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Receptor
PDB id Resolution Class Description Source Keywords
2E27 1.7 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FV FRAGMENT OF ANTI-CIGUATOXIN ANTIBODY WITH ABC-RING OF CIGUATOXIN MUS MUSCULUS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: CRITICAL CONTRIBUTION OF AROMATIC RINGS TO SPECIFIC RECOGNITION OF POLYETHER RINGS. THE CASE OF CIGUATO CTX3C-ABC AND ITS SPECIFIC ANTIBODY 1C49. J.BIOL.CHEM. V. 283 12259 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AB0 H:6001;
Valid;
none;
Ka = 2220000000 M^-1
344.357 C16 H24 O8 COCO[...
DMS H:7001;
L:7002;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
GOL H:5002;
H:5003;
H:5005;
L:5001;
L:5004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E27 1.7 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FV FRAGMENT OF ANTI-CIGUATOXIN ANTIBODY WITH ABC-RING OF CIGUATOXIN MUS MUSCULUS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: CRITICAL CONTRIBUTION OF AROMATIC RINGS TO SPECIFIC RECOGNITION OF POLYETHER RINGS. THE CASE OF CIGUATO CTX3C-ABC AND ITS SPECIFIC ANTIBODY 1C49. J.BIOL.CHEM. V. 283 12259 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AB0; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AB0 1 1
2 END 0.422222 0.704545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E27; Ligand: AB0; Similar sites found with APoc: 120
This union binding pocket(no: 1) in the query (biounit: 2e27.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2R0H CTO None
2 2ZMF CMP 1.68067
3 2HZQ STR 2.52101
4 1XIM XYL 2.52101
5 4WN5 MVC 2.6087
6 5UWA 8ND 3.1746
7 2XN3 ID8 3.36134
8 1O4T OXL 3.36134
9 2XN5 FUN 3.36134
10 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 3.36134
11 1QY1 PRZ 3.36134
12 5F3I 5UJ 3.96825
13 3E85 BSU 4.20168
14 2X34 UQ8 4.7619
15 2X32 OTP 4.7619
16 1IIU RTL 4.7619
17 5TPU TYD 4.7619
18 1DZK PRZ 4.7619
19 2WSA MYA 5.04202
20 2WSA 646 5.04202
21 5JSP DQY 5.04202
22 5DEY 59T 5.04202
23 1T27 PCW 5.04202
24 4O9S 2RY 5.04202
25 1XLI GLT 5.04202
26 5N87 N66 5.04202
27 4N14 WR7 5.55556
28 3ZXE PGZ 5.55556
29 5FQK 6NT 5.88235
30 2YNE NHW 5.88235
31 2YNE YNE 5.88235
32 4WVO 3UZ 5.88235
33 3BLI PYR 5.88235
34 1BHX ASP PHE GLU GLU ILE 6.66667
35 5VX5 FUC GAL NAG GAL BGC 6.72269
36 4YKI GLY 6.72269
37 1TT8 PHB 6.72269
38 5EZ1 ICB 6.72269
39 1EC9 XYH 6.72269
40 4B1L FRU 7.14286
41 1OIJ AKG 7.14286
42 1GT4 UNA 7.14286
43 5OO5 UUA 7.25806
44 5A5W GUO 7.56302
45 3U6W KIV 7.56302
46 3BJK CIT 7.56302
47 5LYH 7B8 7.56302
48 3GL0 HXX 7.56302
49 2P7Q GG6 7.56302
50 4NDO ATP 7.56302
51 4UWJ 7L5 7.93651
52 4UWJ MYA 7.93651
53 1ELI PYC 7.93651
54 5X30 HCS 7.93651
55 4WVW SLT 7.93651
56 5IXG OTP 7.93651
57 5YJS SAL 7.93651
58 6GW1 CHO 7.93651
59 5IH9 6BF 8.40336
60 3CF6 SP1 8.40336
61 5IXH OTP 8.40336
62 1TB3 FMN 8.40336
63 3H7J PPY 8.40336
64 4GJ3 0XP 8.73016
65 4BVA T3 8.73016
66 5ISY NAD 9.2437
67 5UR1 YY9 9.2437
68 2CDO GAL AAL GAL AAL GAL AAL 9.2437
69 1F9V ADP 9.2437
70 5XVG 8FX 9.2437
71 2ET1 GLV 9.2437
72 5IN3 G1P 9.52381
73 1SZ0 M6P 9.52381
74 1RJW ETF 10.084
75 1REQ DCA 10.084
76 3KFF ZBT 10.084
77 3KFF XBT 10.084
78 5TBM 79A 10.2564
79 4MNS 2AX 10.3175
80 5HZX 2GE 10.3175
81 3WG3 A2G GAL NAG FUC 10.3175
82 2WBV SIA 10.9244
83 4Y30 SAH 10.9244
84 5NTW 98N 11.1111
85 4H69 10Y 11.7647
86 6B5G CQY 11.7647
87 6B5G NAD 11.7647
88 5HA0 LTD 11.7647
89 2J9D AMP 11.7647
90 2J9C ATP 11.7647
91 4R3U 3KK 11.7647
92 4R3U 3HC 11.7647
93 5CLO NS8 11.8644
94 4B0T ADP 12.605
95 4ONA UW1 12.6984
96 2XIQ MLC 12.6984
97 2BOS GLA GAL 13.2353
98 1GQG DCD 13.4454
99 3MJY FMN 13.4454
100 3MJY IJZ 13.4454
101 3STK PLM 13.4921
102 2TPS TPS 14.2857
103 1CEB AMH 14.2857
104 4FG8 ATP 14.2857
105 5UMY TNN 14.2857
106 1UW1 ADP 15
107 1SR9 KIV 16.6667
108 3VKC FPQ 16.6667
109 5X7Q GLC GLC GLC GLC 16.6667
110 5X7Q GLC GLC GLC GLC GLC 16.6667
111 2YG2 S1P 16.8067
112 2YG2 FLC 16.8067
113 1ZHX HC3 17.4603
114 4LED XXR 17.6471
115 4GN8 ASO 20.1681
116 3LXK MI1 21.8487
117 5NLD LBT 23.0216
118 4MA6 28E 26.8908
119 5LDQ NAP 34.4538
120 4K55 H6P 45.9677
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