Receptor
PDB id Resolution Class Description Source Keywords
4FR8 2.2 Å EC: 1.2.1.3 CRYSTAL STRUCTURE OF HUMAN ALDEHYDE DEHYDROGENASE-2 IN COMPL NITROGLYCERIN HOMO SAPIENS ROSSMANN FOLD OXIDOREDUCTASE OXIDOREDUCTASE-OXIDOREDUCTASEINHIBITOR COMPLEX
Ref.: VASCULAR BIOACTIVATION OF NITROGLYCERIN BY ALDEHYDE DEHYDROGENASE-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY. J.BIOL.CHEM. V. 287 38124 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:1001;
E:1001;
G:1001;
H:1001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
BTB G:1004;
Invalid;
none;
submit data
209.24 C8 H19 N O5 C(CO)...
MG A:603;
B:1002;
C:1002;
D:1002;
E:1002;
F:1002;
G:1002;
H:1002;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:605;
B:1004;
C:1004;
D:1004;
E:1003;
F:1003;
G:1003;
H:1003;
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
22.99 Na [Na+]
NAD A:1001;
C:1001;
D:1001;
F:1001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
TNG A:601;
Valid;
none;
submit data
227.086 C3 H5 N3 O9 C(C(C...
URE A:604;
B:1003;
C:1003;
C:1005;
D:1003;
E:1004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
60.055 C H4 N2 O C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L13 2.4 Å EC: 1.2.1.3 STRUCTURE OF ALDH2 IN COMPLEX WITH 2P3 HOMO SAPIENS OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: INHIBITION OF THE ALDEHYDE DEHYDROGENASE 1/2 FAMILY PSORALEN AND COUMARIN DERIVATIVES. J. MED. CHEM. V. 60 2439 2017
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
4 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
5 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
6 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
9 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
12 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
14 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
15 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (33)
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 6DUM ic50 = 0.08 uM A5Y C21 H17 F N4 O2 S c1ccc(cc1)....
4 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
5 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
7 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
8 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
9 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
11 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
12 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
13 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
14 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
17 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
18 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
19 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
22 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
25 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
27 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
28 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
33 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
50% Homology Family (66)
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 6DUM ic50 = 0.08 uM A5Y C21 H17 F N4 O2 S c1ccc(cc1)....
4 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
5 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
7 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
8 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
9 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
11 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
12 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
13 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
14 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 2ID2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
