Receptor
PDB id Resolution Class Description Source Keywords
4BUZ 1.9 Å EC: 3.5.1.- SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND THERMOTOGA MARITIMA HYDROLASE NAD-DEPENDENT DEACETYLASE SIRTUIN INHIBITOR COMEX-527 RUNNING REACTION
Ref.: EX-527 INHIBITS SIRTUINS BY EXPLOITING THEIR UNIQUE NAD+-DEPENDENT DEACETYLATION MECHANISM PROC.NATL.ACAD.SCI.USA V. 110 E2772 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:1248;
Valid;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
ZN A:1250;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
OAD A:1249;
Valid;
none;
submit data
601.352 C17 H25 N5 O15 P2 CC(=O...
ARG HIS LYS ALY LEU MET PHE LYS P:379;
Valid;
none;
submit data
988.294 n/a S(CCC...
OCZ A:1247;
Valid;
none;
submit data
248.708 C13 H13 Cl N2 O c1cc2...
EDO A:1251;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BUZ 1.9 Å EC: 3.5.1.- SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND THERMOTOGA MARITIMA HYDROLASE NAD-DEPENDENT DEACETYLASE SIRTUIN INHIBITOR COMEX-527 RUNNING REACTION
Ref.: EX-527 INHIBITS SIRTUINS BY EXPLOITING THEIR UNIQUE NAD+-DEPENDENT DEACETYLATION MECHANISM PROC.NATL.ACAD.SCI.USA V. 110 E2772 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
4 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
5 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
6 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
13 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
14 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Ligand no: 2; Ligand: OAD; Similar ligands found: 352
No: Ligand ECFP6 Tc MDL keys Tc
1 OAD 1 1
2 3OD 0.782609 1
3 A2D 0.765432 0.945205
4 OMR 0.76 0.9
5 AR6 0.744186 0.972222
6 APR 0.744186 0.972222
7 BA3 0.72619 0.945205
8 AP5 0.717647 0.945205
9 B4P 0.717647 0.945205
10 AGS 0.715909 0.896104
11 SAP 0.715909 0.896104
12 AN2 0.709302 0.932432
13 M33 0.701149 0.958904
14 ADP 0.697674 0.945205
15 ATP 0.693182 0.945205
16 5FA 0.685393 0.945205
17 AQP 0.685393 0.945205
18 CA0 0.681818 0.972603
19 A22 0.680851 0.932432
20 AD9 0.677778 0.92
21 ACP 0.674157 0.92
22 5AL 0.655914 0.986111
23 PRX 0.648352 0.894737
24 AMP 0.647059 0.917808
25 A 0.647059 0.917808
26 ANP 0.645161 0.92
27 ACQ 0.645161 0.92
28 ADX 0.644444 0.851852
29 ABM 0.643678 0.918919
30 SRA 0.639535 0.87013
31 50T 0.637363 0.906667
32 ADQ 0.632653 0.945946
33 A1R 0.632653 0.884615
34 ATF 0.631579 0.907895
35 DLL 0.626263 0.958904
36 SRP 0.625 0.933333
37 8QN 0.622449 0.986111
38 OOB 0.622449 0.958904
39 25L 0.617647 0.932432
40 4AD 0.616162 0.946667
41 PAJ 0.616162 0.935065
42 AMP MG 0.613636 0.868421
43 A12 0.611111 0.907895
44 AP2 0.611111 0.907895
45 00A 0.61 0.909091
46 1ZZ 0.607843 0.8875
47 RBY 0.606383 0.933333
48 ADV 0.606383 0.933333
49 25A 0.606061 0.918919
50 AMO 0.6 0.959459
51 PR8 0.598039 0.875
52 WAQ 0.598039 0.909091
53 SON 0.597826 0.933333
54 48N 0.59633 0.947368
55 APC 0.595745 0.907895
56 AHX 0.594059 0.897436
57 TAT 0.59375 0.907895
58 GAP 0.59375 0.92
59 BIS 0.592233 0.884615
60 ME8 0.592233 0.8875
61 TXA 0.592233 0.986301
62 PTJ 0.592233 0.922078
63 ADP MG 0.591398 0.881579
64 AU1 0.591398 0.92
65 DND 0.590909 0.959459
66 NXX 0.590909 0.959459
67 5SV 0.59 0.85
68 3UK 0.588235 0.945946
69 A2R 0.585859 0.958904
70 BEF ADP 0.585106 0.858974
71 ADP BEF 0.585106 0.858974
72 LAD 0.582524 0.886076
73 NB8 0.576923 0.922078
74 FYA 0.576923 0.881579
75 NAX 0.576577 0.875
76 6V0 0.576577 0.897436
