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Receptor
PDB id Resolution Class Description Source Keywords
1DEH 2.2 Å EC: 1.1.1.1 CRYSTALLIZATION OF HUMAN BETA1 ALCOHOL DEHYDROGENASE (15 MG/ML) IN 50 MM SODIUM PHOSPHATE (PH 7.5), 2.0 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 OC, 13% (W/V) PEG 8000 HOMO SAPIENS NAD+ DEPENDENT ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: X-RAY STRUCTURE OF HUMAN BETA3BETA3 ALCOHOL DEHYDROGENASE. THE CONTRIBUTION OF IONIC INTERACTIONS TO COENZYME BINDING. J.BIOL.CHEM. V. 271 17057 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:601;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NAD B:377;
Valid;
none;
Kd = 1.9 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
NAD PYZ A:377;
Invalid;
none;
submit data n/a n/a n/a n/a
PYZ B:378;
Valid;
none;
submit data
193.974 C3 H3 I N2 c1c(c...
ZN A:375;
A:376;
B:375;
B:376;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U3U 1.6 Å EC: 1.1.1.1 CRYSTAL STRUCTURE OF HUMAN ALCOHOL DEHYDROGENASE BETA-1-BETA COMPLEXED WITH N-BENZYLFORMAMIDE DETERMINED TO 1.6 ANGSTROMR ESOLUTION HOMO SAPIENS OXIDOREDUCTASE
Ref.: STRUCTURE OF THREE CLASS I HUMAN ALCOHOL DEHYDROGEN COMPLEXED WITH ISOENZYME SPECIFIC FORMAMIDE INHIBIT BIOCHEMISTRY V. 43 12555 2004
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
2 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
3 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
6 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
9 1HDX - CXL C6 H12 O C1CCC(CC1)....
10 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
12 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
48 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
50 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
52 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
53 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
56 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
59 1HDX - CXL C6 H12 O C1CCC(CC1)....
60 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
62 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
48 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
50 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
52 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
53 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
56 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
59 1HDX - CXL C6 H12 O C1CCC(CC1)....