25 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
26 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
27 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
31 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
35 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
36 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
37 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
40 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
43 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
45 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
46 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
50 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 1UXT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
53 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
54 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
56 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
57 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
58 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
59 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
66 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 486
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AT4 0.84507 0.958904
11 AN2 0.84507 0.985915
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 AMP 0.823529 0.971429
15 A 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 AR6 0.810811 0.971831
19 APR 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 SAP 0.8 0.945946
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 T99 0.779221 0.958904
27 TAT 0.779221 0.958904
28 KG4 0.773333 0.945205
29 50T 0.773333 0.958333
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP MG 0.746667 0.943662
38 A12 0.743243 0.958904
39 AP2 0.743243 0.958904
40 SRA 0.736111 0.918919
41 ADQ 0.73494 0.945205
42 25L 0.732558 0.985915
43 8LE 0.725 0.894737
44 5AL 0.725 0.931507
45 2A5 0.717949 0.918919
46 AU1 0.714286 0.972222
47 A1R 0.714286 0.907895
48 A3R 0.714286 0.907895
49 APC MG 0.708861 0.917808
50 ATR 0.708861 0.971429
51 PAP 0.708861 0.985714
52 ATP MG 0.708861 0.943662
53 ADP PO3 0.708861 0.943662
54 8LH 0.707317 0.906667
55 SRP 0.707317 0.906667
56 7D3 0.706667 0.905405
57 25A 0.702381 0.971831
58 OZV 0.702381 0.971831
59 OAD 0.697674 0.945205
60 9X8 0.697674 0.92
61 8LQ 0.690476 0.906667
62 RBY 0.6875 0.932432
63 ADV 0.6875 0.932432
64 00A 0.686047 0.883117
65 5SV 0.682353 0.848101
66 OOB 0.682353 0.931507
67 8QN 0.682353 0.931507
68 BIS 0.681818 0.933333
69 3OD 0.681818 0.945205
70 ALF ADP 0.674699 0.87013
71 ADP ALF 0.674699 0.87013
72 AMO 0.674419 0.932432
73 PAJ 0.674419 0.884615
74 4AD 0.674419 0.92
75 GAP 0.670732 0.893333
76 MAP 0.670588 0.945946
77 AHX 0.666667 0.896104
78 VO4 ADP 0.666667 0.931507
79 ADP VO4 0.666667 0.931507
80 DLL 0.666667 0.931507
81 PTJ 0.662921 0.896104
82 3UK 0.659091 0.918919
83 SON 0.658228 0.932432
84 LMS 0.653333 0.82716
85 PR8 0.651685 0.85
86 LAD 0.651685 0.860759
87 B5V 0.651685 0.906667
88 WAQ 0.651685 0.883117
89 7D4 0.65 0.905405
90 ITT 0.65 0.943662
91 G5P 0.648936 0.921053
92 XYA 0.647059 0.84507
93 ADN 0.647059 0.84507
94 RAB 0.647059 0.84507
95 1ZZ 0.644444 0.839506
96 ME8 0.644444 0.839506
97 FYA 0.644444 0.905405
98 TXA 0.644444 0.932432
99 NB8 0.644444 0.896104
100 6AD 0.642857 0.909091
101 ADP BMA 0.640449 0.918919
102 G3A 0.638298 0.921053
103 DAL AMP 0.632184 0.905405
104 AFH 0.631579 0.884615
105 9SN 0.630435 0.871795
106 GTA 0.625 0.886076
107 9ZA 0.625 0.907895
108 DQV 0.625 0.958333
109 9ZD 0.625 0.907895
110 FA5 0.623656 0.906667
111 B5M 0.623656 0.894737
112 YAP 0.623656 0.894737
113 B5Y 0.623656 0.894737
114 UP5 0.622449 0.92
115 NO7 0.62069 0.932432
116 JSQ 0.619048 0.945946
117 HFD 0.619048 0.945946
118 XAH 0.617021 0.839506
119 AV2 0.616279 0.917808
120 AOC 0.615385 0.821918
121 48N 0.612245 0.896104
122 4UV 0.610526 0.894737
123 TXD 0.606061 0.907895
124 DND 0.606061 0.932432
125 NAX 0.606061 0.873418
126 6V0 0.606061 0.896104
127 NXX 0.606061 0.932432
128 NAI 0.606061 0.907895
129 5N5 0.605634 0.819444
130 5AS 0.604938 0.77907
131 A4P 0.60396 0.843373
132 DAT 0.60241 0.905405
133 A2R 0.602273 0.985915
134 OMR 0.6 0.851852
135 TXE 0.6 0.907895
136 GA7 0.597938 0.906667
137 4UU 0.597938 0.894737
138 A A 0.597826 0.944444
139 A4D 0.597222 0.819444
140 5CD 0.597222 0.805556
141 4TC 0.594059 0.896104
142 AP0 0.594059 0.896104
143 A3P 0.592593 0.971429
144 T5A 0.592233 0.841463
145 139 0.592233 0.873418
146 7D5 0.592105 0.878378
147 ATP A 0.589474 0.930556
148 ATP A A A 0.589474 0.930556
149 LAQ 0.585859 0.839506
150 MYR AMP 0.585106 0.817073
151 H1Q 0.583333 0.90411
152 F2R 0.580952 0.864198
153 YLP 0.58 0.819277
154 UPA 0.578431 0.907895
155 7DD 0.578313 0.985714
156 3AM 0.576923 0.929577
157 ADJ 0.576923 0.851852
158 NAD 0.575472 0.931507
159 COD 0.575472 0.811765
160 3AT 0.574713 0.971831
161 JB6 0.574468 0.883117
162 4UW 0.574257 0.860759
163 EP4 0.573333 0.753247
164 A2P 0.573171 0.957143
165 CNA 0.571429 0.932432
166 TYM 0.568627 0.906667
167 PPS 0.568182 0.873418
168 M2T 0.565789 0.734177
169 DTA 0.565789 0.786667
170 AR6 AR6 0.565657 0.917808
171 80F 0.564815 0.841463
172 A3D 0.564815 0.918919
173 3DH 0.564103 0.773333
174 G5A 0.563218 0.77907
175 YLB 0.563107 0.819277
176 YLC 0.563107 0.839506
177 AMP DBH 0.561224 0.893333
178 TYR AMP 0.561224 0.87013
179 MTA 0.558442 0.773333
180 DTP 0.556818 0.905405
181 AHZ 0.554455 0.817073
182 NA7 0.553191 0.958904
183 IOT 0.552381 0.831325
184 7MD 0.55 0.8625
185 ARG AMP 0.55 0.829268
186 ZAS 0.55 0.766234
187 IMO 0.548781 0.929577
188 YLA 0.54717 0.819277
189 NAE 0.544643 0.894737
190 TAD 0.544554 0.884615
191 A5A 0.544444 0.807229
192 2AM 0.544304 0.943662
193 TSB 0.543478 0.819277
194 6RE 0.54321 0.759494
195 6MZ 0.542169 0.930556
196 AYB 0.542056 0.809524
197 NAQ 0.539823 0.871795
198 V3L 0.539326 0.971831
199 SSA 0.538462 0.8
200 AF3 ADP 3PG 0.538462 0.8375
201 ZID 0.535088 0.918919
202 LPA AMP 0.533981 0.817073
203 VMS 0.532609 0.788235
204 52H 0.532609 0.77907
205 54H 0.532609 0.788235
206 BTX 0.53211 0.841463
207 A3N 0.53012 0.786667
208 J7C 0.53012 0.769231
209 5X8 0.528736 0.763158
210 BT5 0.527273 0.831325
211 8X1 0.526882 0.752809
212 53H 0.526882 0.77907
213 5CA 0.526882 0.8
214 ARU 0.526316 0.860759
215 EAD 0.525862 0.873418
216 RGT 0.525253 0.958904
217 OVE 0.52439 0.905405
218 S4M 0.52381 0.666667
219 7DT 0.522727 0.985714
220 DDS 0.522222 0.878378
221 GDP 0.522222 0.92
222 AVV 0.521277 0.896104
223 NDE 0.521008 0.932432
224 7MC 0.518868 0.841463
225 DSH 0.518072 0.725
226 MAO 0.517647 0.759036
227 DSZ 0.515789 0.8
228 LSS 0.515789 0.761364
229 NSS 0.515789 0.8
230 P5A 0.515464 0.744444
231 DZD 0.513514 0.884615
232 NVA LMS 0.510417 0.752809
233 9K8 0.510204 0.714286
234 12D 0.509615 0.785714
235 M24 0.508772 0.85
236 YLY 0.508772 0.809524
237 P1H 0.508333 0.851852
238 5AD 0.506849 0.746479
239 GJV 0.505882 0.75
240 LEU LMS 0.505155 0.752809
241 AMP NAD 0.504505 0.905405
242 G A A A 0.504505 0.871795
243 4TA 0.504505 0.807229
244 NAJ PZO 0.504425 0.848101
245 GSU 0.5 0.77907
246 128 0.5 0.776471
247 KAA 0.5 0.752809
248 A3G 0.5 0.8
249 NDC 0.5 0.871795
250 7D7 0.5 0.743243
251 71V 0.5 0.907895
252 N0B 0.495726 0.819277
253 NJP 0.495495 0.945946
254 ODP 0.495495 0.909091
255 2SA 0.494624 0.932432
256 6C6 0.494505 0.881579
257 SFG 0.494382 0.75
258 0WD 0.491071 0.921053
259 B1U 0.490196 0.736264
260 YSA 0.490196 0.77907
261 LQJ 0.490196 0.917808
262 PO4 PO4 A A A A PO4 0.489796 0.902778
263 SAM 0.48913 0.690476
264 6IA 0.48913 0.8375
265 A7D 0.488636 0.776316
266 6FA 0.488 0.841463
267 FB0 0.487805 0.804598
268 NAJ PYZ 0.487179 0.807229
269 J4G 0.484848 0.92
270 IDP 0.483516 0.918919
271 A5D 0.483516 0.786667
272 SA8 0.483516 0.707317
273 PGS 0.483146 0.883117
274 MHZ 0.483146 0.697674
275 NEC 0.482353 0.746667
276 DA 0.482353 0.878378
277 D5M 0.482353 0.878378
278 NIA 0.481928 0.822785
279 Y3J 0.480519 0.726027
280 8PZ 0.480392 0.8
281 FAS 0.480315 0.851852
282 FAD 0.480315 0.851852
283 FDA 0.48 0.833333
284 N6P 0.479592 0.915493
285 GGZ 0.479167 0.825
286 SAI 0.478261 0.734177
287 U A 0.478261 0.907895
288 SAH 0.478261 0.74359
289 A G 0.477876 0.883117
290 NPW 0.477477 0.886076
291 NDP 0.477477 0.921053
292 AAM 0.476744 0.971429
293 AMZ 0.47561 0.916667
294 C2R 0.47561 0.90411
295 A A A 0.474747 0.905405
296 U A G G 0.473684 0.883117
297 SMM 0.473684 0.686047
298 GTP 0.473684 0.92
299 NZQ 0.473214 0.909091
300 TXP 0.473214 0.921053
301 A3S 0.47191 0.810811
302 SFD 0.46875 0.734043
303 AIR 0.468354 0.901408
304 EEM 0.468085 0.690476
305 AAT 0.468085 0.707317
306 7C5 0.466667 0.818182
307 J7V 0.466667 0.833333
308 Z5A 0.466667 0.77907
309 62F 0.465649 0.8625
310 N5O 0.465116 0.763158
311 HDV 0.463158 0.893333
312 KOY 0.462963 0.802632
313 FAY 0.462121 0.8625
314 ETB 0.461538 0.833333
315 A3T 0.461538 0.821918
316 DCA 0.461538 0.823529
317 A6D 0.46 0.722892
318 A U 0.459459 0.87013
319 6K6 0.459184 0.930556
320 GEK 0.459184 0.7375
321 RFL 0.458647 0.821429
322 S7M 0.458333 0.690476
323 NAP 0.458333 0.945205
324 4YB 0.457944 0.761364
325 N5A 0.454545 0.736842
326 WSA 0.454545 0.788235
327 TAP 0.454545 0.907895
328 FNK 0.454545 0.804598
329 0T1 0.453782 0.823529
330 COA 0.453782 0.823529
331 101 0.453488 0.878378
332 XNP 0.452174 0.873418
333 NA0 0.45082 0.932432
334 7RP 0.448276 0.928571
335 GP3 0.446809 0.921053
336 TM1 0.446602 0.77381
337 APU 0.446429 0.894737
338 PUA 0.445378 0.884615
339 V1N 0.443396 0.917808
340 7RA 0.443182 0.957747
341 COS 0.442623 0.804598
342 30N 0.442623 0.752688
343 CAO 0.442623 0.795455
344 AMX 0.442623 0.833333
345 QQY 0.44186 0.815789
346 ACK 0.44186 0.861111
347 649 0.441441 0.744444
348 0UM 0.44 0.698795
349 NHD 0.439655 0.905405
350 SCO 0.439024 0.823529
351 CMX 0.439024 0.823529
352 GCP 0.438776 0.896104
353 8BR 0.438202 0.906667
354 8Q2 0.4375 0.772727
355 GNH 0.4375 0.907895
356 3AD 0.4375 0.805556
357 NVA 2AD 0.43617 0.759494
358 62X 0.435644 0.666667
359 FCX 0.435484 0.795455
360 ACO 0.435484 0.795455
361 FAM 0.435484 0.804598
362 9JJ 0.434783 0.8625
363 9GM 0.434343 0.896104
364 GNP 0.434343 0.896104
365 NMX 0.433071 0.76087
366 MGP 0.43299 0.884615
367 26A 0.432099 0.763158
368 HAX 0.432 0.804598
369 K15 0.431373 0.682353
370 9BG 0.431034 0.896104
371 1DG 0.430894 0.921053
372 DG1 0.430894 0.921053
373 QQX 0.430233 0.805195
374 2VA 0.430108 0.8
375 S8M 0.43 0.759494
376 2MC 0.429688 0.769231
377 6G0 0.428571 0.884615
378 3KK 0.428571 0.804598
379 FYN 0.428571 0.823529
380 A C A C 0.428571 0.848101
381 P5F 0.428571 0.823529
382 KGA 0.427481 0.744681
383 7L1 0.427419 0.795455
384 FAI 0.426966 0.916667
385 AS 0.426966 0.833333
386 RMB 0.426966 0.873239
387 KGJ 0.426357 0.752688
388 1RB 0.425287 0.885714
389 KGP 0.425197 0.729167
390 OXK 0.425197 0.804598
391 CA6 0.425197 0.729167
392 MCD 0.425197 0.804598
393 SOP 0.425197 0.804598
394 COK 0.425197 0.804598
395 YZS 0.425197 0.729167
396 G1R 0.424242 0.907895
397 CC5 0.423077 0.816901
398 SXZ 0.423077 0.710843
399 F2N 0.422535 0.813953
400 EO7 0.422222 0.788235
401 ANZ 0.422018 0.8
402 CMC 0.421875 0.804598
403 1VU 0.421875 0.795455
404 CO6 0.421875 0.804598
405 ZDA 0.421053 0.864865
406 GDD 0.420561 0.884615
407 GKE 0.420561 0.884615
408 GDC 0.420561 0.884615
409 NFD 0.420168 0.883117
410 D3Y 0.42 0.789474
411 GSP 0.42 0.873418
412 MC4 0.419847 0.76087
413 3D1 0.419753 0.773333
414 3L1 0.419753 0.773333
415 FA9 0.41958 0.864198
416 5GP 0.419355 0.906667
417 G 0.419355 0.906667
418 KB1 0.419048 0.698795
419 SCD 0.418605 0.823529
420 CAJ 0.418605 0.804598
421 2BA 0.417582 0.915493
422 CMP 0.417582 0.901408
423 KFV 0.416667 0.736842
424 VRT 0.416667 0.769231
425 SO8 0.416667 0.789474
426 N01 0.416667 0.905405
427 IVC 0.415385 0.813953
428 A1S 0.415385 0.804598
429 1HE 0.415385 0.786517
430 BCO 0.415385 0.804598
431 MLC 0.415385 0.804598
432 3HC 0.415385 0.813953
433 NMN AMP PO4 0.415254 0.87013
434 2FA 0.414634 0.813333
435 MGO 0.414141 0.860759
436 3NZ 0.413462 0.782051
437 LCV 0.412214 0.721649
438 MCA 0.412214 0.795455
439 SO5 0.412214 0.721649
440 CAA 0.412214 0.813953
441 YE1 0.412214 0.813953
442 COO 0.412214 0.804598
443 GAV 0.411765 0.884615
444 PRT 0.411215 0.931507
445 JLN 0.411111 0.890411
446 P2P 0.411111 0.902778
447 OZP 0.410714 0.728395
448 ZZB 0.410256 0.77381
449 YXR 0.409091 0.729167
450 RP1 0.409091 0.842105
451 SCA 0.409091 0.804598
452 YXS 0.409091 0.729167
453 103 0.409091 0.837838
454 SP1 0.409091 0.842105
455 2CP 0.409091 0.795455
456 PAX 0.408 0.829268
457 FAD NBT 0.407143 0.75
458 2KQ 0.406015 0.786517
459 HGG 0.406015 0.804598
460 CA8 0.406015 0.729167
461 IRC 0.406015 0.813953
462 COF 0.406015 0.786517
463 1GZ 0.406015 0.795455
464 COW 0.406015 0.795455
465 3CP 0.406015 0.804598
466 BYC 0.406015 0.804598
467 G2P 0.405941 0.884615
468 U A C C 0.404959 0.858974
469 SLU 0.404959 0.770115
470 RBZ 0.404494 0.849315
471 1CZ 0.404412 0.795455
472 COA FLC 0.403226 0.790698
473 BCA 0.402985 0.795455
474 FAQ 0.402985 0.804598
475 4CA 0.402985 0.795455
476 MTP 0.402439 0.730769
477 8OD 0.402062 0.945205
478 HZ2 0.401786 0.731707
479 CO7 0.401515 0.804598
480 GMV 0.4 0.896104
481 HXC 0.4 0.786517
482 G2R 0.4 0.884615
483 HF7 0.4 0.893333
484 ENQ 0.4 0.916667
485 GRA 0.4 0.804598
486 CNV FAD 0.4 0.8
Ligand no: 2; Ligand: NAD; Similar ligands found: 244
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 ADP MG 0.584906 0.957747
22 A2D 0.576923 0.958333
23 ADP 0.575472 0.931507
24 NGD 0.574803 0.922078
25 BA3 0.566038 0.958333
26 M33 0.564815 0.918919
27 ADP PO3 0.563636 0.957747
28 ATP MG 0.563636 0.957747
29 AP5 0.560748 0.958333
30 B4P 0.560748 0.958333
31 AT4 0.555556 0.894737
32 AN2 0.555556 0.918919
33 GAP 0.553571 0.932432
34 OOB 0.551724 0.972222
35 CA0 0.550459 0.932432
36 9JJ 0.546053 0.898734
37 ACP 0.545455 0.906667
38 HEJ 0.545455 0.931507
39 KG4 0.545455 0.932432
40 ATP 0.545455 0.931507
41 DQV 0.544 0.972222
42 ALF ADP 0.54386 0.883117
43 ADP ALF 0.54386 0.883117
44 DAL AMP 0.543103 0.945205
45 8LQ 0.543103 0.92
46 AQP 0.540541 0.931507
47 AR6 0.540541 0.931507
48 5FA 0.540541 0.931507
49 APR 0.540541 0.931507
50 VO4 ADP 0.53913 0.945205
51 ADP VO4 0.53913 0.945205
52 AGS 0.535714 0.883117
53 AD9 0.535714 0.906667
54 SAP 0.535714 0.883117
55 WAQ 0.533333 0.896104
56 ABM 0.53271 0.905405
57 45A 0.53271 0.905405
58 00A 0.529412 0.921053
59 DLL 0.529412 0.972222
60 ACQ 0.526316 0.906667
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 OAD 0.525 0.932432
64 ADX 0.522523 0.839506
65 8LE 0.521739 0.907895
66 5AL 0.521739 0.945205
67 A1R 0.521008 0.871795
68 9SN 0.520325 0.909091
69 AMP 0.518868 0.930556
70 A 0.518868 0.930556
71 50T 0.517857 0.893333
72 ATF 0.517241 0.894737
73 3OD 0.516393 0.932432
74 1ZZ 0.516393 0.851852
75 SON 0.513514 0.92
76 PRX 0.513274 0.881579
77 SRP 0.512821 0.92
78 8LH 0.512821 0.92
79 6YZ 0.512821 0.906667
80 ADP BMA 0.512397 0.932432
81 9X8 0.512397 0.883117
82 3UK 0.512397 0.958904
83 MYR AMP 0.512195 0.851852
84 NAJ PZO 0.510949 0.909091
85 NMN 0.509434 0.875
86 HQG 0.508475 0.918919
87 A3R 0.508333 0.871795
88 B5V 0.508197 0.945946
89 AMP DBH 0.507937 0.906667
90 A22 0.504202 0.945205
91 ATP A A A 0.504 0.971831
92 B5M 0.504 0.933333
93 FA5 0.504 0.945946
94 ATP A 0.504 0.971831
95 8QN 0.5 0.945205
96 NAX 0.496183 0.886076
97 TYR AMP 0.496063 0.933333
98 PR8 0.495935 0.8625
99 ADQ 0.495868 0.932432
100 PAJ 0.495868 0.873418
101 4AD 0.495868 0.933333
102 AMO 0.495868 0.92
103 APC MG 0.495652 0.931507
104 AP2 0.495495 0.894737
105 A12 0.495495 0.894737
106 AHZ 0.492308 0.851852
107 YAP 0.492063 0.933333
108 FYA 0.491935 0.918919
109 AHX 0.491803 0.884615
110 4UU 0.488372 0.933333
111 5SV 0.487603 0.8375
112 T99 0.487179 0.894737
113 TAT 0.487179 0.894737
114 APC 0.486957 0.894737
115 SRA 0.486239 0.881579
116 NAI 0.484848 0.921053
117 6V0 0.484848 0.909091
118 GTA 0.484615 0.898734
119 LAD 0.483871 0.873418
120 A A 0.483871 0.958333
121 AU1 0.482456 0.906667
122 F2R 0.481752 0.831325
123 TXE 0.481203 0.921053
124 AF3 ADP 3PG 0.481203 0.873418
125 OMR 0.481203 0.841463
126 LAQ 0.480916 0.851852
127 G3A 0.48062 0.909091
128 B5Y 0.480315 0.933333
129 TXA 0.48 0.92
130 BIS 0.48 0.871795
131 NB8 0.48 0.884615
132 ME8 0.48 0.851852
133 PTJ 0.48 0.884615
134 139 0.477941 0.886076
135 LPA AMP 0.477273 0.851852
136 ARG AMP 0.476923 0.841463
137 AR6 AR6 0.476923 0.958333
138 G5P 0.476923 0.909091
139 AFH 0.476923 0.873418
140 25L 0.47619 0.945205
141 NAJ PYZ 0.475524 0.864198
142 25A 0.47541 0.958333
143 9ZA 0.47541 0.896104
144 9ZD 0.47541 0.896104
145 OZV 0.47541 0.931507
146 DZD 0.47482 0.897436
147 TXD 0.473684 0.921053
148 4UV 0.472868 0.933333
149 TYM 0.470149 0.945946
150 ADV 0.470085 0.894737
151 RBY 0.470085 0.894737
152 4TA 0.467626 0.864198
153 48N 0.466165 0.884615
154 XAH 0.465116 0.851852
155 4UW 0.462687 0.897436
156 M24 0.461538 0.886076
157 80F 0.460993 0.853659
158 IOT 0.459854 0.821429
159 T5A 0.456522 0.853659
160 EAD 0.455782 0.886076
161 MAP 0.455285 0.883117
162 GA7 0.454545 0.894737
163 BT5 0.453901 0.821429
164 A4P 0.452555 0.833333
165 UP5 0.451852 0.933333
166 PAP 0.445378 0.917808
167 4TC 0.445255 0.909091
168 AP0 0.445255 0.884615
169 YLP 0.444444 0.831325
170 P1H 0.443709 0.864198
171 AOC 0.442478 0.810811
172 Z5A 0.439189 0.833333
173 LMS 0.4375 0.817073
174 2A5 0.436975 0.857143
175 A G 0.43662 0.921053
176 COD 0.43662 0.802326
177 G A A A 0.43662 0.909091
178 ADJ 0.435714 0.841463
179 YLB 0.434783 0.831325
180 YLC 0.434783 0.851852
181 U A G G 0.433566 0.921053
182 ATR 0.433333 0.90411
183 7MD 0.432836 0.851852
184 8X1 0.432 0.764045
185 G5A 0.429752 0.790698
186 PO4 PO4 A A A A PO4 0.429688 0.943662
187 TAD 0.42963 0.873418
188 5AS 0.42735 0.770115
189 BTX 0.426573 0.831325
190 YLA 0.425532 0.831325
191 DSZ 0.425197 0.790698
192 NCN 0.424779 0.805556
193 UPA 0.42446 0.921053
194 8PZ 0.424242 0.811765
195 VMS 0.424 0.8
196 54H 0.424 0.8
197 9K8 0.423077 0.744444
198 N0B 0.422819 0.853659
199 6AD 0.422764 0.85
200 AYB 0.422535 0.821429
201 7D3 0.422414 0.844156
202 YLY 0.421769 0.821429
203 TSB 0.420635 0.809524
204 ODP 0.41958 0.922078
205 AV2 0.419355 0.855263
206 A5A 0.419355 0.819277
207 FB0 0.419355 0.775281
208 NNR 0.419048 0.739726
209 A A A 0.418605 0.918919
210 U A 0.417808 0.946667
211 649 0.417266 0.775281
212 NMN AMP PO4 0.416667 0.933333
213 H1Q 0.416667 0.917808
214 SSA 0.416 0.790698
215 P5A 0.415385 0.755556
216 LSS 0.414062 0.772727
217 A2R 0.412698 0.918919
218 52H 0.412698 0.790698
219 JB6 0.412214 0.896104
220 5N5 0.411215 0.783784
221 YSA 0.410448 0.811765
222 B1U 0.410448 0.786517
223 53H 0.409449 0.790698
224 5CA 0.409449 0.790698
225 ITT 0.408333 0.878378
226 7D4 0.408333 0.844156
227 NA7 0.407692 0.894737
228 LEU LMS 0.407692 0.784091
229 5CD 0.407407 0.794521
230 0WD 0.406897 0.909091
231 A3P 0.40678 0.930556
232 JSQ 0.406504 0.883117
233 HFD 0.406504 0.883117
234 AVV 0.40625 0.860759
235 RAB 0.40566 0.808219
236 ADN 0.40566 0.808219
237 XYA 0.40566 0.808219
238 FDA 0.405063 0.823529
239 GSU 0.40458 0.790698
240 7MC 0.404255 0.831325
241 NSS 0.403101 0.811765
242 6FA 0.402516 0.853659
243 NVA LMS 0.4 0.784091
244 PPS 0.4 0.817073
Ligand no: 3; Ligand: TNG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TNG 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 5l13.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 3HAZ NAD 38.6847
4 3HAZ NAD 38.6847
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 4OE4 NAD 41.9729
8 6O4C NAD 43.4698
9 6O4C NAD 43.4698
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 3EFV NAD 45.0216
13 3EFV NAD 45.0216
14 3EFV NAD 45.0216
15 3EFV NAD 45.0216
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 1KY8 NAP 46.1078
19 4YWV SSN 46.6667
20 4YWV SSN 46.6667
21 4YWV SSN 46.6667
22 4YWV SSN 46.6667
23 3VZ3 SSN 48.14
24 3VZ3 SSN 48.14
25 3VZ3 NAP 48.14
26 3VZ3 NAP 48.14
27 2QE0 NAP 49.4737
28 2QE0 NAP 49.4737
29 2QE0 NAP 49.4737
Pocket No.: 2; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 5l13.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 3HAZ NAD 38.6847
4 3HAZ NAD 38.6847
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 4OE4 NAD 41.9729
8 6O4C NAD 43.4698
9 6O4C NAD 43.4698
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 3EFV NAD 45.0216
13 3EFV NAD 45.0216
14 3EFV NAD 45.0216
15 3EFV NAD 45.0216
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 4YWV SSN 46.6667
19 4YWV SSN 46.6667
20 4YWV SSN 46.6667
21 3VZ3 SSN 48.14
22 3VZ3 NAP 48.14
23 3VZ3 SSN 48.14
24 3VZ3 NAP 48.14
25 2QE0 NAP 49.4737
Pocket No.: 3; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 5l13.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 3HAZ NAD 38.6847
4 3HAZ NAD 38.6847
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 4OE4 NAD 41.9729
8 6O4C NAD 43.4698
9 6O4C NAD 43.4698
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 3EFV NAD 45.0216
13 3EFV NAD 45.0216
14 3EFV NAD 45.0216
15 3EFV NAD 45.0216
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 4YWV SSN 46.6667
19 4YWV SSN 46.6667
20 4YWV SSN 46.6667
21 3VZ3 SSN 48.14
22 3VZ3 NAP 48.14
23 3VZ3 NAP 48.14
24 3VZ3 SSN 48.14
25 2QE0 NAP 49.4737
26 2QE0 NAP 49.4737
27 2QE0 NAP 49.4737
Pocket No.: 4; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 28
This union binding pocket(no: 4) in the query (biounit: 5l13.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 3HAZ NAD 38.6847
4 3HAZ NAD 38.6847
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 4OE4 NAD 41.9729
8 6O4C NAD 43.4698
9 6O4C NAD 43.4698
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 3EFV NAD 45.0216
13 3EFV NAD 45.0216
14 3EFV NAD 45.0216
15 3EFV NAD 45.0216
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 4YWV SSN 46.6667
19 4YWV SSN 46.6667
20 4YWV SSN 46.6667
21 4YWV SSN 46.6667
22 3VZ3 SSN 48.14
23 3VZ3 SSN 48.14
24 3VZ3 NAP 48.14
25 3VZ3 NAP 48.14
26 2QE0 NAP 49.4737
27 2QE0 NAP 49.4737
28 2QE0 NAP 49.4737
Pocket No.: 5; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 33
This union binding pocket(no: 5) in the query (biounit: 5l13.bio2) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 6D97 NAD 30.1741
4 6D97 NAD 30.1741
5 3HAZ NAD 38.6847
6 3HAZ NAD 38.6847
7 5KF6 NAD 41.5861
8 5KF6 NAD 41.5861
9 5KF6 NAD 41.5861
10 5KF6 NAD 41.5861
11 4OE4 NAD 41.9729
12 6O4C NAD 43.4698
13 6O4C NAD 43.4698
14 6O4C NAD 43.4698
15 6O4C NAD 43.4698
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 3EFV NAD 45.0216
19 3EFV NAD 45.0216
20 3EFV NAD 45.0216
21 3EFV NAD 45.0216
22 4YWV SSN 46.6667
23 4YWV SSN 46.6667
24 4YWV SSN 46.6667
25 4YWV SSN 46.6667
26 3VZ3 SSN 48.14
27 3VZ3 SSN 48.14
28 3VZ3 NAP 48.14
29 3VZ3 NAP 48.14
30 2BJK NAD 48.6434
31 2BJK NAD 48.6434
32 2QE0 NAP 49.4737
33 2QE0 NAP 49.4737
Pocket No.: 6; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 38
This union binding pocket(no: 6) in the query (biounit: 5l13.bio2) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 6D97 NAD 30.1741
4 4NS3 NAD 35.5899
5 3HAZ NAD 38.6847
6 3HAZ NAD 38.6847
7 5KF6 NAD 41.5861
8 5KF6 NAD 41.5861
9 5KF6 NAD 41.5861
10 5KF6 NAD 41.5861
11 4OE4 NAD 41.9729
12 6O4C NAD 43.4698
13 6O4C NAD 43.4698
14 6O4C NAD 43.4698
15 6O4C NAD 43.4698
16 6O4C NAD 43.4698
17 6O4C NAD 43.4698
18 6O4C NAD 43.4698
19 6O4C NAD 43.4698
20 3EFV NAD 45.0216
21 3EFV NAD 45.0216
22 3EFV NAD 45.0216
23 3EFV NAD 45.0216
24 3EFV NAD 45.0216
25 3EFV NAD 45.0216
26 1KY8 NAP 46.1078
27 4YWV SSN 46.6667
28 4YWV SSN 46.6667
29 4YWV SSN 46.6667
30 3VZ3 SSN 48.14
31 3VZ3 SSN 48.14
32 3VZ3 NAP 48.14
33 3VZ3 NAP 48.14
34 2BJK NAD 48.6434
35 2BJK NAD 48.6434
36 2QE0 NAP 49.4737
37 2QE0 NAP 49.4737
38 2QE0 NAP 49.4737
Pocket No.: 7; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 37
This union binding pocket(no: 7) in the query (biounit: 5l13.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 6D97 NAD 30.1741
3 3HAZ NAD 38.6847
4 3HAZ NAD 38.6847
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 5KF6 NAD 41.5861
8 5KF6 NAD 41.5861
9 4OE4 NAD 41.9729
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 6O4C NAD 43.4698
13 6O4C NAD 43.4698
14 6O4C NAD 43.4698
15 6O4C NAD 43.4698
16 6O4C NAD 43.4698
17 6O4C NAD 43.4698
18 3EFV NAD 45.0216
19 3EFV NAD 45.0216
20 3EFV NAD 45.0216
21 3EFV NAD 45.0216
22 3EFV NAD 45.0216
23 3EFV NAD 45.0216
24 1KY8 NAP 46.1078
25 4YWV SSN 46.6667
26 4YWV SSN 46.6667
27 4YWV SSN 46.6667
28 4YWV SSN 46.6667
29 3VZ3 NAP 48.14
30 3VZ3 SSN 48.14
31 3VZ3 SSN 48.14
32 3VZ3 NAP 48.14
33 2BJK NAD 48.6434
34 2BJK NAD 48.6434
35 2QE0 NAP 49.4737
36 2QE0 NAP 49.4737
37 2QE0 NAP 49.4737
Pocket No.: 8; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 31
This union binding pocket(no: 8) in the query (biounit: 5l13.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 6D97 NAD 30.1741
2 3HAZ NAD 38.6847
3 3HAZ NAD 38.6847
4 5KF6 NAD 41.5861
5 5KF6 NAD 41.5861
6 5KF6 NAD 41.5861
7 5KF6 NAD 41.5861
8 4OE4 NAD 41.9729
9 6O4C NAD 43.4698
10 6O4C NAD 43.4698
11 6O4C NAD 43.4698
12 6O4C NAD 43.4698
13 6O4C NAD 43.4698
14 3EFV NAD 45.0216
15 3EFV NAD 45.0216
16 3EFV NAD 45.0216
17 3EFV NAD 45.0216
18 3EFV NAD 45.0216
19 3EFV NAD 45.0216
20 4YWV SSN 46.6667
21 4YWV SSN 46.6667
22 4YWV SSN 46.6667
23 3VZ3 SSN 48.14
24 3VZ3 SSN 48.14
25 3VZ3 NAP 48.14
26 3VZ3 NAP 48.14
27 2BJK NAD 48.6434
28 2BJK NAD 48.6434
29 2QE0 NAP 49.4737
30 2QE0 NAP 49.4737
31 2QE0 NAP 49.4737
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