-->
Receptor
PDB id Resolution Class Description Source Keywords
1SZC 1.75 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TR NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES SACCHAROMYCES CEREVISIAE SIR2 SIRTUIN HISTONE DEACETYLASE GENE REGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-TRANSFER BY NAD(+)-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES. PROC.NATL.ACAD.SCI.USA V. 101 8563 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:702;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CNA A:1001;
Valid;
none;
submit data
662.46 C22 H30 N7 O13 P2 c1cc(...
GOL A:1989;
A:1990;
A:1991;
A:1992;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE B:12;
Valid;
none;
submit data
939.138 n/a O=C(N...
ZN A:701;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SZD 1.5 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TR NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES SACCHAROMYCES CEREVISIAE HST2 SIR2 SIRTUIN HISTONE DEACETYLASE PROTEIN DEACETYLASREGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-TRANSFER BY NAD(+)-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES. PROC.NATL.ACAD.SCI.USA V. 101 8563 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 4RMG ic50 = 0.14 uM 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
5 4R8M - PRO LYS LYS THR GLY 3LX n/a n/a
6 4RMH - 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
7 5DY4 ic50 = 0.21 uM 5GN C22 H19 Br N4 O S2 Cc1cc(nc(n....
8 4Y6L - THR ALA ARG MYK SER THR GLY n/a n/a
9 5MAR ic50 = 41.2 uM 7KE C11 H11 Cl N2 O2 c1cc(ccc1c....
10 3ZGV - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
11 4Y6O - LEU PRO LYS MYK THR GLY GLY n/a n/a
12 4RMJ - NCA C6 H6 N2 O c1cc(cnc1)....
13 5DY5 ic50 = 0.118 uM 5GR C28 H27 N7 O2 S2 Cc1cc(nc(n....
14 5D7P ic50 = 20 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
15 4RMI - 3TK C18 H18 N4 O S2 Cc1cc(nc(n....
16 5Y0Z ic50 = 0.46 uM 8K9 C30 H44 N2 O3 CCC(C)(C)c....
17 5YQN ic50 = 93.7 uM L55 C26 H26 N6 O3 S Cc1cc(nc(n....
18 5MAT ic50 = 0.58 uM 7KJ C28 H28 N4 O3 S Cc1c(c(on1....
19 4Y6Q - OMR C29 H49 N5 O15 P2 CCCCCCCCCC....
20 5D7Q ic50 = 2.8 uM 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
21 5YQM - A2X C20 H19 N3 O S2 Cc1cc(nc(n....
22 5G4C Kd = 13.7 uM ARG ALA ALA 6G4 THR n/a n/a
23 5YQL ic50 = 25.9 uM A2I C21 H21 N3 O2 S Cc1cc(nc(n....
24 5YQO ic50 = 0.815 uM L5C C26 H26 N6 O3 S Cc1cc(nc(n....
25 5D7O - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
26 4FZ3 - ACE ARG HIS LYS ALY MCM n/a n/a
27 4JT9 ic50 = 0.0072 uM 1NS C15 H21 N5 O3 S2 CS(=O)(=O)....
28 5BWO - PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP n/a n/a
29 4JT8 ic50 = 0.033 uM 1NR C19 H27 N5 O2 S CC(C)(C)C(....
30 4BV3 Kd = 16.5 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
31 4BVH - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
32 4C7B - ARG HIS LYS FDL n/a n/a
33 4C78 - BVB C14 H11 Br O2 c1cc(ccc1/....
34 5BWN - GLN THR ALA ARG MYK SER THR GLY GLY TRP n/a n/a
35 4BN4 - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
36 4JSR ic50 = 0.004 uM 1NQ C22 H26 N6 O3 S2 CCNC(=O)c1....