77 TXD 0.576577 0.909091
78 NAI 0.576577 0.909091
79 FA5 0.575472 0.933333
80 CNA 0.573913 0.933333
81 ADP PO3 0.572917 0.917808
82 TXE 0.571429 0.909091
83 ATP MG 0.56701 0.881579
84 9SN 0.566038 0.897436
85 DAL AMP 0.564356 0.958904
86 MAP 0.564356 0.896104
87 COD 0.564103 0.835294
88 GTA 0.563636 0.8875
89 YAP 0.560748 0.921053
90 ANP MG 0.56 0.871795
91 G3A 0.559633 0.897436
92 LAQ 0.558559 0.864198
93 XAH 0.555556 0.841463
94 AFH 0.554545 0.886076
95 G5P 0.554545 0.897436
96 AP0 0.552632 0.897436
97 4UV 0.550459 0.921053
98 ALF ADP 0.55 0.848101
99 ADP ALF 0.55 0.848101
100 VO4 ADP 0.544554 0.906667
101 ADP VO4 0.544554 0.906667
102 MYR AMP 0.542056 0.864198
103 A3D 0.541667 0.945946
104 ATR 0.540816 0.917808
105 4UU 0.540541 0.921053
106 YLP 0.539823 0.865854
107 YLB 0.53913 0.865854
108 T5A 0.538462 0.865854
109 UP5 0.535088 0.921053
110 4UW 0.535088 0.910256
111 A4P 0.534483 0.823529
112 FB0 0.530769 0.806818
113 ADP BMA 0.528302 0.92
114 NA7 0.528302 0.907895
115 YLC 0.525862 0.8875
116 UPA 0.525862 0.909091
117 ADJ 0.525424 0.853659
118 139 0.525424 0.875
119 PAP 0.525253 0.931507
120 NAD 0.525 0.932432
121 RAB 0.52381 0.821918
122 ADN 0.52381 0.821918
123 XYA 0.52381 0.821918
124 5AS 0.520833 0.781609
125 BT5 0.520661 0.833333
126 JB6 0.518519 0.860759
127 AHZ 0.517544 0.864198
128 TYM 0.517241 0.933333
129 IOT 0.516949 0.833333
130 2A5 0.515152 0.87013
131 4TC 0.512821 0.897436
132 NAE 0.512 0.921053
133 AOC 0.510638 0.8
134 7D4 0.510204 0.857143
135 ITT 0.510204 0.891892
136 A A 0.509259 0.893333
137 AYB 0.508333 0.855422
138 EAD 0.507812 0.898734
139 5CD 0.505747 0.783784
140 EP4 0.505618 0.75641
141 G5A 0.504951 0.781609
142 A5A 0.504854 0.831325
143 TSB 0.504762 0.843373
144 ATP A A A 0.504505 0.905405
145 AR6 AR6 0.5 0.918919
146 7D3 0.5 0.857143
147 YLA 0.5 0.843373
148 LPA AMP 0.5 0.841463
149 TYR AMP 0.5 0.907895
150 NAQ 0.496063 0.897436
151 TAD 0.495652 0.886076
152 54H 0.495238 0.811765
153 52H 0.495238 0.802326
154 VMS 0.495238 0.811765
155 6AD 0.495146 0.886076
156 A3P 0.494845 0.917808
157 A2P 0.494845 0.90411
158 5N5 0.494253 0.797297
159 P1H 0.492424 0.876543
160 ODP 0.491803 0.886076
161 NJP 0.491803 0.921053
162 53H 0.490566 0.802326
163 A4D 0.488636 0.797297
164 BTX 0.487805 0.821429
165 7MC 0.487395 0.888889
166 7MD 0.486957 0.8875
167 AVV 0.485981 0.873418
168 SSA 0.485714 0.802326
169 2AM 0.483871 0.891892
170 3DH 0.483871 0.776316
171 M2T 0.483516 0.7375
172 DTA 0.483516 0.766234
173 AMP DBH 0.482456 0.894737
174 NSS 0.481481 0.802326
175 LSS 0.481481 0.784091
176 PPS 0.480769 0.829268
177 ZID 0.48062 0.92
178 YLY 0.480315 0.855422
179 NAD IBO 0.479675 0.896104
180 LA8 ALF 3PG 0.478992 0.8625
181 AF3 ADP 3PG 0.478992 0.8625
182 ALF ADP 3PG 0.478992 0.8625
183 3AM 0.478723 0.878378
184 ARG AMP 0.478632 0.831325
185 MTA 0.478261 0.776316
186 ARU 0.477064 0.839506
187 NVA LMS 0.477064 0.784091
188 5CA 0.476636 0.802326
189 0WD 0.475806 0.897436
190 NDP 0.47541 0.897436
191 NPW 0.47541 0.864198
192 6FA 0.474453 0.865854
193 7D5 0.473118 0.831169
194 LEU LMS 0.472727 0.784091
195 DZD 0.472 0.886076
196 NZQ 0.471545 0.886076
197 TXP 0.471545 0.897436
198 V3L 0.471154 0.945205
199 NDE 0.470149 0.907895
200 M24 0.46875 0.875
201 6RE 0.46875 0.719512
202 OVE 0.46875 0.857143
203 P5A 0.468468 0.747253
204 DSZ 0.46789 0.823529
205 FAS 0.467626 0.876543
206 FAD 0.467626 0.876543
207 SFD 0.467626 0.755319