60 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
62 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1P0F - NAP C21 H28 N7 O17 P3 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
Ligand no: 2; Ligand: PYZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PYZ 1 1
2 JZ6 0.416667 0.909091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U3U; Ligand: BNF; Similar sites found with APoc: 674
This union binding pocket(no: 1) in the query (biounit: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 2CFC NAD 0.8
3 6DNT NAD 0.872093
4 4XYB NDP 1.06952
5 2NAD NAD 1.06952
6 1DLJ UGA 1.3369
7 1DLJ NAI 1.3369
8 5U5G NAP 1.35593
9 5YU3 NAD 1.45349
10 5YU3 PRO 1.45349
11 2FB3 MET 1.47059
12 2FB3 5AD 1.47059
13 2X2M X2M 1.59236
14 4ZGS NAD 1.60428
15 4R5M NAP 1.60428
16 4HXY NDP 1.60428
17 4R5M 4NO 1.60428
18 2O4C NAD 1.60428
19 5YAP NAI 1.60428
20 2GVC FAD 1.60428
21 2GV8 NDP 1.60428
22 5YAP 8S0 1.60428
23 1VQW FAD 1.60428
24 2GV8 FAD 1.60428
25 1O5I NAD 1.60643
26 1SC3 MLI 1.68539
27 2HJR APR 1.82927
28 5T9E NAP 1.84502
29 4ITU NAI 1.85874
30 4CNK MEU 1.87166
31 2FR1 NDP 1.87166
32 6EL3 NAP 1.87166
33 4UZI IMD 1.87166
34 1A5Z NAD 1.88088
35 2V6G NAP 1.92308
36 2AE2 PTO 1.92308
37 2AE2 NAP 1.92308
38 4D3F NAP 1.93548
39 3A28 NAD 1.93798
40 4OM8 NAD 1.94175
41 3WBF NAP 1.96721
42 3WBF API 1.96721
43 1BXK NAD 1.97183
44 4MP8 NAD 2.0649
45 4MP8 MLI 2.0649
46 1CF2 NAP 2.07715
47 1J49 NAD 2.1021
48 1ZQ9 SAM 2.10526
49 2ZJ1 NAD 2.13904
50 2ZJ1 ARJ 2.13904
51 5KOD IAC 2.13904
52 5DNC ASN 2.13904
53 6AM8 TRP 2.13904
54 4TQG NDP 2.16718
55 1VM6 NAD 2.19298
56 1LTH NAD 2.19436
57 2QZZ NAP 2.20126
58 2QZZ EMF 2.20126
59 5T9F TYR 2.21402
60 5T9F NAP 2.21402
61 3QWI NAP 2.22222
62 2DVZ GLU 2.2293
63 3LRE ADP 2.25352
64 1GUZ NAD 2.25806
65 1HYH NAD 2.26537
66 2DTX BMA 2.27273
67 4JK3 NAD 2.3166
68 4J4H 1J1 2.3166
69 4J4H NAI 2.3166
70 1W8D NAP 2.31788
71 1W73 NAP 2.31788
72 3KLJ FAD 2.33766
73 5OVK NDP 2.34375
74 3ITJ CIT 2.36686
75 3SJ7 NDP 2.38095
76 4KOA NDP 2.4024
77 2Q1W NAD 2.4024
78 5ZZ6 NAD 2.40385
79 5ZZ6 ADP 2.40385
80 1KJ8 GAR 2.40642
81 1PJS NAD 2.40642
82 1VJT NAD 2.40642
83 5E4R NAP 2.40642
84 4K5S FAD 2.40642
85 1P31 EPU 2.40642
86 4AGS GSH 2.40642
87 1UWK URO 2.40642
88 1UWK NAD 2.40642
89 3M6W SAM 2.40642
90 4M3P HCS 2.40642
91 1PGP 6PG 2.40642
92 3CGD FAD 2.40642
93 5O2N FLC 2.40642
94 3CGD COA 2.40642
95 3CGD NAD 2.40642
96 1TB4 PEJ 2.42588
97 1N5D NDP 2.43056
98 5G4L NDP 2.44755