37 4BVE - THR ARG SER GLY FZN VAL MET ARG ARG LEU n/a n/a
38 4BVB - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
39 4FVT - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
40 4I5I - 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CNA; Similar ligands found: 247
No: Ligand ECFP6 Tc MDL keys Tc
1 CNA 1 1
2 NXX 0.644068 0.972973
3 DND 0.644068 0.972973
4 NAD 0.642276 0.972603
5 A2D 0.62 0.958904
6 BA3 0.607843 0.958904
7 A3D 0.606299 0.959459
8 B4P 0.601942 0.958904
9 AP5 0.601942 0.958904
10 DQV 0.591667 0.972603
11 M33 0.590476 0.92
12 ATP 0.584906 0.932432
13 HEJ 0.584906 0.932432
14 AQP 0.579439 0.932432
15 5FA 0.579439 0.932432
16 APR 0.579439 0.932432
17 AR6 0.579439 0.932432
18 3OD 0.577586 0.933333
19 AGS 0.574074 0.884615
20 SAP 0.574074 0.884615
21 OAD 0.573913 0.933333
22 ADP 0.571429 0.932432
23 ACP 0.570093 0.907895
24 AT4 0.566038 0.896104
25 AN2 0.566038 0.92
26 OOB 0.561404 0.945946
27 CA0 0.560748 0.933333
28 AD9 0.559633 0.907895
29 A1R 0.556522 0.897436
30 A3R 0.556522 0.897436
31 ACQ 0.54955 0.907895
32 9X8 0.547009 0.884615
33 5AL 0.544643 0.92
34 ABM 0.542857 0.881579
35 GTA 0.540323 0.9
36 NAX 0.539683 0.911392
37 A22 0.53913 0.945946
38 DLL 0.538462 0.945946
39 00A 0.538462 0.897436
40 1ZZ 0.537815 0.831325
41 PRX 0.536364 0.858974
42 ANP 0.535714 0.907895
43 6YZ 0.535088 0.907895
44 9JJ 0.532895 0.9
45 ADX 0.53211 0.841463
46 AMP NAD 0.530303 0.945946
47 WAQ 0.529412 0.873418
48 AMP 0.528846 0.905405
49 A 0.528846 0.905405
50 6V0 0.527559 0.910256
51 NAI 0.527559 0.922078
52 TXD 0.527559 0.922078
53 50T 0.527273 0.894737
54 ATF 0.526316 0.896104
55 B5M 0.52459 0.909091
56 TXE 0.523438 0.922078
57 OMR 0.523438 0.843373
58 NAP 0.521739 0.959459
59 SRP 0.521739 0.921053
60 8QN 0.521368 0.92
61 3UK 0.521008 0.933333
62 NHD 0.518797 0.945946
63 4AD 0.516949 0.96
64 PAJ 0.516949 0.875
65 ADQ 0.516949 0.933333
66 B5V 0.516667 0.921053
67 9SN 0.516393 0.886076
68 NAQ 0.514493 0.910256
69 AHX 0.512605 0.910256
70 F2R 0.511278 0.855422
71 NFD 0.511111 0.922078
72 ZID 0.510791 0.959459
73 SON 0.509091 0.896104
74 APC 0.508929 0.896104
75 5SV 0.508475 0.817073
76 25L 0.508197 0.945946
77 48N 0.507812 0.886076
78 NAE 0.507246 0.934211
79 AP2 0.504587 0.896104
80 A12 0.504587 0.896104
81 AMO 0.504202 0.946667
82 PR8 0.504132 0.864198
83 DZD 0.503704 0.898734
84 BIS 0.5 0.873418
85 B5Y 0.5 0.909091
86 PTJ 0.5 0.8625
87 FYA 0.5 0.92
88 FA5 0.5 0.946667
89 ME8 0.5 0.853659
90 TXA 0.5 0.921053
91 T5A 0.496241 0.878049
92 AP0 0.496183 0.886076
93 8ID 0.496183 0.923077
94 9ZA 0.495798 0.873418
95 9ZD 0.495798 0.873418
96 T99 0.495652 0.896104
97 GAP 0.495652 0.907895
98 TAT 0.495652 0.896104
99 SRA 0.495327 0.858974