208 FDA 0.467153 0.835294
209 FNK 0.464789 0.806818
210 62F 0.464789 0.864198
211 NAJ PZO 0.464567 0.85
212 NAJ PYZ 0.461538 0.851852
213 5X8 0.460784 0.789474
214 J7C 0.459184 0.728395
215 N0B 0.458015 0.843373
216 SMM 0.457944 0.729412
217 3AT 0.457143 0.918919
218 GSU 0.455357 0.802326
219 KAA 0.455357 0.755556
220 S4M 0.454545 0.670455
221 NDC 0.452555 0.873418
222 4TA 0.452381 0.831325
223 XNP 0.452381 0.851852
224 SA8 0.451923 0.753086
225 FAY 0.451389 0.8875
226 NA0 0.451128 0.933333
227 MAO 0.45 0.761905
228 DCA 0.449612 0.825581
229 ETB 0.449612 0.835294
230 NEC 0.44898 0.773333
231 AV2 0.448598 0.868421
232 RFL 0.448276 0.845238
233 YSA 0.448276 0.781609
234 AMP NAD 0.44697 0.933333
235 SFG 0.446602 0.776316
236 IMO 0.444444 0.878378
237 S7M 0.444444 0.73494
238 A3N 0.444444 0.766234
239 F2N 0.443709 0.816092
240 30N 0.443609 0.755319
241 SAM 0.443396 0.73494
242 DTP 0.443396 0.857143
243 ZAS 0.443299 0.746835
244 0T1 0.442748 0.825581
245 COA 0.442748 0.825581
246 7DT 0.442308 0.931507
247 7DD 0.441176 0.931507
248 GJV 0.44 0.710843
249 P5F 0.44 0.847059
250 EEM 0.439252 0.73494
251 A5D 0.438095 0.766234
252 ACO 0.437037 0.797753
253 NAP 0.43609 0.92
254 NAD CJ3 0.434483 0.813953
255 A3G 0.434343 0.802632
256 DSH 0.434343 0.707317
257 SAI 0.433962 0.759494
258 SAH 0.433962 0.769231
259 A A A 0.433628 0.881579
260 PO4 PO4 A A A A PO4 0.433628 0.878378
261 1DG 0.432836 0.897436
262 TAP 0.432836 0.860759
263 AMX 0.432836 0.835294
264 CAO 0.432836 0.797753
265 DG1 0.432836 0.897436
266 COS 0.432836 0.806818
267 DAT 0.432692 0.857143
268 GEK 0.432432 0.7625
269 5AD 0.431818 0.75
270 2MC 0.431655 0.771739
271 N01 0.430769 0.932432
272 NAD BBN 0.430556 0.843373
273 G A A A 0.429688 0.85
274 SCO 0.42963 0.847059
275 CMX 0.42963 0.847059
276 7C5 0.428571 0.820513
277 SOP 0.427536 0.806818
278 RGT 0.42735 0.933333
279 FCX 0.426471 0.818182
280 FAM 0.426471 0.806818
281 U A G G 0.426357 0.860759
282 AAT 0.425926 0.690476
283 HAX 0.423358 0.806818
284 MHZ 0.423077 0.701149
285 Z5A 0.422222 0.802326
286 FA9 0.422078 0.865854
287 2SA 0.422018 0.933333
288 4YB 0.421488 0.784091
289 CAJ 0.421429 0.827586
290 3KK 0.42029 0.806818
291 FYN 0.42029 0.825581
292 649 0.419355 0.747253
293 WSA 0.419355 0.790698
294 A3T 0.419048 0.849315
295 1CZ 0.417808 0.818182
296 CA6 0.417266 0.731959
297 OXK 0.417266 0.827586
298 MCD 0.417266 0.827586
299 COK 0.417266 0.806818
300 6IA 0.416667 0.817073
301 DDS 0.416667 0.831169
302 0UM 0.415929 0.743902
303 MCA 0.415493 0.818182
304 CAA 0.415493 0.816092
305 G1R 0.414414 0.909091
306 CMC 0.414286 0.827586
307 NMX 0.414286 0.763441
308 1VU 0.414286 0.797753
309 CO6 0.414286 0.806818
310 PUA 0.413534 0.8625
311 A7D 0.413462 0.75641
312 A3S 0.413462 0.813333
313 MC4 0.412587 0.763441
314 C2R 0.412371 0.905405
315 AMZ 0.412371 0.891892
316 62X 0.412281 0.709302
317 SCD 0.411348 0.847059
318 GGZ 0.410714 0.804878
319 BYC 0.409722 0.806818
320 CA8 0.409722 0.731959
321 K15 0.408696 0.72619
322 IVC 0.408451 0.816092
323 3HC 0.408451 0.816092
324 MLC 0.408451 0.827586
325 A1S 0.408451 0.806818
326 BCO 0.408451 0.806818
327 1HE 0.408451 0.788889
328 71V 0.407767 0.860759
329 NHD 0.407692 0.906667
330 NMN AMP PO4 0.407692 0.871795
331 6C6 0.407407 0.835443
332 FAQ 0.406897 0.806818
333 12D 0.406504 0.767442
334 2VA 0.40566 0.826667
335 CO7 0.405594 0.806818
336 YE1 0.405594 0.816092
337 COO 0.405594 0.806818
338 SCA 0.402778 0.827586