99 1EDO NAP 2.45902
100 3FZG SAM 2.5
101 3SJU NDP 2.50896
102 3OA2 NAD 2.51572
103 5KKA 6V0 2.5641
104 3O9Z NAD 2.5641
105 3O9Z AKG 2.5641
106 1UXG FUM 2.589
107 1UXG NAD 2.589
108 5Z20 NAI 2.6087
109 2GDZ NAD 2.62172
110 4XDZ NDP 2.62391
111 1R18 SAH 2.64317
112 1ZH8 NAP 2.64706
113 5A04 BGC 2.65487
114 5A04 NDP 2.65487
115 1VI2 NAD 2.66667
116 5N6C NAD 2.66667
117 1RM4 NDP 2.67062
118 5EPO NAP 2.67176
119 3ICS ADP 2.6738
120 3ICT ADP 2.6738
121 5XVH NAP 2.6738
122 4XZ3 COA 2.6738
123 3B20 NAD 2.6738
124 2D2I NAP 2.6738
125 3GD4 NAD 2.6738
126 3FWN ATR 2.6738
127 3A06 NDP 2.6738
128 6C4M NAP 2.6738
129 1K1Y MAL 2.6738
130 1RM0 D6P 2.6738
131 2JHP SAH 2.6738
132 1RM0 NAI 2.6738
133 4EDF UPG 2.6738
134 4PIV NDP 2.6738
135 3L4S NAD 2.67857
136 3L4S 3PG 2.67857
137 5AHO TLA 2.67857
138 5OJL TXP 2.68456
139 3KB6 NAD 2.69461
140 2X61 CH 2.71318
141 4YCA NDP 2.72109
142 5Z75 NAD 2.75229
143 1SAY PYR 2.77008
144 1NPD NAD 2.77778
145 1L1E SAH 2.78746
146 2JL1 NAP 2.78746
147 1EBF NAD 2.7933
148 5VEG FMN 2.80899
149 1F06 NDP 2.8125
150 1F06 2NP 2.8125
151 3GEG NAD 2.83401
152 1X7D ORN 2.85714
153 1X7D NAD 2.85714
154 5GWT NAD 2.8777
155 5GWT SIN 2.8777
156 2B4Q NAP 2.89855
157 4JJF FE9 2.90698
158 4JJF N2I 2.90698
159 1Y1P NMN AMP PO4 2.92398
160 1F8G NAD 2.94118
161 1PS9 NAP 2.94118
162 3LJU IP9 2.94118
163 1UP7 NAD 2.94118
164 2NPX NAD 2.94118
165 3L9W AMP 2.94118
166 5GSN NAP 2.94118
167 2RGJ FAD 2.94118
168 6AIN FAD 2.94118
169 5GSN FAD 2.94118
170 3L9W GSH 2.94118
171 3V1U NAD 2.94118
172 5X68 FAD 2.94118
173 4J36 1HR 2.94118
174 4J36 FAD 2.94118
175 1YJQ NAP 2.9703
176 5LOG SAH 3.00429
177 2GZ3 NAP 3.00546
178 4XYM COA 3.04348
179 1K3T BRZ 3.06407
180 1TE2 PGA 3.09735
181 4MDB RLT 3.11111
182 3TN7 NJP 3.11284
183 3C1O NAP 3.11526
184 1LUA NAP 3.13589
185 2GN4 UD1 3.19767
186 1GQ2 NAP 3.20856
187 5CAE COA 3.20856
188 6C4T NA7 3.20856
189 4YT4 FE9 3.20856
190 4XQC NAD 3.20856
191 2IXB NAD 3.20856
192 1LJ8 NAD 3.20856
193 2GSD NAD 3.20856
194 4XQC 13D 3.20856
195 1M2W NAD 3.20856
196 1L7E NAI 3.20856
197 2IXB A2G 3.20856
198 1QMG APX 3.20856
199 5CAE SIN 3.20856
200 5VN0 NAI 3.20856
201 4KRI SAH 3.20856
202 5A96 GTP 3.21285
203 1VMK GUN 3.2491
204 3NGL NAP 3.26087
205 1GR0 NAD 3.26975
206 2HK9 ATR 3.27273
207 2HK9 NAP 3.27273
208 5CG1 NAD BBN 3.27869
209 6AA8 NAD 3.31126
210 1CER NAD 3.32326
211 2HNK SAH 3.34728
212 5D4V SAH 3.35821
213 5Y8L HUI 3.38983
214 5Y8L NAD 3.38983
215 2YGM GLA NAG GAL FUC 3.38983
216 5K4W NAI 3.42679
217 5K4W THR 3.42679
218 2CUL FAD 3.44828
219 1ORR NAD 3.45821
220 1NE7 AGP 3.46021
221 2ZAT NAP 3.46154
222 6F3M NAD 3.47594
223 6F3N ADN 3.47594
224 6F3N NAD 3.47594
225 1CZA G6P 3.47594
226 6A3J NAI 3.47594
227 1D6Z HY1 3.47594
228 3PT9 SAH 3.47594
229 5ZI2 NAD 3.47826
230 5ZI2 ADP 3.47826
231 3ICC NAP 3.52941
232 4E13 NAD 3.53357
233 2C29 NAP 3.56083
234 4INW 1EY 3.57143
235 1Z82 NDP 3.58209
236 2GLX NDP 3.61446
237 5LD5 NAD 3.63128
238 1HKU NAD 3.63128
239 1B8U NAD 3.64742
240 1B8U OAA 3.64742
241 5O42 BGC 3.64964
242 5O42 9JW 3.64964
243 5O42 NAD 3.64964
244 3ISO GSH 3.66972
245 3H5N ATP 3.68272
246 1XHL NDP 3.7037
247 1OBB NAD 3.74332
248 5Y77 FAD 3.74332
249 4XWT U5P 3.74332
250 1VKO NAD 3.74332
251 1H6C NDP 3.74332
252 5J5Z FAD 3.74332
253 5TUK FAD 3.74332
254 5WP5 SAH 3.74332
255 1V9A SAH 3.76569
256 1JAY NAP 3.77358
257 1H5Q NAP 3.77358
258 1XHC FAD 3.81471
259 1NVT NAP 3.83275
260 3AB1 FAD 3.88889
261 3DAG FEG 3.91061
262 3WMX NAD 3.91061
263 5U5N NAD 3.94265
264 5BSH PRO 3.97112
265 4TSK NDP 4
266 1E5Q NDP 4.01069
267 1SC6 NAD 4.01069
268 1U8X NAD 4.01069
269 2Y6Q FAD 4.01069
270 2YIV YIV 4.01069
271 4XFR CIT 4.01069
272 1GY8 NAD 4.01069
273 1Z45 NAD 4.01069
274 5O4J 9KH 4.0146
275 5O4J SAH 4.0146
276 5O4J PJL 4.0146
277 1T26 GBD 4.03727
278 1T26 NAI 4.03727
279 5GM1 SAH 4.0404
280 2BD0 NAP 4.09836
281 5O98 NAP 4.10095
282 5N53 8NB 4.10256
283 3G4Q MCH 4.10959
284 5W3K 9TY 4.11765
285 5W3K NDP 4.11765
286 3LU1 NAD 4.12088
287 5Z21 NAI 4.18994
288 1GV0 NAD 4.19355
289 4D06 NAR 4.24028
290 2GCG NDP 4.24242
291 2GCG DGY 4.24242
292 5KVS NAP 4.27807
293 2YVF NAD 4.27807
294 2YVF FAD 4.27807
295 5KVS 6XR 4.27807
296 4KVL PLM 4.27807
297 1FK8 NAD 4.28016
298 2DKN NAI 4.31373
299 2RH4 EMO 4.33213
300 1JA9 NDP 4.37956
301 1EZ4 NAD 4.40252
302 1VL0 NAI 4.45205
303 3D3W NAP 4.5082
304 1PR9 NAP 4.5082
305 4RDH AMP 4.51389
306 4RDI ATP 4.51389
307 1J0X NAD 4.51807
308 4A0S NAP 4.54545
309 1LVL NAD 4.54545
310 2I3G NAP 4.54545
311 2XVF FAD 4.54545
312 3SSO SAH 4.54545
313 3P9T TCL 4.56621
314 5JWC FAD 4.60653
315 5UAV NDP 4.65839
316 5UAV TFB 4.65839
317 5KVA SAM 4.67626
318 3LCC SAH 4.68085
319 2PV7 NAD 4.69799
320 5N2I NAP 4.74138
321 2Q46 NAP 4.74308
322 1DRV A3D 4.7619
323 4NBU NAI 4.8
324 1DSS NAD 4.8048
325 5W7K SAH 4.80769
326 1X87 NAD 4.81283
327 1Y8Q ATP 4.81283
328 1U1I NAD 4.81283
329 5U8U FAD 4.81283
330 6A0S NDP 4.81283
331 6A0S HSE 4.81283
332 1YKJ FAD 4.81283
333 1YKJ PHB 4.81283
334 5EES NAP 4.8583
335 5UR0 NAD 4.87106
336 1SOW NAD 4.87805
337 3H9E NAD 4.91329
338 3GDH SAH 4.97925
339 4DPL NAP 5.01393
340 1XG5 NAP 5.01792
341 3WV8 ATP 5.04587
342 1BDB NAD 5.05415
343 4D79 ATP 5.07246
344 4TQK NAG 5.08021
345 4UP3 NDP 5.09554
346 2CVZ NDP 5.19031
347 3AY6 NAI 5.20446
348 2RHO GDP 5.23077
349 2YYY NAP 5.24781
350 5X9D 80F 5.26316
351 1W6U NAP 5.29801
352 4CQM NAP 5.32787
353 2IZ1 ATR 5.34759
354 1MV8 NAD 5.34759
355 1MUU NAD 5.34759
356 1GZ4 ATP 5.34759
357 2VHW NAI 5.34759
358 2QA1 FAD 5.34759
359 5GUD 2IT 5.34759
360 3ETG NDP 5.34759
361 3ETG GLU 5.34759
362 5GUD NDP 5.34759
363 5DNK SAH 5.34759
364 1V6A TRE 5.42169
365 5NUF NAD 5.42169
366 5NUE NAD 5.42169
367 3O5X JZG 5.43478
368 4NBW NAD 5.44747
369 1LDM NAD 5.47112
370 2YN4 39J 5.50847
371 4RF2 NAP 5.51471
372 1WP4 NDP 5.53633
373 1QH9 LAC 5.60345
374 5YF9 NIO 5.60472
375 1O6Z NAD 5.61056
376 4B4U NAP 5.61056
377 2CDU ADP 5.61497
378 1WDK NAD 5.61497
379 3NJ4 AFX 5.61497
380 3NJ4 NAD 5.61497
381 4TXI FAD 5.61497
382 2BRY FAD 5.61497
383 5TUF FAD 5.61497
384 2AWN ADP 5.61497
385 6F7L FAD 5.61497
386 2CDU FAD 5.61497
387 4L8V NAP 5.63798
388 3OIG NAD 5.6391
389 4CJX NAP 5.64263
390 6CEP NAD 5.68862
391 6CEP OXM 5.68862
392 3CMC NAD 5.68862
393 3BAZ NAP 5.70571
394 2AK3 AMP 5.75221
395 5N5D SAM 5.75221
396 5DN9 NAD 5.76923
397 3EGI ADP 5.82524
398 3UWB BB2 5.84416
399 5YEC ATP 5.88235
400 3T7S SAM 5.88235
401 4OOE FOM 5.88235
402 4OOE NDP 5.88235
403 5G3U FDA 5.88235
404 1NYT NAP 5.90406
405 1RP0 AHZ 5.98592
406 5TC4 NAD 6.01266
407 9LDT NAD 6.0241
408 9LDB NAD 6.0241
409 3G89 SAM 6.0241
410 3ABI NAD 6.0274
411 5GT9 NAP 6.08365
412 5X20 NAD 6.08974
413 4RL4 PPV 6.13208
414 1HDR NAD 6.14754
415 6FHO FAD 6.14973
416 3H8V ATP 6.16438
417 3O03 NAP 6.18557
418 4IF4 BEF 6.25
419 1GZ6 NAI 6.26959
420 4ZVV GN0 6.3253
421 4ZVV NAD 6.3253
422 3LZW FAD 6.3253
423 2VYN NAD 6.34441
424 1GAD NAD 6.36364
425 1IY8 NAD 6.36704
426 2ZSC BTN 6.38298
427 1HYE NAP 6.38978
428 3CIF NAD 6.40669
429 3CIF G3H 6.40669
430 5M67 ADE 6.41711
431 5M67 NAD 6.41711
432 5M67 3D1 6.41711
433 3M89 GSP 6.41711
434 2YVJ NAI 6.42202
435 5L95 AMP 6.45161
436 4OSP NAP 6.46388
437 3CBG SAH 6.46552
438 3HAD NAD 6.49351
439 3V1Y NAD 6.52819
440 4Y9D NAI 6.55738
441 1N1G BCP 6.55738
442 4BVA NDP 6.56716
443 4BVA T3 6.56716
444 5MTE BB2 6.56934
445 1YRX FMN 6.61157
446 1P77 ATR 6.61765
447 2B4R NAD 6.66667
448 2B4R AES 6.66667
449 3IHG FAD 6.68449
450 4J1Q NDP 6.68449
451 1BXG NAD 6.74157
452 1BW9 NAD 6.74157
453 5A1T NAI 6.74487
454 5A1T OXM 6.74487
455 1C1X NAD 6.76056
456 1KUJ MMA 6.76692
457 3ORF NAD 6.77291
458 1O5O U5P 6.78733
459 2F1K NAP 6.81004
460 1OMO NAD 6.8323
461 2WA2 SAM 6.88406
462 3B1F NAD 6.89655
463 1KYQ NAD 6.93431
464 3JQA NAP 6.94444
465 3BMO NAP 6.94444
466 3BMQ NAP 6.94444
467 4CM8 NAP 6.94444
468 4CM4 NAP 6.94444
469 3JQF NAP 6.94444
470 4CMI NAP 6.94444
471 3JQ7 NAP 6.94444
472 3JQB NAP 6.94444
473 5JDI NAP 6.94444
474 3BMN NAP 6.94444
475 5JDC NAP 6.94444
476 4CLO NAP 6.94444
477 4CME NAP 6.94444
478 4CLR NAP 6.94444
479 5K6A NAP 6.94444
480 3JQG NAP 6.94444
481 5JCJ NAP 6.94444
482 5TOW ADN 6.95187
483 5TOW NAI 6.95187
484 1V8B NAD 6.95187
485 1X14 NAD 6.95187
486 3GMB FAD 6.95187
487 1RYD NDP 6.95187
488 2FKA BEF 6.97674
489 2CVQ NDP 7.03364
490 3RFV 15L 7.11611
491 4KQW NAP 7.14286
492 1WPQ NAD 7.16332
493 4MDH NAD 7.18563
494 5MDH NAD 7.20721
495 5NMX FAD 7.21925
496 2IVD FAD 7.21925
497 1HDG NAD 7.22892
498 1EQ2 NAP 7.41935
499 2WZM NA7 7.42049
500 5AYV NAP 7.44337
501 5AYV KPL 7.44337
502 1FWV SGA MAG FUC 7.46269
503 2WD7 NAP 7.46269
504 2G5C NAD 7.47331
505 1DJN ADP 7.48663
506 2ZB4 5OP 7.48663
507 2ZB4 NAP 7.48663
508 3S5W NAP 7.48663
509 3S5W FAD 7.48663
510 4PLT NAI 7.55287
511 4PLT OXM 7.55287
512 5OCM NAP 7.56014
513 1O94 ADP 7.57576
514 2DC1 NAD 7.62712
515 1YS4 NAP 7.62712
516 4URF NAD 7.66129
517 5GVR LMR 7.69231
518 2YX1 SFG 7.7381
519 2QRK AMP 7.75401
520 3DXY SAM 7.79817
521 3GGO ENO 7.96178
522 3GGO NAI 7.96178
523 5ZW3 SAH 8
524 3OND ADN 8.02139
525 3OND NAD 8.02139
526 1OCU PIB 8.02469
527 3Q3C NAD 8.02676
528 1P1C SAH 8.0402
529 5T2U NAP 8.06452
530 3GRU AMP 8.13559
531 5L4L NAP 8.22368
532 2NU8 COA 8.33333
533 2D5A COA 8.33333
534 1EJ0 SAM 8.33333
535 4Z0H NAD 8.38323
536 4CS9 AMP 8.46561
537 2WW4 ADP 8.48057
538 1NFQ NAI 8.55615
539 4NBT NAD 8.75
540 1WK8 VMS 8.76289
541 2QQF A1R 8.76623
542 4E5N NAD 8.78788
543 1DIG NAP 8.82353
544 3K5I AIR 8.82353
545 1DIG L37 8.82353
546 3OJO NAD 8.82353
547 1NM5 NAD 8.86699
548 4XDY NAI 8.87574
549 6CI9 NAP 8.88031
550 5AOV NAP 8.92857
551 3WXB NDP 8.96057
552 2DBZ NAP 8.98204
553 2Q0L NAP 9.00322
554 3ULK NDP 9.09091
555 5XNC MTA 9.16442
556 6BII NAP 9.30931
557 3VPH NAD 9.35484
558 3VPH OXM 9.35484
559 2DKH FAD 9.35829
560 4FN4 NAD 9.44882
