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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 280 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 (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
22 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
24 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
33 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
34 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
35 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
38 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
41 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
43 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
44 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
48 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
53 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
56 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
63 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
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 : 4A0M; Ligand: NAD; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 4a0m.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5GQX GLC GLC GLC GLC 1.41129
2 3HUN ZZ7 1.54525
3 1OFL NGK GCD 1.6632
4 5A7Y SAH 1.92308
5 1X9I G6Q 1.98676
6 3LKF PC 2.00669
7 1ORR CDP 2.01729
8 3VM7 GLC 2.03252
9 4CNK MEU 2.04604
10 4RF7 ARG 2.21774
11 4XFR CIT 2.34192
12 1CT9 AMP 2.41935
13 1RYO OXL 2.44648
14 5LKC FUC GLA A2G 2.5974
15 5L2R MLA 2.62097
16 4YRD 3IT 2.78552
17 5MRH Q9Z 2.82258
18 5K8P 6R8 2.82353
19 3ESS 18N 3.04348
20 3LJU IP9 3.10881
21 5JCJ 6JM 3.125
22 3BMO AX4 3.125
23 4CNG SAH 3.13725
24 5W8X UDP 3.14136
25 3BJU ATP 3.22581
26 4NV1 TYD 3.29218
27 5EXK MET 3.32326
28 1F9V ADP 3.45821
29 1NE7 AGP 3.46021
30 3CYQ AMU 3.62319
31 2IU8 PLM 3.74332
32 2XYA 7L4 3.84615
33 2VNO GAL GAL FUC 3.88889
34 3QPB R1P 3.90071
35 1IK4 PGH 3.94737
36 4ZDJ UTP 4.03226
37 2XG5 EC2 4.04624
38 2XG5 EC5 4.04624
39 3EJ0 11X 4.08163
40 1R55 097 4.20561
41 5KJW 53C 4.44965
42 4RT1 C2E 4.46429
43 4UMA GZ3 4.5584
44 4WCX MET 4.58333
45 5TV6 PML 4.58333
46 3QSB 743 4.64481
47 1Z34 2FD 4.68085
48 5FS0 5JC 4.73934
49 2X1E X1E 4.7619
50 4DD8 BAT 4.80769
51 1I0B PEL 4.81928
52 4YJK URA 5.15873
53 4WOE ADP 5.24194
54 5JWC 4W0 5.24194
55 3EFS BTN 5.5794
56 3PUN FUC GAL NDG FUC 5.6962
57 1L5Y BEF 5.80645
58 1RJW ETF 5.8997
59 6GNO XDI 5.92593
60 1YP1 LYS ASN LEU 5.94059
61 2RI1 GLP 5.95745
62 2NU8 COA 6.25
63 6FA4 D1W 6.35838
64 2RKN LP3 6.49351
65 6BSW UDP 6.80473
66 1O8B ABF 6.84932
67 3CF6 SP1 7.18563
68 1I7M CG 7.46269
69 1LSH PLD 7.52351
70 1UYY BGC BGC 7.63359
71 4R84 CSF 7.8629
72 2XOC ADP 8.04598
73 4HDK 13X 8.04598
74 5G48 1FL 8.82353
75 1KAE NAD 9.21659
76 3RK0 AMP 9.2827
77 2ZWI C5P 9.38338
78 4XCP PLM 9.41177
79 5O2D 9HH 9.5
80 4PTN GXV 9.62099
81 1VBO MAN MAN MAN 10.0671
