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Receptor
PDB id Resolution Class Description Source Keywords
3HAD 2 Å EC: 1.1.1.35 BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDEI NTO CATALYTIC MECHANISM HOMO SAPIENS OXIDOREDUCTASE BETA OXIDATION SCHAD CATALYTIC ACTIVITY: LHYDROXYACYL-COA + NAD(+) = 3-OXOACYL-COA + NADH
Ref.: BIOCHEMICAL CHARACTERIZATION AND CRYSTAL STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROX DEHYDROGENASE PROVIDE INSIGHTS INTO CATALYTIC MECHA BIOCHEMISTRY V. 38 5786 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:350;
B:750;
Valid;
Valid;
none;
none;
Kd = 85.5 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HAD 2 Å EC: 1.1.1.35 BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDEI NTO CATALYTIC MECHANISM HOMO SAPIENS OXIDOREDUCTASE BETA OXIDATION SCHAD CATALYTIC ACTIVITY: LHYDROXYACYL-COA + NAD(+) = 3-OXOACYL-COA + NADH
Ref.: BIOCHEMICAL CHARACTERIZATION AND CRYSTAL STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROX DEHYDROGENASE PROVIDE INSIGHTS INTO CATALYTIC MECHA BIOCHEMISTRY V. 38 5786 1999
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1M75 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1F17 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 2HDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1LSJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1F12 - 3HC C25 H42 N7 O18 P3 S CC(CC(=O)S....
6 1M76 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1IL0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1F0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3HAD Kd = 85.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1M75 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1F17 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 2HDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1LSJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1F12 - 3HC C25 H42 N7 O18 P3 S CC(CC(=O)S....
6 1M76 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1IL0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1F0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3HAD Kd = 85.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4E13 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4DYD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1M75 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1F17 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 2HDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1LSJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1F12 - 3HC C25 H42 N7 O18 P3 S CC(CC(=O)S....
8 1M76 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1IL0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1F0Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3HAD Kd = 85.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 6AA8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HAD; Ligand: NAD; Similar sites found with APoc: 634
This union binding pocket(no: 1) in the query (biounit: 3had.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 2DT5 NAD None
2 3ICC NAP None
3 3CL5 SIO 0.974026
4 5L4L NAP 0.986842
5 6C4N NAP 1.2987
6 4EUE NAI 1.2987
7 1LC3 NAD 1.36054
8 3A06 NDP 1.62338
9 5AOV NAP 1.62338
10 1X7D NAD 1.62338
11 1X7D ORN 1.62338
12 4TR9 38D 1.62338
13 3WQQ IB3 1.62338
14 3WQQ NDP 1.62338
15 4KP7 1UQ 1.62338
16 3A06 FOM 1.62338
17 4CLO NAP 1.73611
18 3JQ7 NAP 1.73611
19 3BMO NAP 1.73611
20 5JDI NAP 1.73611
21 3JQF NAP 1.73611
22 4CME NAP 1.73611
23 3JQA NAP 1.73611
24 5JDC NAP 1.73611
25 4CM4 NAP 1.73611
26 3BMQ NAP 1.73611
27 4CM8 NAP 1.73611
28 3JQG NAP 1.73611
29 5K6A NAP 1.73611
30 5JCJ NAP 1.73611
31 4CMI NAP 1.73611
32 4CLR NAP 1.73611
33 4CM9 NAP 1.73611
34 2WD7 NAP 1.86567
35 2EV9 SKM 1.90114
36 2EV9 NAP 1.90114
37 2V6G NAP 1.92308
38 4XB2 NDP 1.94805
39 4Z0H NAD 1.94805
40 4XB2 HSE 1.94805
41 6C4T NA7 1.94805
42 5KKA 6V0 1.94805
43 3ULK NDP 1.94805
44 4GKV NAD 1.94805
45 4DPL NAP 1.94805
46 4KQW NAP 1.94805
47 1P0F NAP 1.94805
48 1N1G BCP 1.94805
49 2C29 NAP 1.94805
50 4Y1B NAP 1.94805
51 3O9Z NAD 1.94805
52 3O9Z AKG 1.94805
53 5U5G NAP 2.0339
54 3RK1 ATP 2.1097
55 3U4C NDP 2.13523
56 2GDZ NAD 2.24719
57 4D3F NAP 2.27273
58 9LDB NAD 2.27273
59 9LDT NAD 2.27273
60 5YAP NAI 2.27273
61 2GCG NDP 2.27273
62 5YAP 8S0 2.27273
63 1CDO NAD 2.27273
64 6A0S HSE 2.27273
65 6A0S NDP 2.27273
66 5YU3 PRO 2.27273
67 5YU3 NAD 2.27273
68 3WMX NAD 2.27273
69 4ZVV NAD 2.27273
70 1VJT NAD 2.27273
71 1TB4 PEJ 2.27273
72 5AHO TLA 2.27273
73 1OFL NGK GCD 2.27273
74 4XFR CIT 2.27273
75 1ORR NAD 2.27273
76 3SSO SAH 2.27273
77 4USQ FAD 2.27273
78 5I39 FAD 2.27273
79 1J49 NAD 2.27273
80 4OOE FOM 2.27273
81 4OOE NDP 2.27273
82 2CHN NGT 2.27273
83 5JCM ISD 2.27273
84 4ZVV GN0 2.27273
85 4B4U NAP 2.31023
86 4BVA NDP 2.38806
87 4BVA T3 2.38806
88 2AOT SAH 2.39726
89 5FEU NAP 2.4055
90 1O5I NAD 2.40964
91 5U5N NAD 2.50896
92 1XG5 NAP 2.50896
93 5UAV TFB 2.5974
94 5UAV NDP 2.5974
95 1SC6 NAD 2.5974
96 2NU8 COA 2.5974
97 6CEP NAD 2.5974
98 6CEP OXM 2.5974
99 4XDZ NDP 2.5974
100 2B4R AES 2.5974
101 2IXB NAD 2.5974
102 2B4R NAD 2.5974
103 1GR0 NAD 2.5974
104 5DN9 NAD 2.5974
105 1UXG NAD 2.5974
106 1UXG FUM 2.5974
107 1WPQ NAD 2.5974
108 1EZ4 NAD 2.5974
109 1GZ4 ATP 2.5974
110 5E4R NAP 2.5974
111 1RP0 AHZ 2.5974
112 2IXB A2G 2.5974
113 5EOW FAD 2.5974
114 6GAR FAD 2.5974
115 4W6Z 8ID 2.5974
116 4CNK FAD 2.5974
117 2Q1W NAD 2.5974
118 3LU1 NAD 2.5974
119 1RM0 D6P 2.5974
120 1RM0 NAI 2.5974
121 5NMX FAD 2.5974
122 2FZW NAD 2.5974
123 3MAG SAH 2.60586
124 5CG1 NAD BBN 2.62295
125 6GIN IR2 2.65781
126 2FR1 NDP 2.6749
127 1GEE NAD 2.68199
128 3MCT SAH 2.6936
129 4NBW NAD 2.72374
130 3SJ7 NDP 2.77778
131 2VT3 ATP 2.7907
132 1C3V NDP 2.85714
133 5ZZ6 ADP 2.88462
134 5ZZ6 NAD 2.88462
135 6A3J NAI 2.92208
136 4UP3 NDP 2.92208
137 5NUF NAD 2.92208
138 1YS4 NAP 2.92208
139 5GZ6 NDP 2.92208
140 6A3J SOE 2.92208
141 2GLX NDP 2.92208
142 5NUE NAD 2.92208
143 5GZ6 7C3 2.92208
144 1K3T BRZ 2.92208
145 6DNT NAD 2.92208
146 4RSL FAD 2.92208
147 5LKC FUC GLA A2G 2.92208
148 2HIM ASP 2.92208
149 5JWC FAD 2.92208
150 6GAS FAD 2.92208
151 3VPH NAD 2.92208
152 1YKJ FAD 2.92208
153 5HV7 RBL 2.92208
154 2ZJ1 ARJ 2.92208
155 2ZJ1 NAD 2.92208
156 3VPH OXM 2.92208
157 1ZH8 NAP 2.94118
158 5THQ NDP 2.94118
159 3WBF NAP 2.95082
160 3WBF API 2.95082
161 1O6Z NAD 2.9703
162 3Q3C NAD 3.01003
163 5ZI9 FLC 3.07692
164 2ZAT NAP 3.07692
165 1GEG NAD 3.125
166 1ZQ9 SAM 3.15789
167 2VOH CIT 3.18471
168 2G5C NAD 3.20285
169 2EWM NAD 3.21285
170 1PJS NAD 3.24675
171 1X14 NAD 3.24675
172 1EBF NAD 3.24675
173 1SOW NAD 3.24675
174 6BII NAP 3.24675
175 2YYY NAP 3.24675
176 1LJ8 NAD 3.24675
177 1M2W NAD 3.24675
178 3IHG FAD 3.24675
179 1VKO NAD 3.24675
180 2CVQ NDP 3.24675
181 5EIN NAP 3.24675
182 3C1O NAP 3.24675
183 1DLJ NAI 3.24675
184 6C4M NAP 3.24675
185 1DLJ UGA 3.24675
186 2DKH FAD 3.24675
187 1T26 NAI 3.24675
188 1T26 GBD 3.24675
189 3LZW FAD 3.24675
190 6EL3 NAP 3.24675
191 5G3U FDA 3.24675
192 1E7S NAP 3.24675
193 1M2W MTL 3.24675
194 3G5S FAD 3.24675
195 3ETG GLU 3.24675
196 3ETG NDP 3.24675
197 2Q46 NAP 3.24675
198 3AB1 FAD 3.24675
199 2WET FAD 3.24675
200 5ZBC FAD 3.24675
201 2AQJ FAD 3.24675
202 4D7E FAD 3.24675
203 3OIG NAD 3.38346
204 2D2I NAP 3.42105
205 5GT9 NAP 3.42205
206 3B1F NAD 3.44828
207 1N5D NDP 3.47222
208 2NXE SAM 3.54331
209 4JJF FE9 3.57143
210 1HKU NAD 3.57143
211 4JJF N2I 3.57143
212 1UP7 NAD 3.57143
213 4TXI FAD 3.57143
214 2CDC XYP 3.57143
215 2CDC XYS 3.57143
216 2CDC NAP 3.57143
217 5A1T NAI 3.57143
218 5A1T OXM 3.57143
219 5BRT FAD 3.57143
220 6AIN FAD 3.57143
221 3C7A NAD 3.57143
222 2NAD NAD 3.57143
223 2VHW NAI 3.57143
224 5FCF GLY GLY GLY 3.57143
225 6BWL NAD 3.57143
226 2GMH FAD 3.57143
227 2BGM NAJ 3.59712
228 6F7L FAD 3.61991
229 1YJQ NAP 3.63036
230 3GEG NAD 3.64372
231 2BKA NDP 3.71901
232 1H5Q NAP 3.77358
233 3O03 NAP 3.78007
234 3H4V NAP 3.81944
235 3B20 NAD 3.83481
236 3B1J NAD 3.83481
237 5G4L NDP 3.84615
238 6CI9 NAP 3.861
239 1LTH NAD 3.8961
240 2Q0L NAP 3.8961
241 1F8G NAD 3.8961
242 4XDY NAI 3.8961
243 1E3I CXF 3.8961
244 1F8F NAD 3.8961
245 1KOL NAD 3.8961
246 2GSD NAD 3.8961
247 1NM5 NAD 3.8961
248 1L7E NAI 3.8961
249 5MSO NAP 3.8961
250 3CIF NAD 3.89972
251 3CIF G3H 3.89972
252 1E6E FAD 3.90625
253 1VM6 NAD 3.94737
254 5A96 GTP 4.01606
255 3AXB FAD 4.01786
256 3AXB PRO 4.01786
257 2OOR NAD 4.02299
258 4URF NAD 4.03226
259 4EDF UPG 4.04858
260 3NUG NAD 4.04858
261 5Y8L NAD 4.0678
262 5Y8L HUI 4.0678
263 1HDR NAD 4.09836
264 1EDO NAP 4.09836
265 1VL8 NAP 4.11985
266 1A5Z NAD 4.22078
267 2HJR APR 4.22078
268 3K5I AIR 4.22078
269 4E5N NAD 4.22078
270 5KVS NAP 4.22078
271 4HXY NDP 4.22078
272 5KVS 6XR 4.22078
273 2YY7 NAD 4.22078
274 4XQC NAD 4.22078
275 1F06 2NP 4.22078
276 1F06 NDP 4.22078
277 4XQC 13D 4.22078
278 1RPN NDP 4.22078
279 3A4V NAD 4.22078
280 5Z21 NAI 4.22078
281 4PVD NDP 4.22078
282 3I6I NDP 4.22078
283 1GQ2 NAP 4.32432
284 2HK9 ATR 4.36364
285 2HK9 NAP 4.36364
286 4YAC NAI 4.3771
287 5O4J SAH 4.37956
288 5O4J PJL 4.37956
289 5O4J 9KH 4.37956
290 5CSS G3P 4.42478
291 3AD8 NAD 4.4335
292 5EES NAP 4.45344
293 5Z20 NAI 4.54545
294 1HYE NAP 4.54545
295 5W3K 9TY 4.54545
296 2BRY FAD 4.54545
297 5W3K NDP 4.54545
298 3GMB FAD 4.54545
299 3KLJ FAD 4.54545
300 4PIV NDP 4.54545
301 1Z45 NAD 4.54545
302 5FI3 NAP 4.54545
303 5U8U FAD 4.54545
304 1U8X NAD 4.54545
305 4USR FAD 4.54545
306 4R1S NAP 4.54545
307 4NTD FAD 4.54545
308 1RYI FAD 4.54545
309 1Q3P GLU ALA GLN THR ARG LEU 4.58716
310 4CQM NAP 4.5977
311 3R7F CP 4.60526
312 5N53 8NB 4.61538
313 3SJU NDP 4.6595
314 5N6C NAD 4.66667
315 3NGL NAP 4.71014
316 4FN4 NAD 4.72441
317 1DRV A3D 4.7619
318 1VKF CIT 4.78723
319 4KOA NDP 4.87013
320 2A92 NAI 4.87013
321 1E5Q NDP 4.87013
322 4MDH NAD 4.87013
323 1V8B NAD 4.87013
324 5MDH NAD 4.87013
325 3L9W AMP 4.87013
326 3L9W GSH 4.87013
327 2B5W NAP 4.87013
328 5M67 ADE 4.87013
329 5M67 NAD 4.87013
330 3NJ4 NAD 4.87013
331 4U7W NDP 4.87013
332 4A0S NAP 4.87013
333 1F20 FAD 4.87013
334 1QO8 FAD 4.87013
335 3NJ4 AFX 4.87013
336 4EIP FAD 4.87013
337 5M67 3D1 4.87013
338 5UZ8 GSH 4.87013
339 2BD0 NAP 4.91803
340 5VKT NAP 4.97238
341 3WV8 ATP 5.04587
342 1WP4 NDP 5.19031
343 2CVZ NDP 5.19031
344 4YT4 FE9 5.19481
345 3GFB NAD 5.19481
346 3ABI NAD 5.19481
347 5X20 NAD 5.19481
348 4R5M NAP 5.19481
349 1Y8Q ATP 5.19481
350 1KEV NDP 5.19481
351 3GGO NAI 5.19481
352 3GGO ENO 5.19481
353 4XYB NDP 5.19481
354 1Z82 NDP 5.19481
355 4R5M 4NO 5.19481
356 1KJ8 GAR 5.19481
357 2ZXI FAD 5.19481
358 3KO8 NAD 5.19481
359 1P31 EPU 5.19481
360 2RAB NAD 5.19481
361 4OPC PGT 5.19481
362 3RC1 TLO 5.19481
363 2CFC NAD 5.2
364 1DIG NAP 5.22876
365 1DIG L37 5.22876
366 1X87 NAD 5.26316
367 1OMO NAD 5.2795
368 3GRU AMP 5.42373
369 1KYQ NAD 5.47445
370 1P77 ATR 5.51471
371 3ICS ADP 5.51948
372 3ICT ADP 5.51948
373 1BW9 NAD 5.51948
374 3GD4 NAD 5.51948
375 1C1X NAD 5.51948
376 1LDM NAD 5.51948
377 1BXG NAD 5.51948
378 2RGJ FAD 5.51948
379 2CUL FAD 5.51948
380 4TQG NDP 5.51948
381 3FPZ AHZ 5.51948
382 3ICS FAD 5.51948
383 3ICR FAD 5.51948
384 3AXM 6PG 5.51948
385 4ZRN NAD 5.51948
386 3GD4 FAD 5.51948
387 2IZ1 ATR 5.51948
388 3ICT FAD 5.51948
389 4ZCC FAD 5.51948
390 4X9M FAD 5.51948
391 1HYH NAD 5.51948
392 1NYT NAP 5.53506
393 2D5A COA 5.55556
394 5JE8 NAD 5.62914
395 1W8D NAP 5.62914
396 1W73 NAP 5.62914
397 2AHR NAP 5.79151
398 4NBT NAD 5.83333
399 5FFF NAP 5.83658
400 1GV0 NAD 5.84416
401 1I36 NAP 5.84416
402 4KVL PLM 5.84416
403 1O0S NAI 5.84416
404 1GUZ NAD 5.84416
405 1B8U NAD 5.84416
406 6F3M NAD 5.84416
407 1GZ6 NAI 5.84416
408 2PK3 A2R 5.84416
409 5KJW 53C 5.84416
410 6F3N ADN 5.84416
411 6F3N NAD 5.84416
412 3T31 DCQ 5.84416
413 3T31 FAD 5.84416
414 1B8U OAA 5.84416
415 5EZ7 FAD 5.84416
416 1Q1R FAD 5.84416
417 1Y1P NMN AMP PO4 5.84795
418 4Y9D NAI 5.90164
419 1JG3 ADN 5.95745
420 1W6U NAP 5.96026
421 4TSK NDP 6
422 4XZ3 COA 6.08696
423 1RJW ETF 6.16883
424 1DJN ADP 6.16883
425 1O94 ADP 6.16883
426 3L4S NAD 6.16883
427 1D1T NAD 6.16883
428 3L4S 3PG 6.16883
429 2I3G NAP 6.16883
430 1EQ2 NAP 6.16883
431 2GZ3 NAP 6.16883
432 2IVD FAD 6.16883
433 4J1Q NDP 6.16883
434 3NKS FAD 6.16883
435 5OCM NAP 6.18557
436 5X9D 80F 6.25
437 2DKN NAI 6.27451
438 1XCL SAH 6.38298
439 3KB6 NAD 6.49351
440 1HDG NAD 6.49351
441 2X6T NAP 6.49351
442 1BXK NAD 6.49351
443 5EVY FAD 6.49351
444 3LXD FAD 6.49351
445 1U3U NAD 6.49351
446 1U3U BNF 6.49351
447 6FHO FAD 6.49351
448 5Y77 FAD 6.49351
449 1REO FAD 6.49351
450 3E1T FAD 6.49351
451 3BAZ NAP 6.60661
452 4YSX FAD 6.73759
453 1XHC FAD 6.81199
454 3V1Y NAD 6.81818
455 4ZGS NAD 6.81818
456 4PLT NAI 6.81818
457 1LLU NAD 6.81818
458 4MP8 NAD 6.81818
459 4MP8 MLI 6.81818
460 4PLT OXM 6.81818
461 5TC4 NAD 6.81818
462 3FG2 FAD 6.81818
463 4GLL NAD 6.81818
464 1NE7 AGP 6.92042
465 3WLE NAD 7.03812
466 2YVJ NAI 7.14286
467 1H2B NAJ 7.14286
468 3O5N BR0 7.14286
469 1PZG A3D 7.14286
470 5X68 FAD 7.14286
471 2YVF FAD 7.14286
472 2YVF NAD 7.14286
473 2O4C NAD 7.14286
474 5Z2F NAP 7.16981
475 4NBU NAI 7.2
476 2OQ2 A3P 7.27969
477 5N2I NAP 7.32759
478 1VI2 NAD 7.33333
479 5Z2L NDP 7.34694
480 3AY6 NAI 7.43494
481 5D4V SAH 7.46269
482 5LD5 NAD 7.46753
483 3S5W NAP 7.46753
484 4CJX NAP 7.46753
485 3S5W FAD 7.46753
486 5J5Z FAD 7.46753
487 4PLG NAI 7.46753
488 4PLG OXM 7.46753
489 4EMI NAD 7.46753
490 4EMI FAD 7.46753
491 5KMS NAD 7.46753
492 1R37 NAD 7.4928
493 5TVA AMP 7.5
494 1V6A TRE 7.53012
495 1P1C SAH 7.53769
496 1NPD NAD 7.63889
497 1LUA NAP 7.66551
498 2PV7 NAD 7.71812
499 4RF2 NAP 7.72059
500 3OID NDP 7.75194
501 3OA2 NAD 7.79221
502 5VN0 NAI 7.79221
503 5J60 FAD 7.79221
504 3RFV 15L 7.86517
505 3RFV NAI 7.86517
506 2AG8 NAP 7.98479
507 4RDH AMP 7.98611
508 4RDI ATP 7.98611
509 1CF2 NAP 8.01187
510 1MUU NAD 8.11688
511 1MV8 NAD 8.11688
512 1LDN NAD 8.11688
513 2NVK NAP 8.11688
514 1CER NAD 8.11688
515 4L8V NAP 8.11688
516 1YKF NAP 8.11688
517 5TUK FAD 8.11688
518 1OBB NAD 8.11688
519 1PS9 NAP 8.11688
520 5A04 BGC 8.11688
521 5A04 NDP 8.11688
522 3QWI NAP 8.14815
523 5BSH PRO 8.30325
524 1RM4 NDP 8.30861
525 4D79 ATP 8.33333
526 5YEC ATP 8.40336
527 1NVM NAD 8.44156
528 2GV8 NDP 8.44156
529 2GVC FAD 8.44156
530 3FWN ATR 8.44156
531 1VQW FAD 8.44156
532 2GV8 FAD 8.44156
533 3OJO NAD 8.44156
534 5NII FAD 8.44156
535 2JAP NDP 8.50202
536 4YAG NAI 8.65052
537 1NVT NAP 8.76623
538 2GAG NAD 8.76623
539 4JBI NDP 8.76623
540 3V1U NAD 8.76623
541 1SAY PYR 8.76623
542 1ZEM NAD 8.77863
543 5CAE COA 8.86076
544 5CAE SIN 8.86076
545 4JK3 NAD 8.88031
546 4J4H 1J1 8.88031
547 4J4H NAI 8.88031
548 5TUF FAD 9.09091
549 4O0L NDP 9.09091
550 1U1I NAD 9.09091
551 3OND ADN 9.09091
552 3OND NAD 9.09091
553 2Q7V FAD 9.09091
554 1IY8 NAD 9.09091
555 2DC1 NAD 9.32203
556 5AYV NAP 9.41558
557 4K5S FAD 9.41558
558 2Y6Q FAD 9.41558
559 2QA1 FAD 9.41558
560 5AYV KPL 9.41558
561 1WVG APR 9.41558
562 1JAY NAP 9.43396
563 3MMH SME 9.58084
564 3H8V ATP 9.58904
565 1FK8 NAD 9.72763
566 5MQ6 NDP 9.74026
567 1YB5 NAP 9.74026
568 1YQD NAP 9.83607
569 3D3W NAP 9.83607
570 5L95 AMP 10.0358
571 1PL6 NAD 10.0649
572 1PL6 572 10.0649
573 1GY8 NAD 10.0649
574 4JDR FAD 10.0649
575 3IP8 B85 10.0806
576 5ZI2 NAD 10.1449
577 5ZI2 ADP 10.1449
578 5OJL TXP 10.3896
579 1V59 NAD 10.3896
580 5GWT NAD 10.3896
581 1VL0 NAI 10.9589
582 1LVL NAD 11.039
583 5T9E NAP 11.0701
584 5T9F TYR 11.0701
585 5T9F NAP 11.0701
586 2HMT NAI 11.1111
587 5H81 NAP 11.3636
588 3A28 NAD 11.6279
589 3TWO NDP 11.6883
590 3QJ4 FAD 11.6883
591 5K4W NAI 11.6883
592 2DFV NAD 12.013
593 5GSN NAP 12.013
594 5GSN FAD 12.013
595 3TN7 NJP 12.0623
596 3QV1 NAD 12.1951
597 2JL1 NAP 12.1951
598 1FWV SGA MAG FUC 12.6866
599 2QZZ NAP 12.8931
600 2QZZ EMF 12.8931
601 4YCA NDP 12.987
602 1QMG APX 13.3117
603 1DSS NAD 13.6364
604 3DXY SAM 13.7615
605 5UR0 NAD 13.961
606 1J0X NAD 13.961
607 4OSP NAP 14.0684
608 1J5P NAD 14.2292
609 3ORF NAD 14.3426
610 5ODQ 9SB 14.433
611 5ODQ FAD 14.433
612 3H5N ATP 14.6104
613 1PGP 6PG 14.6104
614 3CGB FAD 14.6104
615 2F1K NAP 14.6953
616 3H9E NAD 15.2597
617 5Z75 NAD 15.2905
618 3CGD FAD 15.5844
619 3CGD COA 15.5844
620 3CGD NAD 15.5844
621 5XVH NAP 16.0131
622 4RQU NAD 16.8831
623 6F9Q NAD 17.6471
624 1LSS NAD 17.8571
625 4II2 ATP 17.8571
626 3DAG FEG 18.8312
627 2VYN NAD 19.1558
628 1GAD NAD 20.7792
629 2CDU ADP 22.7273
630 2CDU FAD 22.7273
631 2DBZ NAP 23.3766
632 2NPX NAD 24.3506
633 1ONI BEZ 36.2319
634 4OM8 NAD 49.026
Pocket No.: 2; Query (leader) PDB : 3HAD; Ligand: NAD; Similar sites found with APoc: 58
This union binding pocket(no: 2) in the query (biounit: 3had.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2GNK ATP None
2 3LLZ GAL NGA None
3 3QXV MTX None
4 5J7X FAD 1.2987
5 4KP7 NAP 1.62338
6 4P7U 1PS 1.78571
7 4R8L ASP 2.27273
8 4RW3 PLM 2.31788
9 2WCU FUC 2.68456
10 6GNA FAD 2.77778
11 1I9G SAM 2.85714
12 5KVA SAM 2.8777
13 1SQF SAM 2.92208
14 4FWE FAD 2.92208
15 6BQ6 TER 3.24675
16 5TTJ FAD 3.26531
17 4ZFL 4NK 3.4188
18 5F7J ADE 3.57143
19 2YG3 FAD 3.57143
20 3NT6 FAD 3.57143
21 5DMZ ADP 3.57143
22 3NTD FAD 3.57143
23 2Q0L FAD 3.8961
24 5FJN FAD 3.94737
25 4LRJ ANP 4.14201
26 4M52 FAD 4.22078
27 3CBG SAH 4.31034
28 5AJU RP5 4.37956
29 5DF1 58X 4.54545
30 5DF1 NAP 4.54545
31 1VBO MAN MAN MAN 4.69799
32 5JZJ AN2 4.7138
33 2JK0 ASP 4.87013
34 4DDY DN6 4.94297
35 2RAB FAD 5.19481
36 2VVM FAD 5.51948
37 2VVL FAD 5.51948
38 3LAD FAD 5.67227
39 4XYM COA 6.08696
40 5TS5 FAD 6.16883
41 5OFW 9TW 6.27803
42 3Q9N COA 6.32911
43 5OFI 9TQ 6.55738
44 3QFA FAD 7.14286
45 2F5Z FAD 7.46753
46 3HRD NIO 7.79221
47 2NVK FAD 8.11688
48 1RSG FAD 8.33333
49 6GNC FAD 9.52381
50 3KP6 SAL 9.93377
51 1V59 FAD 10.3896
52 3SQP FAD 12.013
53 1ZGA SAH 12.6623
54 5YRL GLC GLC 12.6761
55 5YRF GLC GLC 12.6761
56 1UAY ADN 15.2893
57 6GMN F4E 16.3462
58 3RNM FAD 17.2414
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