561 4CT7 TRP 9.46502
562 1UAY ADN 9.50413
563 2AG8 NAP 9.5057
564 5AIP 4HP 9.58904
565 2EWM NAD 9.63855
566 5FEU NAP 9.89305
567 1ON3 DXX 9.89305
568 5JE8 NAD 9.93377
569 1U7T NAD 9.96169
570 3RC1 TLO 10
571 1I36 NAP 10.2273
572 2OOR NAD 10.3448
573 2B5W NAP 10.3641
574 3NUG NAD 10.5263
575 3WQQ NDP 10.6952
576 3WQQ IB3 10.6952
577 2A92 NAI 10.9034
578 1AE1 NAP 10.989
579 6F9Q NAD 11.0294
580 4YAC NAI 11.1111
581 4RVU NDP 11.4458
582 4EMI NAD 11.4634
583 4EUE NAI 11.4973
584 3O5N BR0 11.6071
585 4XB2 NDP 11.6418
586 4XB2 HSE 11.6418
587 1N9G NAP 11.7647
588 2NXE SAM 11.811
589 1J5P NAD 11.8577
590 1E3W NAD 11.8774
591 1E6W NAD 11.9231
592 4II2 ATP 12.0482
593 5Z2F NAP 12.0755
594 4WAS NAP 12.0879
595 4WAS COO 12.0879
596 1NVM NAD 12.1739
597 1O0S NAI 12.2995
598 2DT5 NAD 12.3223
599 2PK3 A2R 12.4611
600 2ZB3 NDP 12.4646
601 5W7M SAH 12.5
602 5THQ NDP 12.5
603 6C4N NAP 12.5668
604 3H0L ADP 12.766
605 2HMT NAI 13.1944
606 2BGM NAJ 13.3094
607 2JAH NDP 13.3603
608 2JAP NDP 13.3603
609 1V59 NAD 13.369
610 5MQ6 NDP 13.369
611 2H88 TEO 13.5922
612 1H5T TYD 13.6519
613 4O0L NDP 13.8182
614 2EV9 NAP 14.0684
615 2EV9 SKM 14.0684
616 3AD8 NAD 14.2857
617 5FFF NAP 14.3969
618 1ZEM NAD 14.5038
619 2J8Z NAP 14.6893
620 1C3V NDP 14.6939
621 5GZ6 NDP 14.7239
622 5GZ6 7C3 14.7239
623 5EIN NAP 14.8148
624 4YAG NAI 14.8789
625 4PLG OXM 14.9701
626 4PLG NAI 14.9701
627 1VL8 NAP 14.9813
628 5X2N ALA 15.1111
629 2YY7 NAD 15.3846
630 1PZG A3D 15.71
631 4P86 5GP 15.847
632 2CDC NAP 16.1202
633 2CDC XYP 16.1202
634 2CDC XYS 16.1202
635 5WQP NAP 16.2393
636 2AJH MET 16.3265
637 5DP2 NAP 16.3743
638 3Q9N COA 16.4557
639 2GAG NAD 16.6667
640 1LDN NAD 16.7722
641 1GEG NAD 16.7969
642 3FGZ BEF 17.1875
643 2VT3 ATP 18.1395
644 2AG5 NAD 19.1057
645 1L5Y BEF 19.3548
646 4B7X NAP 19.6429
647 2DM6 NAP 20.4204
648 2DM6 IMN 20.4204
649 5MSO NAP 21.123
650 5VKT NAP 22.3757
651 1GEE NAD 23.3716
652 5DOZ NDP 25.4438
653 3QV1 NAD 25.6098
654 1KOL NAD 25.6684
655 1LSS NAD 28.5714
656 3QWB NDP 29.0419
657 1KEV NDP 29.6296
658 3JYN NDP 30.4615
659 5KQA GSH 31.0606
660 1YQD NAP 33.3333
661 5FI3 NAP 33.8936
662 3B6Z CO7 35.5795
663 5H81 NAP 37.7005
664 1YB5 NAP 37.9679
665 3TWO NDP 39.0805
666 4IDC 1XX 39.1566
667 4IDC NDP 39.1566
668 4Y1B NAP 40.3743
669 1PL6 NAD 42.6966
670 1PL6 572 42.6966
671 1YKF NAP 43.4659
672 3B1J NAD 44
673 2DFV NAD 44.9568
674 3GFB NAD 45.7143
Pocket No.: 2; Query (leader) PDB : 1U3U; Ligand: NAD; Similar sites found with APoc: 674
