Receptor
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
ICF A:201;
Valid;
none;
Ka ~ 100000 M^-1
184.492 C3 H2 Cl F5 O [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XZ3 1.75 Å NON-ENZYME: BINDING COMPLEX OF APOFERRITIN WITH ISOFLURANE EQUUS CABALLUS 4-HELIX BUNDLE METAL BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY VOLATILE ANESTHE BINDING IN A NATURAL 4-HELIX BUNDLE PROTEIN. FASEB J. V. 19 567 2005
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
2 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
3 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
4 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
5 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
6 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
8 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
9 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ICF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ICF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XZ3; Ligand: ICF; 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: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: 129
This union binding pocket(no: 7) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.000903 0.50203 None
2 2ALG HP6 0.000903 0.50203 None
3 3OLL EST 0.003591 0.46501 None
4 3MBG FAD 0.01951 0.4462 None
5 4J24 EST 0.01157 0.43567 None
6 3V49 PK0 0.01688 0.43292 None
7 5TVI O8N 0.001821 0.4319 None
8 1YYE 196 0.01432 0.42949 None
9 4EKQ NPO 0.004002 0.42126 None
10 2ZHZ ATP 0.01029 0.4181 None
11 1OQC FAD 0.03434 0.41599 None
12 1L6O SER LEU LYS LEU MET THR THR VAL 0.03078 0.41546 None
13 5E7V M7E 0.03233 0.40725 0.574713
14 5L7G 6QE 0.006438 0.43983 1.14943
15 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.008062 0.4394 1.14943
16 4B7P 9UN 0.004599 0.48324 1.72414
17 2A1L PCW 0.0344 0.42808 1.72414
18 1JF0 CZH 0.04164 0.40917 1.72414
19 5EY0 GTP 0.00849 0.4305 2.29885
20 1M13 HYF 0.03358 0.41266 2.29885
21 4BAE RWX 0.005555 0.40413 2.29885
22 2Z6D FMN 0.0124 0.437 2.30769
23 4ZGM 32M 0.007501 0.4178 2.45902
24 3KP6 SAL 0.005468 0.40235 2.64901
25 1SR7 MOF 0.002195 0.48088 2.87356
26 1YUC EPH 0.008028 0.44758 2.87356
27 2BP1 FLC 0.007207 0.43174 2.87356
28 1YOK P6L 0.02707 0.42825 2.87356
29 3O01 DXC 0.003627 0.41904 2.87356
30 3OTX AP5 0.03122 0.40777 2.87356
31 2VAT COA 0.03824 0.40518 2.87356
32 3EWK FAD 0.006645 0.45541 3.44828
33 4TV1 36M 0.01071 0.43289 3.44828
34 4OMJ 2TX 0.01159 0.43013 3.44828
35 1O6U PLM 0.005954 0.42665 3.44828
36 2R75 01G 0.04168 0.42274 3.44828
37 2QA8 GEN 0.0173 0.4198 3.44828
38 3ZQE DXC 0.008441 0.41295 3.44828
39 2IYA ZIO 0.0142 0.41254 3.44828
40 4C9G CXT 0.002884 0.41068 3.44828
41 2Z77 HE7 0.01523 0.41938 3.59712
42 2Z77 NCA 0.01059 0.40215 3.59712
43 4IBF 1D5 0.008133 0.41067 3.87597
44 3NTD COA 0.005701 0.46663 4.02299
45 3G9E RO7 0.009586 0.43619 4.02299
46 3FS1 MYR 0.01059 0.43296 4.02299
47 4ZBR DIF 0.01268 0.4311 4.02299
48 4ZBR NPS 0.01216 0.4311 4.02299
49 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01025 0.4292 4.02299
50 3ET3 ET1 0.009136 0.42528 4.02299
51 3AQT RCO 0.008382 0.41995 4.02299
52 2O1V ADP 0.0315 0.413 4.02299
53 3JRS A8S 0.009628 0.40957 4.02299
54 3G4G D71 0.04015 0.40532 4.02299
55 3R9C ECL 0.02094 0.41821 4.30622
56 4V24 GYR 0.001669 0.49011 4.5977
57 2WPF WPF 0.01819 0.47923 4.5977
58 5K7K 6RJ 0.002631 0.46118 4.5977
59 5EP2 AZU 0.01474 0.44116 4.5977
60 3OV6 MK0 0.02276 0.43608 4.5977
61 3QKD HI0 0.01371 0.42947 4.5977
62 4QGE 35O 0.01449 0.42783 4.5977
63 1IID NHM 0.04102 0.42302 4.5977
64 5CKW ANP 0.007632 0.40995 4.5977
65 5N7O 69Y 0.03079 0.40597 4.5977
66 5G3N X28 0.03609 0.41706 4.72441
67 2FP2 TSA 0.01773 0.43915 4.81928
68 2GJ3 FAD 0.01618 0.427 5
69 1GHE ACO 0.009435 0.45081 5.17241
70 5V3Y 5V8 0.02277 0.41169 5.17241
71 4ZOM 4Q3 0.01892 0.45254 5.74713
72 4LSJ LSJ 0.0042 0.44532 5.74713
73 4P6X HCY 0.003416 0.44204 5.74713
74 3BQD DAY 0.007139 0.4309 5.74713
75 1MT1 AG2 0.009021 0.43529 5.76923
76 2P1C GG3 0.002424 0.48046 6.32184
77 5CXI 5TW 0.004397 0.4712 6.32184
78 5GIC DLC 0.01733 0.44211 6.32184
79 3GFZ FMN 0.02672 0.41434 6.32184
80 3QCP FAD 0.04356 0.40543 6.32184
81 2CET PGI 0.01104 0.40496 6.32184
82 3BJC WAN 0.01693 0.40143 6.32184
83 4OGN 2U5 0.02239 0.41518 6.66667
84 3WCA FPS 0.004046 0.47488 6.89655
85 5IR4 ZPE 0.004286 0.44973 6.89655
86 3L1N PLM 0.006353 0.42867 6.89655
87 3FAL REA 0.02123 0.42242 6.89655
88 4PKI ATP 0.01787 0.4015 6.89655
89 4MRS GDS 0.03184 0.41328 7.32899
90 4MRV HGD 0.03846 0.40807 7.32899
91 4I4B 1CV 0.008038 0.45768 7.47126
92 4I4B NAD 0.01904 0.45444 7.47126
93 5VZ0 2BA 0.007102 0.44569 7.47126
94 1JAY F42 0.01325 0.4295 7.47126
95 1BWO LPC 0.009841 0.41671 7.77778
96 4R38 RBF 0.01394 0.43516 7.85714
97 4PA0 2OW 0.002557 0.46026 8.04598
98 4DM8 REA 0.01214 0.43332 8.04598
99 1XAP TTB 0.01361 0.42773 8.04598
100 5K13 6Q7 0.02227 0.41911 8.04598
101 3A51 VDY 0.02694 0.41568 8.04598
102 2YNC YNC 0.04055 0.41274 8.04598
103 1RV1 IMZ 0.04495 0.40112 8.23529
104 5EW9 5VC 0.02735 0.42693 8.62069
105 4OKZ 3E9 0.03046 0.40096 8.62069
106 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.03409 0.43769 8.92857
107 3LOO B4P 0.004084 0.46476 9.1954
108 3KDU NKS 0.04348 0.43124 9.1954
109 4RW3 PLM 0.002535 0.42193 9.1954
110 3ET1 ET1 0.01532 0.41608 9.1954
111 5C1M 4VO 0.007234 0.44056 9.77011
112 5C1M OLC 0.003851 0.4249 9.77011
113 5C1M CLR 0.006231 0.42307 9.77011
114 2HU5 GLY PHE 0.02772 0.40869 9.77011
115 5AZC PGT 0.04201 0.44393 12.069
116 5HCY 60D 0.02094 0.42804 12.069
117 1XVB 3BR 0.002614 0.46894 13.2184
118 5X8Q 82R 0.04581 0.40565 13.6364
119 1FCH TYR GLN SER LYS LEU 0.02887 0.41779 14.3678
120 3GGO ENO 0.02624 0.41303 14.9425
121 3GGO NAI 0.02624 0.41303 14.9425
122 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.006362 0.44151 15
123 2OYH GLY HIS ARG PRO 0.005155 0.40281 15.1515
124 2DYR TGL 0.003122 0.47126 16.4706
125 2DYR PEK 0.01745 0.44429 16.4706
126 4OAR 2S0 0.01853 0.42228 17.6471
127 2EV1 OLA 0.01623 0.41561 18.3908
128 5DJT FMN 0.01029 0.44556 22.069
129 1NLI ADE 0.01947 0.40209 22.4138
Pocket No.: 8; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 1XZ3; Ligand: ICF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 1xz3.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback