Kd = 12.7 nM 7HI C31 H38 N2 O5 CCc1c(c2c(....
13 2Q1L ic50 = 12.4 nM 882 C33 H34 F2 N2 O5 CC(C)n1c(c....
14 2Q6C ic50 = 16.7 nM HR1 C33 H33 F N2 O5 CC(C)n1c(c....
15 2R4F ic50 = 1.5 nM RIE C29 H36 F N3 O5 CC(C)c1c(n....
16 3CD0 Kd = 26.9 nM 6HI C27 H31 F2 N3 O5 CC(C)n1c(c....
17 1HW9 ic50 = 11 nM SIM C25 H40 O6 CCC(C)(C)C....
18 1HW8 ic50 = 23 nM 114 C23 H36 O6 CC[C@H](C)....
19 3CDB Kd = 95.7 nM 9HI C33 H35 F2 N3 O7 S CC(C)c1c(c....
20 1HWL ic50 = 5 nM FBI C22 H30 F N3 O6 S CC(C)c1c(c....
21 1DQA - MAH C6 H10 O5 CC(CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 233
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 30N 0.871795 0.913979
7 AMX 0.871795 0.988235
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FCX 0.857143 0.94382
12 FAM 0.857143 0.954545
13 ACO 0.857143 0.965909
14 HAX 0.85 0.954545
15 FYN 0.842975 1
16 3KK 0.842975 0.977012
17 YZS 0.836066 0.885417
18 MCD 0.836066 0.954545
19 KGP 0.836066 0.885417
20 CA6 0.836066 0.885417
21 OXK 0.836066 0.977012
22 COK 0.836066 0.977012
23 SOP 0.836066 0.977012
24 1VU 0.829268 0.965909
25 CO6 0.829268 0.977012
26 CMC 0.829268 0.977012
27 NMX 0.829268 0.903226
28 CAJ 0.822581 0.954545
29 SCD 0.822581 0.976744
30 2MC 0.822581 0.934066
31 2CP 0.81746 0.965909
32 MLC 0.816 0.977012
33 A1S 0.816 0.977012
34 1HE 0.816 0.955056
35 BCO 0.816 0.977012
36 IVC 0.816 0.988372
37 3HC 0.816 0.988372
38 KGJ 0.816 0.893617
39 COD 0.810345 0.988235
40 YE1 0.809524 0.965517
41 MCA 0.809524 0.965909
42 LCV 0.809524 0.876289
43 SO5 0.809524 0.876289
44 CAA 0.809524 0.988372
45 COO 0.809524 0.977012
46 SCA 0.80315 0.977012
47 YXR 0.80315 0.885417
48 MC4 0.80315 0.923913
49 YXS 0.80315 0.885417
50 IRC 0.796875 0.988372
51 COF 0.796875 0.955056
52 KFV 0.796875 0.894737
53 2KQ 0.796875 0.955056
54 3CP 0.796875 0.977012
55 1GZ 0.796875 0.965909
56 CA8 0.796875 0.885417
57 HGG 0.796875 0.977012
58 BYC 0.796875 0.977012
59 KGA 0.796875 0.884211
60 COW 0.796875 0.965909
61 4CA 0.790698 0.965909
62 BCA 0.790698 0.965909
63 FAQ 0.790698 0.977012
64 HXC 0.784615 0.955056
65 GRA 0.784615 0.977012
66 1CV 0.781955 0.977012
67 TGC 0.778626 0.965909
68 2NE 0.772727 0.955056
69 CO8 0.772727 0.955056
70 S0N 0.772727 0.954545
71 CIC 0.772727 0.977012
72 1CZ 0.772727 0.965909
73 UCC 0.766917 0.955056
74 DCC 0.766917 0.955056
75 ST9 0.766917 0.955056
76 5F9 0.766917 0.955056
77 MFK 0.766917 0.955056
78 4CO 0.766917 0.965909
79 0FQ 0.766917 0.977012
80 MYA 0.766917 0.955056
81 0ET 0.761194 0.955056
82 01A 0.761194 0.934066
83 CS8 0.755556 0.944444
84 WCA 0.755556 0.955056
85 NHW 0.75 0.955056
86 HDC 0.75 0.955056
87 4KX 0.75 0.944444
88 UOQ 0.75 0.955056
89 NHM 0.75 0.955056
90 MRS 0.744526 0.955056
91 MRR 0.744526 0.955056
92 HFQ 0.744526 0.955056
93 YNC 0.73913 0.965909
94 J5H 0.73913 0.977012
95 DAK 0.73913 0.944444
96 COA FLC 0.736 0.965116
97 8Z2 0.733813 0.944444
98 NHQ 0.723404 0.988372
99 F8G 0.715278 0.913979
100 1HA 0.713287 0.955056
101 01K 0.708333 0.977012
102 COT 0.703448 0.977012
103 CCQ 0.695652 0.934066
104 CA3 0.693878 0.977012
105 7L1 0.692308 0.965909
106 CA5 0.671053 0.934066
107 93P 0.666667 0.965909
108 UCA 0.666667 0.955056
109 CO7 0.664234 0.977012