This union binding pocket(no: 2) in the query (biounit: 1u3u.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 2CFC NAD 0.8
3 6DNT NAD 0.872093
4 4XYB NDP 1.06952
5 2NAD NAD 1.06952
6 1DLJ UGA 1.3369
7 1DLJ NAI 1.3369
8 5U5G NAP 1.35593
9 5YU3 NAD 1.45349
10 5YU3 PRO 1.45349
11 2FB3 MET 1.47059
12 2FB3 5AD 1.47059
13 2X2M X2M 1.59236
14 4ZGS NAD 1.60428
15 4R5M NAP 1.60428
16 4HXY NDP 1.60428
17 4R5M 4NO 1.60428
18 2O4C NAD 1.60428
19 5YAP NAI 1.60428
20 2GVC FAD 1.60428
21 2GV8 NDP 1.60428
22 5YAP 8S0 1.60428
23 1VQW FAD 1.60428
24 2GV8 FAD 1.60428
25 1O5I NAD 1.60643
26 1SC3 MLI 1.68539
27 2HJR APR 1.82927
28 5T9E NAP 1.84502
29 4ITU NAI 1.85874
30 4CNK MEU 1.87166
31 2FR1 NDP 1.87166
32 6EL3 NAP 1.87166
33 4UZI IMD 1.87166
34 1A5Z NAD 1.88088
35 2V6G NAP 1.92308
36 2AE2 PTO 1.92308
37 2AE2 NAP 1.92308
38 4D3F NAP 1.93548
39 3A28 NAD 1.93798
40 4OM8 NAD 1.94175
41 3WBF NAP 1.96721
42 3WBF API 1.96721
43 1BXK NAD 1.97183
44 4MP8 NAD 2.0649
45 4MP8 MLI 2.0649
46 1CF2 NAP 2.07715
47 1J49 NAD 2.1021
48 1ZQ9 SAM 2.10526
49 2ZJ1 NAD 2.13904
50 2ZJ1 ARJ 2.13904
51 5KOD IAC 2.13904
52 5DNC ASN 2.13904
53 6AM8 TRP 2.13904
54 4TQG NDP 2.16718
55 1VM6 NAD 2.19298
56 1LTH NAD 2.19436
57 2QZZ NAP 2.20126
58 2QZZ EMF 2.20126
59 5T9F TYR 2.21402
60 5T9F NAP 2.21402
61 3QWI NAP 2.22222
62 2DVZ GLU 2.2293
63 3LRE ADP 2.25352
64 1GUZ NAD 2.25806
65 1HYH NAD 2.26537
66 2DTX BMA 2.27273
67 4JK3 NAD 2.3166
68 4J4H 1J1 2.3166
69 4J4H NAI 2.3166
70 1W8D NAP 2.31788
71 1W73 NAP 2.31788
72 3KLJ FAD 2.33766
73 5OVK NDP 2.34375
74 3ITJ CIT 2.36686
75 3SJ7 NDP 2.38095
76 4KOA NDP 2.4024
77 2Q1W NAD 2.4024
78 5ZZ6 NAD 2.40385
79 5ZZ6 ADP 2.40385
80 1KJ8 GAR 2.40642
81 1PJS NAD 2.40642
82 1VJT NAD 2.40642
83 5E4R NAP 2.40642
84 4K5S FAD 2.40642
85 1P31 EPU 2.40642
86 4AGS GSH 2.40642
87 1UWK URO 2.40642
88 1UWK NAD 2.40642
89 3M6W SAM 2.40642
90 4M3P HCS 2.40642
91 1PGP 6PG 2.40642
92 3CGD FAD 2.40642
93 5O2N FLC 2.40642
94 3CGD COA 2.40642
95 3CGD NAD 2.40642
96 1TB4 PEJ 2.42588
97 1N5D NDP 2.43056
98 5G4L NDP 2.44755
99 1EDO NAP 2.45902
100 3FZG SAM 2.5
101 3SJU NDP 2.50896
102 3OA2 NAD 2.51572
103 5KKA 6V0 2.5641
104 3O9Z NAD 2.5641
105 3O9Z AKG 2.5641
106 1UXG FUM 2.589
107 1UXG NAD 2.589
108 5Z20 NAI 2.6087
109 2GDZ NAD 2.62172
110 4XDZ NDP 2.62391
111 1R18 SAH 2.64317
112 1ZH8 NAP 2.64706
113 5A04 BGC 2.65487
114 5A04 NDP 2.65487
115 1VI2 NAD 2.66667
116 5N6C NAD