100 NA0 0.492958 0.946667
101 A4P 0.492424 0.857143
102 UP5 0.492308 0.934211
103 4UV 0.492063 0.909091
104 LAD 0.491803 0.875
105 AU1 0.491071 0.907895
106 LAQ 0.488372 0.831325
107 G3A 0.488189 0.910256
108 YAP 0.488 0.934211
109 NB8 0.487805 0.910256
110 DAL AMP 0.487395 0.92
111 N01 0.485507 0.945946
112 COD 0.485294 0.825581
113 G5P 0.484375 0.910256
114 4UU 0.484375 0.909091
115 AFH 0.484375 0.875
116 XAH 0.484127 0.853659
117 25A 0.483333 0.932432
118 NDC 0.482993 0.910256
119 EAD 0.482517 0.911392
120 4UW 0.480916 0.875
121 NDE 0.479452 0.946667
122 ADV 0.478261 0.896104
123 ADP PO3 0.478261 0.931507
124 RBY 0.478261 0.896104
125 80F 0.478261 0.878049
126 NJP 0.477941 0.96
127 IOT 0.477612 0.823529
128 ADJ 0.474074 0.865854
129 139 0.474074 0.911392
130 4TC 0.473684 0.910256
131 MYR AMP 0.472 0.831325
132 P1H 0.469388 0.888889
133 NGD 0.466667 0.923077
134 TYM 0.466165 0.946667
135 MAP 0.46281 0.884615
136 ALF ADP 0.462185 0.860759
137 ADP ALF 0.462185 0.860759
138 YLP 0.462121 0.833333
139 BT5 0.460432 0.823529
140 NAJ 0.459854 0.945946
141 VO4 ADP 0.458333 0.92
142 ADP VO4 0.458333 0.92
143 M24 0.457746 0.864198
144 TAP 0.455172 0.897436
145 YLB 0.451852 0.833333
146 YLC 0.451852 0.853659
147 GA7 0.450382 0.896104
148 7MD 0.450382 0.876543
149 HFD 0.449153 0.884615
150 ADP BMA 0.448 0.933333
151 AMP DBH 0.446154 0.907895
152 TYR AMP 0.446154 0.934211
153 LMS 0.445455 0.797619
154 FB0 0.443709 0.797753
155 NAJ PZO 0.443662 0.886076
156 AHZ 0.443609 0.831325
157 0WD 0.442857 0.910256
158 54H 0.442623 0.781609
159 VMS 0.442623 0.781609
160 A2R 0.442623 0.92
161 7MC 0.441176 0.855422
162 PAP 0.440678 0.918919
163 7D4 0.439655 0.846154
164 ITT 0.439655 0.88
165 ARG AMP 0.439394 0.843373
166 8X1 0.439024 0.766667
167 TSB 0.439024 0.811765
168 AYB 0.438849 0.823529
169 A5A 0.438017 0.8
170 AOC 0.4375 0.789474
171 YLY 0.4375 0.823529
172 G5A 0.436975 0.793103
173 LEU LMS 0.436508 0.786517
174 TAD 0.43609 0.875
175 AVV 0.435484 0.8625
176 5AS 0.434783 0.752809
177 3AT 0.433333 0.906667
178 A A 0.433071 0.932432
179 BTX 0.432624 0.833333
180 2A5 0.432203 0.858974
181 DSZ 0.432 0.813953
182 LSS 0.432 0.775281
183 NPW 0.431655 0.9
184 YLA 0.431655 0.833333
185 52H 0.430894 0.772727
186 ATP A A A 0.430769 0.945205
187 UPA 0.430657 0.922078
188 6AD 0.429752 0.851852
189 9K8 0.429688 0.728261
190 LPA AMP 0.42963 0.831325
191 ATR 0.428571 0.905405
192 NVA LMS 0.428571 0.786517
193 N0B 0.428571 0.855422
194 53H 0.427419 0.772727
195 6FA 0.425806 0.855422
196 ODP 0.425532 0.923077
197 NA7 0.425197 0.896104
198 SSA 0.422764 0.813953
199 MTA 0.422018 0.74359
200 P5A 0.421875 0.758242
201 NDO 0.421769 0.933333
202 NDP 0.421429 0.910256
203 NSS 0.420635 0.835294
204 FAS 0.420382 0.865854
205 FAD 0.420382 0.865854
206 8PZ 0.419847 0.835294
207 5N5 0.419048 0.786667
208 JB6 0.418605 0.873418
209 NZQ 0.41844 0.898734
210 TXP 0.41844 0.910256
211 7D3 0.417391 0.846154
212 EP4 0.416667 0.725
213 5CA 0.416 0.813953
214 5CD 0.415094 0.773333
215 3DH 0.414414 0.74359
216 A3P 0.413793 0.905405
217 RAB 0.413462 0.810811
218 ADN 0.413462 0.810811
219 XYA 0.413462 0.810811
220 AF3 ADP 3PG 0.413043 0.851852
221 DTA 0.412844 0.779221
222 4TA 0.412587 0.865854
223 NAJ PYZ 0.412162 0.843373
224 SFD 0.411392 0.747368
225 3AM 0.410714 0.866667
226 F2N 0.410714 0.827586
227 FDA 0.410256 0.825581
228 62F 0.409938 0.853659
229 FNK 0.409938 0.818182
230 DTP 0.409836 0.87013
231 AR6 AR6 0.407407 0.932432
232 P5F 0.407186 0.837209
233 PPS 0.406504 0.819277
234 ARU 0.40625 0.807229
235 YSA 0.406015 0.813953
236 AV2 0.403226 0.857143
237 649 0.402878 0.777778
238 XNP 0.402778 0.8875
239 A4D 0.401869 0.786667
240 DCA 0.401361 0.816092
241 ETB 0.401361 0.825581
242 FA9 0.4 0.878049
243 SMM 0.4 0.72093
244 GSU 0.4 0.793103
245 KAA 0.4 0.766667
246 5X8 0.4 0.779221
247 M2T 0.4 0.728395
Ligand no: 2; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 1 1
2 LYS GLY GLY ALA ALY ARG HIS ARG 0.821138 0.965517
3 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.756303 0.982143
4 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.576389 0.857143
5 ARG HIS LYS ALY LEU MET PHE LYS 0.54 0.84127
6 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.539007 0.87931
7 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.531034 0.9
8 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.506579 0.836066
9 ARG HIS LYS FDL 0.490066 0.716216
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.4875 0.8
11 HIS HIS ALA SER PRO ARG LYS 0.487179 0.75
12 THR SER ARG HIS LYS ALY LEU MET ALA 0.483871 0.782609
13 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.483146 0.746667
14 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.477987 0.83871
15 ALA ILE LEU HIS ARG LEU LEU GLN 0.472603 0.864407
16 ACE ARG HIS LYS ALY MCM 0.470968 0.706667
17 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.470968 0.84127
18 LYS ARG ARG ARG HIS PRO SER 0.466667 0.772727
19 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.46281 0.732143
20 ALA HIS ALA LYS ALA 0.457364 0.821429
21 ACE ARG HIS ALY ALY MCM 0.456376 0.716216
22 ALA LYS PHE ARG HIS ASP 0.455172 0.836066
23 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.455128 0.866667
24 LYS ARG ARG ARG HIS PRO SER GLY 0.454545 0.764706
25 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.454545 0.8125
26 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.452229 0.8
27 GLY ALA ARG ALA HIS SER SER 0.45 0.84127