339 2CP 0.402778 0.818182
340 SXZ 0.401709 0.756098
341 PLP AAD 0.401515 0.744444
342 J7V 0.40146 0.857143
343 3CP 0.4 0.827586
344 HGG 0.4 0.827586
345 COW 0.4 0.797753
346 COF 0.4 0.788889
347 128 0.4 0.758621
348 2KQ 0.4 0.808989
349 Y9Z 0.4 0.833333
350 1GZ 0.4 0.797753
351 NAD NDT 0.4 0.729167
352 IRC 0.4 0.816092
Ligand no: 3; Ligand: ARG HIS LYS ALY LEU MET PHE LYS; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG HIS LYS ALY LEU MET PHE LYS 1 1
2 THR SER ARG HIS LYS ALY LEU MET ALA 0.628571 0.84058
3 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.601399 0.901639
4 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.55102 0.846154
5 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.55 0.846154
6 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.541667 0.84127
7 ARG HIS LYS FDL 0.537931 0.723684
8 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.531915 0.815385
9 ALA LYS PHE ARG HIS ASP 0.522059 0.8125
10 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.521429 0.830769
11 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.51634 0.830769
12 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.513889 0.934426
13 LYS LEU LEU PHE 0.508475 0.633333
14 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.506098 0.786667
15 LYS GLY GLY ALA ALY ARG HIS ARG 0.503448 0.815385
16 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.503226 0.84375
17 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.503185 0.779412
18 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.496454 0.84375
19 ASP ALA GLU PHE ARG HIS ASP SER 0.493151 0.796875
20 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.484663 0.833333
21 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.484076 0.760563
22 PCA PHE ARG HIS ASP SER 0.482993 0.757576
23 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.48 0.75
24 GLU LEU ARG ARG LYS MET MET TYR MET 0.475524 0.764706
25 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.467626 0.777778
26 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.466667 0.796875
27 PHE TYR ARG ALA LEU MET 0.462585 0.761194
28 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.461538 0.788732
29 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.461039 0.705882
30 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.46 0.830769
31 ARG ARG PHE AIB ALA MET LEU ALA 0.456376 0.769231
32 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.454545 0.753425
33 ASP ALA GLU PHE ARG HIS ASP 0.454545 0.796875
34 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.451807 0.842857
35 ACE ALC ARG ALA MET CY1 SER LEU NH2 0.45098 0.724638
36 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.448718 0.621622
37 SER HIS LYS ILE ASP ASN LEU ASP 0.444444 0.685714
38 ACE ARG HIS LYS ALY MCM 0.441718 0.714286
39 ACE ARG HIS ALY ALY MCM 0.440789 0.723684
40 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.436242 0.8125
41 GLU LEU LYS ARG LYS MET ILE TYR MET 0.435897 0.764706
42 SER ARG HIS LYS FZN LEU MET PHE 0.435185 0.612245
43 HIS HIS ALA SER PRO ARG LYS 0.434783 0.708333
44 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.434524 0.736111
45 ARG ARG LEU ILE PHE NH2 0.431655 0.725806
46 ARG PRO MET THR PHE LYS GLY ALA LEU 0.431034 0.746667
47 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.42953 0.71875
48 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.429487 0.7
49 GLU LEU ASN ARG LYS MET ILE TYR MET 0.429448 0.757143
50 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.422857 0.867647
51 LYS HIS LYS 0.422764 0.677419
52 MET ASP TRP ASN MET HIS ALA ALA 0.420382 0.746269
53 PRO HIS LEU SER PHE MET ALA HIS 0.418182 0.779412
54 ALA ARG LYS LEU ASP 0.417323 0.6875
55 ALA HIS ALA LYS ALA 0.416667 0.733333
56 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.416216 0.733333
57 LYS ARG ARG ARG HIS PRO SER 0.415584 0.680556
58 ARG ARG ARG ARG SER TRP TYR 0.413333 0.680556
59 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.409326 0.696203
60 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.409091 0.838235
61 ARG LEU TRP SER 0.408451 0.787879
62 LYS ARG ARG ARG HIS PRO SER GLY 0.407643 0.653333
63 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.407186 0.819444
64 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.405714 0.75641
65 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.405229 0.633803
66 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.405229 0.768116
67 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.404494 0.654321
68 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.403727 0.642857
69 PHE SER GLN HIS LYS THR SER TPO ILE 0.403509 0.649351
70 LYS ARG LYS ARG LYS ARG LYS ARG 0.403226 0.655738
71 ARG LEU TYR HIS SEP LEU PRO ALA 0.402299 0.670732
72 LYS GLY HIS HIS HIS HIS HIS HIS 0.401408 0.698413
73 ARG ILE PHE SER 0.4 0.676923
74 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.4 0.826087
75 VAL ALA PHE ARG SER 0.4 0.6875
76 ARG ASP ARG ALA ALA LYS LEU 0.4 0.709677
Ligand no: 4; Ligand: OCZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 OCZ 1 1
2 4I5 0.821429 0.926829
3 2J2 0.754386 0.744186
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BUZ; Ligand: OCZ; Similar sites found: 100
This union binding pocket(no: 1) in the query (biounit: 4buz.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01695 0.42357 None
2 2BOS GLA GAL GLC 0.01798 0.42185 None
3 2ZX2 RAM 0.04883 0.40187 None
4 1RDS GPC 0.02429 0.40164 None
5 3OFK SAH 0.009153 0.41508 1.38889
6 1DJL NAP 0.001005 0.40994 1.93237
7 3RFV NAI 0.001286 0.42306 2.03252
8 3VYW SAM 0.007423 0.4095 2.03252
9 2GN2 C5P 0.03198 0.40946 2.03252
10 3LL5 IP8 0.04515 0.40316 2.03252
11 1D4O NAP 0.0007132 0.43622 2.17391
12 3BP1 GUN 0.01004 0.4261 2.43902
13 4KRI SAH 0.004903 0.42065 2.43902
14 3WKG BGC BMA 0.01559 0.41856 2.43902
15 3GXO SAH 0.01361 0.41391 2.43902
16 4AZT SAM 0.008803 0.41251 2.43902
17 2XYQ SAH 0.01425 0.40298 2.43902
18 3DXY SAM 0.0005357 0.48721 2.75229
19 1PZM 5GP 0.02537 0.41161 2.8436
20 2UYQ SAM 0.002475 0.47132 2.84553
21 3GU3 SAH 0.003286 0.45291 2.84553
22 5H6S HDH 0.02267 0.41837 2.84553
23 1XDS SAM 0.01473 0.41224 2.84553
24 1QZZ SAM 0.01943 0.40637 2.84553
25 4HXY NDP 0.002882 0.40165 2.84553
26 3DKP ADP 0.02277 0.41016 2.85714
27 1IM8 SAI 0.01041 0.40306 2.86885
28 3DEF GDP 0.004387 0.43373 3.25203
29 3B9Q MLI 0.009045 0.42736 3.25203
30 3I9U DTU 0.01872 0.41608 3.25203
31 4RDH AMP 0.01148 0.4139 3.25203
32 2EB5 OXL 0.03972 0.40617 3.25203
33 2OG2 MLI 0.01942 0.40243 3.25203
34 1P77 ATR 0.01879 0.42275 3.65854
35 1V5F FAD 0.001191 0.44538 4.06504
36 3EYK EYK 0.008505 0.42984 4.06504
37 2V3V MGD 0.00772 0.41631 4.06504
38 1G8K MGD 0.01676 0.40054 4.06504
39 1SQL GUN 0.006411 0.44877 4.10959
40 3LN9 FLC 0.03174 0.41432 4.31655
41 1YXM ADE 0.01444 0.42825 4.47154
42 1N4W FAD 0.003247 0.4131 4.47154
43 5HJM MTA 0.007959 0.41127 4.47154
44 4YAG NAI 0.004864 0.4053 4.47154
45 1J71 THR ILE THR SER 0.01813 0.42448 4.87805
46 2YX1 SFG 0.01454 0.41251 4.87805
47 1IGW PYR 0.03265 0.40947 4.87805
48 5X62 SAH 0.0142 0.40619 4.87805
49 3LRE ADP 0.03922 0.40483 4.87805
50 1NW5 SAM 0.01295 0.40182 4.87805
51 3VC1 SAH 0.008706 0.40073 4.87805
52 1G6H ADP 0.03884 0.40007 4.87805
53 1NSA BEN 0.01661 0.42262 5.28455
54 1YBH FAD 0.0002092 0.40887 5.28455
55 1T9D FAD 0.0001545 0.41045 5.613
56 2QQC AG2 0.03268 0.41055 5.66038
57 2HNK SAH 0.009916 0.40399 5.69106
58 1N13 AG2 0.02469 0.41702 5.76923
59 1UAY ADN 0.01357 0.41397 5.78512
60 2C3W GLC GLC GLC GLC 0.03248 0.41206 5.88235
61 3LGS ADE 0.0404 0.40593 6.09756
62 4NEC SAH 0.01309 0.4112 6.50407
63 4X7Y SAH 0.004123 0.40712 6.91057
64 5IL1 SAM 0.005191 0.42295 7.07547
65 2EG5 SAH 0.00838 0.42414 7.72358
66 1ZQ9 SAM 0.008942 0.4122 8.13008
67 2XSB GDL 0.03882 0.40188 8.13008
68 4QTU SAM 0.01122 0.40164 8.14815
69 3ZH4 FLC 0.01643 0.42559 8.53659
70 2B6N ALA PRO THR 0.01793 0.40327 8.53659
71 5W3X ACO 0.04508 0.40374 8.75
72 1HGX 5GP 0.02648 0.41063 9.28962
73 3F81 STT 0.03489 0.40459 9.28962
74 2C31 TZD 0.0006251 0.46181 9.34959
75 2C31 ADP 0.0006022 0.46181 9.34959
76 2VDV SAM 0.006812 0.42851 9.34959
77 3BGD SAH 0.01224 0.40292 9.34959
78 4DMG SAM 0.006914 0.43224 10.1626
79 3EGI ADP 0.009461 0.4387 10.1942
80 1EJ0 SAM 0.009883 0.41022 10.5556
81 1IG3 VIB 0.02658 0.42115 10.5691
82 4CQM NAP 0.002842 0.40188 11.4754
83 3EYA FAD 0.0004926 0.43571 11.7886
84 1O97 FAD 0.0006834 0.44978 12.1212
85 1O97 AMP 0.0006834 0.44978 12.1212
86 1PVS 7HP 0.02794 0.41016 12.1951
87 1N4K I3P 0.03971 0.40544 13.4146
88 1L3I SAH 0.003423 0.40911 14.0625
89 3IP8 B85 0.005515 0.44151 14.2276
90 4YDD MGD 0.01007 0.41149 15.4472
91 4YDD MD1 0.01007 0.41149 15.4472
92 1KYQ NAD 0.007194 0.41994 15.8537
93 5E8J SAH 0.01844 0.40748 15.9091
94 1NM5 NAP 0.002299 0.42529 16.2562
95 1NM5 NAD 0.002483 0.42478 16.2562
96 2Q28 ADP 0.000008233 0.54401 17.8862
97 1PNO NAP 0.001046 0.41483 18.3333
98 2OOR TXP 0.0005948 0.43615 18.9655
99 1G7C 5GP 0.009337 0.4299 21.2766
100 5A3B APR 0.00000003161 0.56202 28.0488
101 3U31 NAD 0.000000002167 0.68598 50
Pocket No.: 2; Query (leader) PDB : 4BUZ; Ligand: NAD; Similar sites found: 102
This union binding pocket(no: 2) in the query (biounit: 4buz.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01461 0.42357 None
2 2BOS GLA GAL GLC 0.01551 0.42185 None
3 2ZX2 RAM 0.04244 0.40187 None
4 1RDS GPC 0.02076 0.4013 None
5 3OFK SAH 0.007534 0.41508 1.38889
6 1DJL NAP 0.0005765 0.40845 1.93237
7 3RFV NAI 0.001951 0.41171 2.03252
8 3VYW SAM 0.006018 0.4095 2.03252
9 2GN2 C5P 0.02789 0.40946 2.03252
10 3LL5 IP8 0.03905 0.40316 2.03252
11 1D4O NAP 0.0005731 0.43544 2.17391
12 3BP1 GUN 0.008641 0.4261 2.43902
13 4KRI SAH 0.003969 0.42065 2.43902
14 5MPT SAH 0.005673 0.41719 2.43902
15 3GXO SAH 0.01135 0.41391 2.43902
16 4AZT SAM 0.007213 0.41251 2.43902
17 3CGD COA 0.02051 0.40721 2.43902
18 3CGD FAD 0.02051 0.40721 2.43902
19 2XYQ SAH 0.01175 0.40298 2.43902
20 3DXY SAM 0.0004317 0.48721 2.75229
21 1PZM 5GP 0.0216 0.41161 2.8436
22 2UYQ SAM 0.00208 0.47132 2.84553
23 3GU3 SAH 0.00264 0.45354 2.84553
24 5H6S HDH 0.009232 0.43936 2.84553
25 1XDS SAM 0.0123 0.41224 2.84553
26 1QZZ SAM 0.01629 0.40637 2.84553
27 4HXY NDP 0.003441 0.40633 2.84553
28 4NBW NAD 0.003437 0.40222 2.84553
29 1IM8 SAI 0.008737 0.40251 2.86885
30 3DEF GDP 0.003592 0.43373 3.25203
31 3B9Q MLI 0.00782 0.42736 3.25203
32 3I9U DTU 0.01622 0.41608 3.25203
33 4RDH AMP 0.009519 0.4139 3.25203
34 4GID 0GH 0.02215 0.41175 3.25203
35 2EB5 OXL 0.03443 0.40617 3.25203
36 1HSR BHO 0.04632 0.40381 3.25203
37 2OG2 MLI 0.017 0.40243 3.25203
38 1P77 ATR 0.016 0.42275 3.65854
39 1V5F FAD 0.0007951 0.46134 4.06504
40 2V3V MGD 0.005134 0.43092 4.06504
41 1G8K MGD 0.0111 0.41457 4.06504
42 2Q1S NAI 0.00732 0.40621 4.06504
43 1SQL GUN 0.005353 0.44912 4.10959
44 3LN9 FLC 0.02794 0.41432 4.31655
45 1N4W FAD 0.002006 0.42927 4.47154
46 1YXM ADE 0.01248 0.42825 4.47154
47 4YAG NAI 0.00309 0.42061 4.47154
48 5HJM MTA 0.006485 0.41127 4.47154
49 1J71 THR ILE THR SER 0.0155 0.42448 4.87805
50 2YX1 SFG 0.01214 0.41251 4.87805
51 5X62 SAH 0.01176 0.40619 4.87805
52 3LRE ADP 0.03414 0.40483 4.87805
53 1NW5 SAM 0.01063 0.40182 4.87805
54 3VC1 SAH 0.007017 0.40073 4.87805
55 1NSA BEN 0.01445 0.42262 5.28455
56 1T9D FAD 0.0001465 0.40054 5.613
57 2QQC AG2 0.03082 0.4076 5.66038
58 2HNK SAH 0.008072 0.40399 5.69106
59 1ORR NAD 0.005166 0.40067 5.69106
60 1N13 AG2 0.02119 0.41702 5.76923
61 1UAY ADN 0.01132 0.41397 5.78512
62 5TVF PUT 0.02454 0.41867 5.88235
63 2C3W GLC GLC GLC GLC 0.02809 0.41206 5.88235
64 1EK6 UPG 0.0129 0.4047 6.09756
65 3LGS ADE 0.04059 0.40247 6.09756
66 1EK6 NAI 0.01501 0.40048 6.09756
67 4NEC SAH 0.01087 0.4112 6.50407
68 4X7Y SAH 0.00274 0.42174 6.91057
69 5IL1 SAM 0.004223 0.42295 7.07547
70 2EG5 SAH 0.006948 0.42414 7.72358
71 1ZQ9 SAM 0.007427 0.41194 8.13008
72 2XSB GDL 0.03324 0.40188 8.13008
73 4QTU SAM 0.009178 0.40159 8.14815
74 2B6N ALA PRO THR 0.01561 0.40327 8.53659
75 1HGX 5GP 0.02256 0.41063 9.28962
76 2C31 ADP 0.0004869 0.4748 9.34959
77 2C31 TZD 0.0005048 0.4748 9.34959
78 2VDV SAM 0.005633 0.42851 9.34959
79 3BGD SAH 0.01003 0.40292 9.34959
80 2BZG SAH 0.005452 0.41797 9.48276
81 4DMG SAM 0.005743 0.43224 10.1626
82 3EGI ADP 0.007992 0.4387 10.1942
83 1EJ0 SAM 0.00811 0.41022 10.5556
84 1IG3 VIB 0.02313 0.42115 10.5691
85 3EYA FAD 0.0002759 0.45488 11.7886
86 1O97 AMP 0.0003645 0.47019 12.1212
87 1O97 FAD 0.0003645 0.47019 12.1212
88 1PVS 7HP 0.02456 0.41016 12.1951
89 4AFK FLC 0.022 0.41365 13.8211
90 1L3I SAH 0.002688 0.40911 14.0625
91 3IP8 B85 0.004588 0.44151 14.2276
92 4YDD MGD 0.007662 0.42333 15.4472
93 4YDD MD1 0.007662 0.42333 15.4472
94 1KYQ NAD 0.005902 0.41994 15.8537
95 5E8J SAH 0.01545 0.40748 15.9091
96 1NM5 NAD 0.001339 0.44385 16.2562
97 1NM5 NAP 0.00137 0.44258 16.2562
98 2Q28 ADP 0.000006134 0.54401 17.8862
99 1PNO NAP 0.0006055 0.43438 18.3333
100 2OOR TXP 0.000465 0.43572 18.9655
101 1G7C 5GP 0.007818 0.4299 21.2766
102 5A3B APR 0.00000002235 0.5953 28.0488
103 3U31 NAD 0.000000001429 0.68598 50
Pocket No.: 3; Query (leader) PDB : 4BUZ; Ligand: OAD; Similar sites found: 102
This union binding pocket(no: 3) in the query (biounit: 4buz.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.01695 0.42357 None
2 2BOS GLA GAL GLC 0.01798 0.42185 None
3 1RDS GPC 0.01901 0.40684 None
4 2ZX2 RAM 0.04883 0.40187 None
5 3OFK SAH 0.009153 0.41508 1.38889
6 1DJL NAP 0.001013 0.40985 1.93237
7 3RFV NAI 0.001315 0.42267 2.03252
8 3VYW SAM 0.007423 0.4095 2.03252
9 2GN2 C5P 0.03198 0.40946 2.03252
10 3LL5 IP8 0.04515 0.40316 2.03252
11 1D4O NAP 0.0007463 0.43544 2.17391
12 3BP1 GUN 0.006139 0.42834 2.43902
13 4KRI SAH 0.004903 0.42065 2.43902
14 3GXO SAH 0.01361 0.41391 2.43902
15 4AZT SAM 0.008803 0.41251 2.43902
16 2XYQ SAH 0.01425 0.40298 2.43902
17 3DXY SAM 0.0005357 0.48721 2.75229
18 1PZM 5GP 0.02537 0.41161 2.8436
19 2UYQ SAM 0.002475 0.47132 2.84553
20 3GU3 SAH 0.003286 0.45291 2.84553
21 5H6S HDH 0.01081 0.43936 2.84553
22 4OKD GLC GLC GLC 0.02051 0.42003 2.84553
23 3TTM PUT 0.036 0.4151 2.84553
24 1XDS SAM 0.01473 0.41224 2.84553
25 1QZZ SAM 0.01943 0.40637 2.84553
26 4NBW NAD 0.001439 0.40477 2.84553
27 4HXY NDP 0.002483 0.40406 2.84553
28 3DKP ADP 0.02277 0.41016 2.85714
29 1IM8 SAI 0.01041 0.40306 2.86885
30 3DEF GDP 0.004387 0.43373 3.25203
31 3B9Q MLI 0.009045 0.42736 3.25203
32 3I9U DTU 0.01872 0.41608 3.25203
33 4RDH AMP 0.01148 0.4139 3.25203
34 2EB5 OXL 0.03972 0.40617 3.25203
35 4GID 0GH 0.02619 0.40259 3.25203
36 2OG2 MLI 0.01942 0.40243 3.25203
37 1P77 ATR 0.01879 0.42275 3.65854
38 1V5F FAD 0.001203 0.44521 4.06504
39 2V3V MGD 0.00708 0.41789 4.06504
40 1GY8 NAD 0.002497 0.40397 4.06504
41 1G8K MGD 0.01573 0.40169 4.06504
42 1SQL GUN 0.006351 0.44897 4.10959
43 3LN9 FLC 0.03174 0.41432 4.31655
44 1YXM ADE 0.01444 0.42825 4.47154
45 1N4W FAD 0.003096 0.41391 4.47154
46 5HJM MTA 0.007959 0.41127 4.47154
47 4YAG NAI 0.004727 0.40578 4.47154
48 1J71 THR ILE THR SER 0.01813 0.42448 4.87805
49 4RW3 SHV 0.0386 0.42106 4.87805
50 2YX1 SFG 0.01454 0.41251 4.87805
51 5X62 SAH 0.0142 0.40619 4.87805
52 3LRE ADP 0.03922 0.40483 4.87805
53 1NW5 SAM 0.01295 0.40182 4.87805
54 3VC1 SAH 0.008706 0.40073 4.87805
55 1G6H ADP 0.03884 0.40007 4.87805
56 1NSA BEN 0.01661 0.42262 5.28455
57 1YBH FAD 0.0002204 0.40807 5.28455
58 1T9D FAD 0.0001555 0.41033 5.613
59 2QQC AG2 0.03268 0.41055 5.66038
60 2HNK SAH 0.009916 0.40399 5.69106
61 1N13 AG2 0.02469 0.41702 5.76923
62 1UAY ADN 0.01357 0.41397 5.78512
63 2C3W GLC GLC GLC GLC 0.03248 0.41206 5.88235
64 3LGS ADE 0.04067 0.40578 6.09756
65 4NEC SAH 0.01309 0.4112 6.50407
66 4X7Y SAH 0.004015 0.40757 6.91057
67 5IL1 SAM 0.005191 0.42295 7.07547
68 1U6R IOM 0.04193 0.40094 7.31707
69 2EG5 SAH 0.00838 0.42414 7.72358
70 1ZQ9 SAM 0.008942 0.4122 8.13008
71 2XSB GDL 0.03882 0.40188 8.13008
72 4QTU SAM 0.01122 0.40164 8.14815
73 2B6N ALA PRO THR 0.01793 0.40327 8.53659
74 5W3X ACO 0.04508 0.40374 8.75
75 1HGX 5GP 0.02648 0.41063 9.28962
76 3F81 STT 0.03489 0.40459 9.28962
77 2C31 ADP 0.0006662 0.45999 9.34959
78 2C31 TZD 0.0006914 0.45999 9.34959
79 2VDV SAM 0.006812 0.42851 9.34959
80 3BGD SAH 0.01256 0.40242 9.34959
81 4DMG SAM 0.006914 0.43224 10.1626
82 3EGI ADP 0.009461 0.4387 10.1942
83 1EJ0 SAM 0.009883 0.41022 10.5556
84 1IG3 VIB 0.02658 0.42115 10.5691
85 4CQM NAP 0.001839 0.40892 11.4754
86 3EYA FAD 0.0003626 0.44075 11.7886
87 1O97 FAD 0.0006834 0.44978 12.1212
88 1O97 AMP 0.0006834 0.44978 12.1212
89 1PVS 7HP 0.02794 0.41016 12.1951
90 1L3I SAH 0.003848 0.40983 14.0625
91 3IP8 B85 0.005515 0.44151 14.2276
92 4YDD MD1 0.009593 0.41237 15.4472
93 4YDD MGD 0.009593 0.41237 15.4472
94 1KYQ NAD 0.007194 0.41994 15.8537
95 5E8J SAH 0.01844 0.40748 15.9091
96 1NM5 NAP 0.002339 0.425 16.2562
97 1NM5 NAD 0.002843 0.42244 16.2562
98 2Q28 ADP 0.000008233 0.54401 17.8862
99 1PNO NAP 0.001061 0.41459 18.3333
100 2OOR TXP 0.0006102 0.43572 18.9655
101 1G7C 5GP 0.009337 0.4299 21.2766
102 5A3B APR 0.00000003363 0.56085 28.0488
103 3U31 NAD 0.000000002167 0.68598 50
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