110 N9V 0.647887 0.922222
111 93M 0.64557 0.965909
112 OXT 0.634146 0.913979
113 4BN 0.607143 0.913979
114 5TW 0.607143 0.913979
115 PAP 0.603604 0.811765
116 JBT 0.598837 0.894737
117 BSJ 0.592814 0.944444
118 HMG 0.581081 0.943182
119 COA PLM 0.573333 0.922222
120 PLM COA 0.573333 0.922222
121 A3P 0.54955 0.8
122 PPS 0.547009 0.752688
123 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
124 0WD 0.521739 0.788889
125 SFC 0.490683 0.955056
126 RFC 0.490683 0.955056
127 191 0.490196 0.865979
128 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
129 3AM 0.482143 0.788235
130 PTJ 0.48062 0.872093
131 4PS 0.477477 0.682353
132 A22 0.468254 0.813953
133 A2D 0.465517 0.802326
134 PUA 0.462585 0.820225
135 PAJ 0.460938 0.883721
136 HQG 0.460317 0.813953
137 SAP 0.459016 0.806818
138 ATR 0.459016 0.8
139 AGS 0.459016 0.806818
140 3OD 0.458015 0.825581
141 ADP 0.453782 0.823529
142 9BG 0.451389 0.788889
143 A2R 0.448819 0.813953
144 8LE 0.448 0.848837
145 BA3 0.445378 0.802326
146 NA7 0.442748 0.858824
147 OAD 0.442748 0.825581
148 HEJ 0.442623 0.823529
149 ATP 0.442623 0.823529
150 B4P 0.441667 0.802326
151 AP5 0.441667 0.802326
152 AQP 0.439024 0.823529
153 2A5 0.439024 0.847059
154 5FA 0.439024 0.823529
155 AR6 0.439024 0.802326
156 APR 0.439024 0.802326
157 AN2 0.438017 0.813953
158 AT4 0.438017 0.816092
159 48N 0.435714 0.808989
160 M33 0.434426 0.813953
161 8LQ 0.434109 0.837209
162 9X8 0.431818 0.806818
163 SRP 0.429688 0.837209
164 ANP 0.428571 0.804598
165 ADQ 0.427481 0.804598
166 YLB 0.426573 0.908046
167 YLP 0.425532 0.886364
168 5AL 0.425197 0.813953
169 7D3 0.425 0.793103
170 AD9 0.424 0.804598
171 APU 0.423611 0.786517
172 7D4 0.422764 0.793103
173 CA0 0.422764 0.804598
174 25L 0.422222 0.813953
175 ATF 0.421875 0.795455
176 F2R 0.421769 0.865169
177 NJP 0.421769 0.806818
178 A2P 0.421488 0.788235
179 A A A 0.421053 0.813953
180 8QN 0.419847 0.813953
181 PNS 0.419643 0.682353
182 ACP 0.419355 0.825581
183 KG4 0.419355 0.804598
184 8LH 0.418605 0.837209
185 J4G 0.41791 0.848837
186 NDP 0.417808 0.788889
187 ACQ 0.417323 0.825581
188 A1R 0.416667 0.882353
189 ATP A A A 0.416058 0.770115
190 ATP A 0.416058 0.770115
191 AMP 0.415254 0.8
192 A 0.415254 0.8
193 FYA 0.414815 0.813953
194 TXA 0.414815 0.816092
195 1ZZ 0.414815 0.842697
196 NB8 0.414815 0.808989
197 00A 0.413534 0.758242
198 DLL 0.413534 0.793103
199 AHX 0.413534 0.829545
200 PAX 0.412903 0.793478
201 DQV 0.411348 0.813953
202 OMR 0.409722 0.853933
203 9ZD 0.409091 0.818182
204 OOB 0.409091 0.793103
205 25A 0.409091 0.802326
206 9ZA 0.409091 0.818182
207 NPW 0.408163 0.822222
208 6YZ 0.407692 0.825581
209 A A 0.407407 0.781609
210 WAQ 0.407407 0.860465
211 TAT 0.40625 0.816092
212 T99 0.40625 0.816092
213 A3R 0.406015 0.882353
214 AMO 0.406015 0.837209
215 4AD 0.406015 0.827586
216 B5Y 0.405797 0.786517
217 YAP 0.405797 0.806818
218 FA5 0.405797 0.816092
219 TXP 0.405405 0.829545
220 ABM 0.404959 0.781609
221 45A 0.404959 0.781609
222 PRX 0.404762 0.825581
223 BIS 0.404412 0.818182
224 ME8 0.404412 0.842697
225 AFH 0.404255 0.78022
226 J7V 0.403846 0.778947
227 LQJ 0.402878 0.781609
228 NAI 0.402778 0.777778
229 ODP 0.402685 0.78022
