Receptor
PDB id Resolution Class Description Source Keywords
4A0M 2.3 Å EC: 1.2.1.8 CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH IN COMPLEX WITH NAD SPINACIA OLERACEA ALDEHYDE OXIDATION NAD COMPLEX OXIDOREDUCTASE
Ref.: AMINO ACID RESIDUES CRITICAL FOR THE SPECIFICITY FO BETAINE ALDEHYDE OF THE PLANT ALDH10 ISOENZYME INVO THE SYNTHESIS OF GLYCINE BETAINE. PLANT PHYSIOL. V. 158 1570 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1499;
A:1500;
C:1499;
D:1499;
D:1500;
D:1501;
D:1502;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:1497;
A:1501;
B:1497;
B:1499;
C:1497;
C:1500;
C:1501;
D:1497;
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
39.098 K [K+]
NAD A:1498;
B:1498;
C:1498;
D:1498;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A0M 2.3 Å EC: 1.2.1.8 CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH IN COMPLEX WITH NAD SPINACIA OLERACEA ALDEHYDE OXIDATION NAD COMPLEX OXIDOREDUCTASE
Ref.: AMINO ACID RESIDUES CRITICAL FOR THE SPECIFICITY FO BETAINE ALDEHYDE OF THE PLANT ALDH10 ISOENZYME INVO THE SYNTHESIS OF GLYCINE BETAINE. PLANT PHYSIOL. V. 158 1570 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
21 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
22 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
23 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
25 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
32 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
33 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
34 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
37 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
40 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
42 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
43 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 2W8Q - SIN C4 H6 O4 O=C([O-])C....
47 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 4a0m.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HUN ZZ7 0.03322 0.40947 1.54525
2 1OFL NGK GCD 0.01857 0.41978 1.6632
3 1X9I G6Q 0.02444 0.40494 1.98676
4 3LKF PC 0.02549 0.41665 2.00669
5 3VM7 GLC 0.03067 0.40215 2.03252
6 4CNK MEU 0.02763 0.40077 2.04604
7 4XFR CIT 0.04115 0.40493 2.34192
8 1RYO OXL 0.0211 0.40715 2.44648
9 5LKC FUC GLA A2G 0.03194 0.40017 2.5974
10 4YRD 3IT 0.01582 0.4186 2.78552
11 5MRH Q9Z 0.04057 0.40087 2.82258
12 3ESS 18N 0.02973 0.41432 3.04348
13 3LJU IP9 0.03188 0.4144 3.10881
14 5JCJ 6JM 0.02134 0.41977 3.125
15 3BMO AX4 0.04262 0.40563 3.125
16 4NV1 TYD 0.034 0.40648 3.29218
17 1NE7 AGP 0.02235 0.4034 3.46021
18 3CYQ AMU 0.02792 0.41961 3.62319
19 2XYA 7L4 0.01213 0.43314 3.84615
20 1IK4 PGH 0.01943 0.40992 3.94737
21 2XG5 EC2 0.0003909 0.51951 4.04624
22 2XG5 EC5 0.0003909 0.51951 4.04624
23 3EJ0 11X 0.009829 0.43993 4.08163
24 1R55 097 0.009542 0.43381 4.20561
25 4UMA GZ3 0.02768 0.40581 4.5584
26 4WCX MET 0.001063 0.48905 4.58333
27 3QSB 743 0.003045 0.45459 4.64481
28 4K3P ACE GLN LEU ALA LEU PHE 0.01244 0.40261 4.64481
29 1Z34 2FD 0.02226 0.40697 4.68085
30 2X1E X1E 0.004348 0.45857 4.7619
31 1I0B PEL 0.01317 0.44686 4.81928
32 1GPJ CIT 0.02476 0.41789 4.9505
33 4WOE ADP 0.03543 0.40859 5.24194
34 5JWC 4W0 0.03472 0.40075 5.24194
35 3EFS BTN 0.005884 0.42047 5.5794
36 3PUN FUC GAL NDG FUC 0.03122 0.41056 5.6962
37 1L5Y BEF 0.02538 0.41401 5.80645
38 1YP1 LYS ASN LEU 0.01556 0.42713 5.94059
39 2RI1 GLP 0.03752 0.40815 5.95745
40 1I7M CG 0.03594 0.40365 7.46269
41 2WZ5 MET 0.002225 0.47372 7.84314
42 4R84 CSF 0.002125 0.44864 7.8629
43 2XOC ADP 0.007744 0.41045 8.04598
44 1KAE NAD 0.01835 0.41117 9.21659
45 3RK0 AMP 0.01945 0.4099 9.2827
46 2ZWI C5P 0.01559 0.41856 9.38338
47 4PTN GXV 0.02499 0.4161 9.62099
48 1VBO MAN MAN MAN 0.031 0.41157 10.0671
49 3F5A SIA GAL NAG 0.006631 0.42832 11.7886
50 4DSU BZI 0.003031 0.46678 13.2275
51 2BS3 CIT 0.02237 0.4001 13.3891
52 3QXV MTX 0.006504 0.42948 13.4921
53 5FUI APY 0.001484 0.45617 25
54 5JFL NAD 0.00000001721 0.5849 26.2097
55 1EZ0 NAP 0.00000005031 0.57863 30.9804
56 2Y5D NAP 0.000000004921 0.63485 36.8952
57 4NS3 NAD 0.000000008063 0.68636 36.9449
58 5KF6 NAD 0.0000000000001522 0.78702 38.3064
59 4LH0 GLV 0.00000000001857 0.7193 39.1129
60 3HAZ NAD 0.0000000000002411 0.78514 40.3226
61 1KY8 NAP 0.0000000000001242 0.67544 44.5564
62 4OE4 NAD 0.0000000005151 0.74052 44.7581
63 4ZUL UN1 0.000000003591 0.62738 45.5645
64 5UCD NAP 0.00000000003585 0.72653 46.1707
65 4YWV SSN 0.000000004536 0.6175 47.0968
66 4I3V NAD 0.00000000000121 0.75041 47.7459
67 3EFV NAD 0.00000000008134 0.69691 48.2684
68 2BJK NAD 0.00000000000002087 0.77506 48.9919
Pocket No.: 2; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4a0m.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found: 34
This union binding pocket(no: 3) in the query (biounit: 4a0m.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XCU C5P 0.049 0.40238 1.87166
2 1OF8 PEP 0.04257 0.40191 1.89189
3 3BJE R1P 0.04097 0.4028 2.00573
4 1Q19 SSC 0.01912 0.42672 2.01613
5 2IVD ACJ 0.01365 0.42383 2.30126
6 1ZGA SAH 0.0274 0.4013 2.52101
7 3BRE C2E 0.02272 0.42059 3.07263
8 4F97 GDP 0.03535 0.40253 3.42742
9 2Z4T C5P 0.01833 0.41726 3.6965
10 1C5C TK4 0.04247 0.40775 3.72093
11 2QHV OC9 0.04114 0.4027 3.80952
12 3GU3 SAH 0.03523 0.40261 4.22535
13 5TVA AMP 0.01716 0.4149 4.58333
14 1RZU ADP 0.02649 0.40542 4.74227
15 3H2B SAH 0.01006 0.40911 5.41872
16 2VPY PCI 0.03658 0.40933 5.5336
17 5N2D 8J8 0.01032 0.41174 5.55556
18 3CBC DBS 0.02689 0.40973 5.55556
19 1G4U AF3 0.03525 0.40291 5.97826
20 3WCS MAN NAG GAL 0.01457 0.42237 6.29921
21 3WCS MAN NAG 0.03144 0.41291 6.29921
22 1HXD BTN 0.01617 0.40588 6.85358
23 3OQJ 3CX 0.04196 0.40607 7.00389
24 2OFW ADX 0.0152 0.40102 7.21154
25 1RYD GLC 0.0311 0.41473 7.25806
26 1LK7 DER 0.03381 0.40006 8.29694
27 1QXA GLY GLY GLY 0.03832 0.42637 8.51064
28 3RF4 FUN 0.03887 0.40789 8.62069
29 1KZL CRM 0.007612 0.43682 8.65385
30 4C1K PEP 0.02512 0.41819 8.77863
31 3I6B KDO 0.04663 0.40356 8.88889
32 5XLY C2E 0.01019 0.41528 12.0301
33 1Y2F WAI 0.03798 0.40765 13.6691
34 1HE1 AF3 0.04343 0.40525 14.8148
Pocket No.: 4; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4a0m.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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