28 GLU ALY ARG 0.448819 0.758621
29 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.441176 0.689655
30 ASP ALA GLU PHE ARG HIS ASP SER 0.440789 0.819672
31 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.44 0.638889
32 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.436047 0.756757
33 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.430464 0.79661
34 ACE ALA ARG THR LYS GLN 0.424242 0.677419
35 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.423077 0.854839
36 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.420168 0.714286
37 ARG ARG ARG ARG ARG ARG ARG ARG 0.420168 0.714286
38 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.417323 0.66129
39 ALA ARG LYS SEP THR GLY GLY LYS 0.417219 0.642857
40 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.417112 0.774648
41 PRO PRO LYS LYS LYS ARG LYS VAL 0.412698 0.736842
42 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.411765 0.796875
43 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.409938 0.61039
44 LYS ALA ALA ARG M3L SER ALA 0.408451 0.633803
45 ALA ARG THR LYS GLN THR ALA ARG LYS 0.402778 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SZD; Ligand: APR; Similar sites found with APoc: 183
This union binding pocket(no: 1) in the query (biounit: 1szd.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 1L1E SAH 1.39373
3 2HK9 ATR 1.45455
4 3RKR NAP 1.52672
5 4WBD CIT 1.6835
6 6DEN FAD 1.6835
7 6DEN G8A 1.6835
8 6DEN TP9 1.6835
9 4M1U A2G MBG 1.6835
10 4Y9D NAI 1.6835
11 6ECU SAH 1.6835
12 6FDF SAH 1.6835
13 2AOT SAH 1.71233
14 3GCZ SAM 1.77305
15 3DUV KDO 1.9084
16 5XH2 NPO 1.9084
17 4A59 AMP 2.0202
18 3OA2 NAD 2.0202
19 5OJL TXP 2.0202
20 3G6N MET ALA SER 2.09424
21 3DXY SAM 2.29358
22 1E6W NAD 2.30769
23 2VT3 ATP 2.32558
24 4NBW NAD 2.33463
25 4OBW SAM 2.33463
26 5JE8 NAD 2.3569
27 3GWZ SAH 2.3569
28 1HDG NAD 2.3569
29 1UAY ADN 2.47934
30 2HNK SAH 2.51046
31 3KCC CMP 2.69231
32 1V59 NAD 2.6936
33 1PJS NAD 2.6936
34 2FK8 SAM 2.6936
35 1X87 NAD 2.6936
36 4KOA NDP 2.6936
37 5CK5 GDP 2.6936
38 3LGG CFE 2.6936
39 1CER NAD 2.6936
40 3BRE C2E 2.6936
41 6CB2 OLC 2.73038
42 3ABI NAD 2.73973
43 5LQ8 GB 2.83688
44 2FMD MAN MAN 2.91667
45 3B20 NAD 2.94985
46 1T9D PYD 3.0303
47 1T9D 1MM 3.0303
48 1T9D P25 3.0303
49 4YAC NAI 3.0303
50 2C31 ADP 3.0303
51 2C31 TZD 3.0303
52 5WKC FAD 3.0303
53 5WXU FLC 3.0303
54 3EF0 ALF 3.0303
55 1T9D FAD 3.0303
56 3PT9 SAH 3.0303
57 2Q28 ADP 3.0303
58 2ZUX RAM 3.0303
59 2V3V MGD 3.0303
60 5W7R SAH 3.0303
61 2XYQ SAH 3.27869
62 4IF4 BEF 3.36538
63 5A3B APR 3.367
64 5VLQ ANP 3.367
65 5XNC MTA 3.367
66 4KIB SAH 3.367
67 2JHP SAH 3.367
68 4G05 JZ3 3.367
69 4M73 SAH 3.367
70 4M73 M72 3.367
71 3B12 FAH 3.367