230 DAL AMP 0.401515 0.793103
231 SRA 0.4 0.784091
232 ADX 0.4 0.752688
233 AU1 0.4 0.804598
Ligand no: 2; Ligand: MAH; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MAH 1 1
2 1CO 0.535714 0.666667
3 CIT 0.44 0.807692
4 PMV 0.428571 0.605263
Ligand no: 3; Ligand: NAP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 ADP MG 0.454545 0.944444
46 PAP 0.451613 0.931507
47 A2D 0.445378 0.945205
48 AN2 0.442623 0.932432
49 7L1 0.441558 0.777778
50 SAP 0.44 0.896104
51 ADP PO3 0.44 0.944444
52 AGS 0.44 0.896104
53 ATP MG 0.44 0.944444
54 M33 0.439024 0.906667
55 AR6 AR6 0.438849 0.945205
56 BA3 0.438017 0.945205
57 ADP BMA 0.43609 0.92
58 OAD 0.43609 0.92
59 DQV 0.435714 0.958904
60 HEJ 0.435484 0.945205
61 ATP 0.435484 0.945205
62 OOB 0.435115 0.958904
63 AP5 0.434426 0.945205
64 B4P 0.434426 0.945205
65 GAP 0.433071 0.92
66 0WD 0.432432 0.922078
67 2A5 0.432 0.87013
68 5FA 0.432 0.945205
69 AQP 0.432 0.945205
70 AT4 0.430894 0.907895
71 HQG 0.430769 0.932432
72 00A 0.428571 0.909091
73 DAL AMP 0.427481 0.932432
74 8LQ 0.427481 0.907895
75 CA0 0.427419 0.92
76 ADP ALF 0.426357 0.871795
77 ALF ADP 0.426357 0.871795
78 9X8 0.425373 0.871795
79 KG4 0.424 0.92
80 ACP 0.424 0.92
81 NAJ PZO 0.423841 0.897436
82 9SN 0.423358 0.897436
83 VO4 ADP 0.423077 0.932432
84 ADP VO4 0.423077 0.932432
85 WAQ 0.422222 0.884615
86 V3L 0.421875 0.945205
87 ACQ 0.421875 0.92
88 ADQ 0.421053 0.92
89 AR6 0.420635 0.918919
90 APR 0.420635 0.918919
91 ATP A 0.42029 0.958333
92 ATP A A A 0.42029 0.958333
93 CO7 0.419753 0.786517
94 3OD 0.419118 0.92
95 1ZZ 0.419118 0.841463
96 DLL 0.41791 0.958904
97 AD9 0.417323 0.92
98 NAX 0.416667 0.875
99 OVE 0.416667 0.857143
100 MYR AMP 0.416058 0.841463
101 AV2 0.415385 0.868421
102 A3P 0.414634 0.944444
103 NNR 0.414414 0.72973
104 OMR 0.413793 0.831325
105 6YZ 0.412214 0.92
106 ANP 0.410853 0.92
107 A1R 0.410448 0.860759
108 45A 0.409836 0.893333
109 ABM 0.409836 0.893333
110 A 0.408333 0.944444
111 AMP 0.408333 0.944444
112 SON 0.408 0.933333
113 5AL 0.407692 0.932432
114 PPS 0.407692 0.829268
115 8LE 0.407692 0.896104
116 NAI 0.406897 0.909091
117 7D3 0.406504 0.857143
118 ADX 0.404762 0.829268
119 ATF 0.40458 0.907895
120 3UK 0.404412 0.945946
121 AMP DBH 0.404255 0.894737
122 TYR AMP 0.404255 0.921053
123 139 0.402685 0.875
124 50T 0.401575 0.906667
125 SRP 0.401515 0.907895
126 8LH 0.401515 0.907895
127 A A 0.40146 0.972222
128 B5V 0.40146 0.933333
129 FA5 0.4 0.933333
130 B5M 0.4 0.921053
131 3AM 0.4 0.90411
132 A3R 0.4 0.860759
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q6B; Ligand: HR2; 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: 2q6b.bio1) has 63 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Q6B; Ligand: HR2; 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: 2q6b.bio1) has 64 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Q6B; Ligand: HR2; 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: 2q6b.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2Q6B; Ligand: HR2; 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: 2q6b.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
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