82 3IWD M2T 10.2941
83 5Y4R C2E 11.0345
84 5G3L SIA 11.1111
85 3F5A SIA GAL NAG 11.7886
86 5OCG 9R5 13.2275
87 2BS3 CIT 13.3891
88 3QXV MTX 13.4921
89 4OGQ 7PH 17.2414
90 4R2M ANP 19.6203
91 1MFI FHC 20.1754
92 5FUI APY 25
93 5JFL NAD 26.2097
94 5DBV COA 29.4382
95 1EZ0 NAP 30.9804
96 2Y5D NAP 36.8952
97 4NS3 NAD 36.9449
98 5KF6 NAD 38.3064
99 4LH0 GLV 39.1129
100 3HAZ NAD 40.3226
101 1KY8 NAP 44.5564
102 4OE4 NAD 44.7581
103 6B79 ORA 45.4545
104 4ZUL UN1 45.5645
105 5UCD NAP 46.1707
106 4YWV SSN 47.0968
107 4I3V NAD 47.7459
108 6FK3 PPI 47.7823
109 3EFV NAD 48.2684
110 2BJK NAD 48.9919
Pocket No.: 2; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 4a0m.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZXD ATP 1.20968
2 2IVD ACJ 2.30126
3 6E1Q CFA 3.22581
4 4FK7 P34 3.93013
5 1UTJ ABN 4.13223
6 1BZL GCG 4.32099
7 2DUR MAN MAN 4.34783
8 3TTC ADP 4.56621
9 1GPJ CIT 4.9505
10 3CM2 X23 5.38462
11 3OQJ 3CX 7.00389
12 1RYD GLC 7.25806
13 1BC5 ACE ASN TRP GLU THR PHE 7.80669
14 5LX9 OLB 8.09859
15 1LK7 DER 8.29694
16 3RF4 FUN 8.62069
17 5DYO FLU 9.17431
18 4JGP PYR 11.0599
19 3H0L ADP 12.766
20 1Z0N BCD 15.625
Pocket No.: 3; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found with APoc: 54
This union binding pocket(no: 3) in the query (biounit: 4a0m.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 5OM2 DXT 1.35501
3 3I7S PYR 1.71233
4 1IGW PYR 1.84332
5 2XCU C5P 1.87166
6 1OF8 PEP 1.89189
7 3BJE R1P 2.00573
8 1Q19 SSC 2.01613
9 4X1B MLI 2.21774
10 2VCN ISZ 2.29885
11 1ZGA SAH 2.52101
12 4RYV ZEA 2.58065
13 4YRI 4JH 2.63158
14 3BRE C2E 3.07263
15 3R7F CP 3.28947
16 4F97 GDP 3.42742
17 6F4W FMC 3.43348
18 1B4N GUA 3.62903
19 2Z4T C5P 3.6965
20 1C5C TK4 3.72093
21 2HXW FLC 3.79747
22 2QHV OC9 3.80952
23 1GPM AMP 3.83065
24 5G6U TRP 3.83142
25 3GU3 SAH 4.22535
26 5N26 CPT 4.3956
27 6BTN E8M 4.45545
28 5TVA AMP 4.58333
29 1RZU ADP 4.74227
30 5XK9 DMA 5.17241
31 3H2B SAH 5.41872
32 2VPY PCI 5.5336
33 5N2D 8J8 5.55556
34 3CBC DBS 5.55556
35 2QJT AMP 5.96591
36 1G4U AF3 5.97826
37 6MDE MEV 6.27063
38 3WCS MAN NAG GAL 6.29921
39 3WCS MAN NAG 6.29921
40 1HXD BTN 6.85358
41 3UYW TAU 7.00935
42 1T36 U 7.05645
43 2C3H GLC GLC 7.14286
44 2OFW ADX 7.21154
45 4V3C C 8.24742
46 1QXA GLY GLY GLY 8.51064
47 1KZL CRM 8.65385
48 4C1K PEP 8.77863
49 3I6B KDO 8.88889
50 4GN8 ASO 11.7057
51 5XLY C2E 12.0301
52 1Y2F WAI 13.6691
53 1HE1 AF3 14.8148
54 5CB8 ADX 19.2893
Pocket No.: 4; Query (leader) PDB : 4A0M; Ligand: NAD; Similar sites found with APoc: 8
This union binding pocket(no: 4) in the query (biounit: 4a0m.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 6BR8 PGV 1.5873
2 2IZ1 ATR 1.68776
3 2G30 ALA ALA PHE 2.71318
4 5KWW 6YA 2.82258
5 3SUC ATP 5.24194
6 2EB5 OXL 6.36704
7 3DZ6 M8E 7.46269
8 1QD0 RR6 8.59375
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