72 4FE2 AIR 3.52941
73 3DKP ADP 3.67347
74 1V6A TRE 3.7037
75 2IZ1 ATR 3.7037
76 2EG5 SAH 3.7037
77 4N49 SAM 3.7037
78 3MCT SAH 3.7037
79 2NXE SAM 3.93701
80 4Z1D PEP 3.98551
81 1TW4 CHD 4
82 1BW9 NAD 4.0404
83 4XZ3 ACP 4.0404
84 1OBB NAD 4.0404
85 1GZ6 NAI 4.0404
86 3T7S SAM 4.10448
87 4L2I FAD 4.18251
88 1JG3 ADN 4.25532
89 2BHZ MAL 4.3771
90 4BE9 7P9 4.3771
91 2H8Z 8CM 4.3771
92 2IXB NAD 4.3771
93 2FKA BEF 4.65116
94 2JK0 ASP 4.7138
95 1P77 ATR 4.77941
96 3EGI ADP 4.85437
97 3LST SAH 4.88506
98 5KXE 6Y2 4.93827
99 3B9Q MLI 5.05051
100 4D5G TPP 5.05051
101 4D5G FAD 5.05051
102 2OG2 MLI 5.05051
103 5WP5 SAH 5.05051
104 1GPM CIT 5.05051
105 1N2X SAM 5.05051
106 3I9U DTU 5.32319
107 4KGD FAD 5.38721
108 4KGD TDP 5.38721
109 1YBH FAD 5.38721
110 5LD5 NAD 5.38721
111 4POO SAM 5.5
112 5LW0 AR6 5.72391
113 3VC1 SAH 5.72391
114 2P41 SAH 5.72391
115 1DJL NAP 5.7971
116 3LCC SAH 5.95745
117 5OCQ CIT 5.96491
118 2VDV SAM 6.09756
119 3I53 SAH 6.39731
120 1XDS SAM 6.39731
121 1G55 SAH 6.39731
122 1D4O NAP 6.52174
123 1L7N ALF 6.63507
124 3VSE SAH 6.73401
125 5DNK SAH 6.73401
126 1QZZ SAM 6.73401
127 5YJS SAL 6.73401
128 1KYQ NAD 6.93431
129 1IAU ACE ILE GLU PRO ASJ 7.04846
130 3P4X ADP 7.07071
131 1LSS NAD 7.14286
132 3O03 NAP 7.2165
133 5ZI9 FLC 7.30769
134 3EYA FAD 7.40741
135 1W8D NAP 7.40741
136 2EWM NAD 7.63052
137 3L9W AMP 7.74411
138 1W6U NAP 7.74411
139 1ZEM NAD 8.01527
140 6F5Z SAH 8.19672
141 1NU4 MLA 8.24742
142 2Z3U CRR 8.41751
143 3WCS MAN NAG 8.66142
144 3WCS MAN NAG GAL 8.66142
145 3GEG NAD 8.90688
146 6CZ7 MGD 8.97436
147 4UP5 94W 9.09091
148 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 9.375
149 4YDD MD1 9.42761
150 4YDD MGD 9.42761
151 4OKE AMP 9.52381
152 3QPB R1P 9.92908
153 6D6Y SAH 10.101
154 1W2D ADP 10.1887
155 1H5R G1P 10.2389
156 1EJ0 SAM 10.5556
157 1O97 FAD 10.6061
158 1O97 AMP 10.6061
159 5WHU SIA 10.7383
160 5BW4 SAM 10.8614
161 1LOB MMA 11.5385
162 4KRI SAH 12.1212
163 3QV1 NAD 12.1951
164 1V5F FAD 13.1313
165 1V5F TPP 13.1313
166 1T32 OHH 13.3929
167 1EFV FAD 13.8047
168 1EFV AMP 13.8047
169 1RJW ETF 14.1414
170 1LES GLC FRU 14.3646
171 1SQL GUN 14.3836
172 1OFS SUC 14.4385
173 2PK4 ACA 15
174 1NBU PH2 15.126
175 5N53 8NB 16.4103
176 2BQP GLC 16.6667
177 1PNO NAP 17.7778
178 2OOR TXP 18.3908
179 5Z84 CHD 28.7671
180 5ZCO CHD 28.7671
181 5W97 CHD 28.7671
182 3U31 NAD 29.6552
183 1M2K APR 38.1526
Pocket No.: 2; Query (leader) PDB : 1SZD; Ligand: APR; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 3OBT SLB 3.367
3 2XYA 7L4 3.84615
4 1FQK ALF 12.9252
Pocket No.: 3; Query (leader) PDB : 1SZD; Ligand: APR; 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: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback