Receptor
PDB id Resolution Class Description Source Keywords
2QD2 2.2 Å EC: 4.99.1.1 F110A VARIANT OF HUMAN FERROCHELATASE WITH PROTOHEME BOUND HOMO SAPIENS HEME SYNTHESIS FERROCHELATASE PROTOPORPHYRIN IX HEME BIOSYNTHESIS IRON LYASE PORPHYRIN BIOSYNTHESIS BIOSYNTHETIC PROTEIN
Ref.: A PI-HELIX SWITCH SELECTIVE FOR PORPHYRIN DEPROTONATION AND PRODUCT RELEASE IN HUMAN FERROCHELATASE. J.MOL.BIOL. V. 373 1006 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCT A:1;
B:2;
 Invalid;
Invalid;
 none;
none;
 submit data
61.017 C H O3 C(=O)...
CHD A:2;
A:426;
B:1;
B:4;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
408.571 C24 H40 O5 C[C@H...
FES A:424;
B:424;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
175.82 Fe2 S2 S1[Fe...
HEM A:602;
B:601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
IMD A:3;
A:425;
B:425;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
69.085 C3 H5 N2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HCN 1.6 Å EC: 4.99.1.1 HG AND PROTOPORPHYRIN BOUND HUMAN FERROCHELATASE HOMO SAPIENS FERROCHELATASE METAL SELECTIVITY DISEASE MUTATION HEME BIOSYNTHESIS IRON IRON-SULFUR LYASE MEMBRANE METAL-BINMITOCHONDRION MITOCHONDRION INNER MEMBRANE PORPHYRIN BIOSTRANSIT PEPTIDE
Ref.: PRODUCT RELEASE RATHER THAN CHELATION DETERMINES ME SPECIFICITY FOR FERROCHELATASE. J.MOL.BIOL. V. 393 308 2009
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HCR - CHD C24 H40 O5 C[C@H](CCC....
2 2QD3 - CHD C24 H40 O5 C[C@H](CCC....
3 2QD1 - CHD C24 H40 O5 C[C@H](CCC....
4 1HRK - CHD C24 H40 O5 C[C@H](CCC....
5 2QD4 - CHD C24 H40 O5 C[C@H](CCC....
6 2QD2 - CHD C24 H40 O5 C[C@H](CCC....
7 3W1W - CHD C24 H40 O5 C[C@H](CCC....
8 3HCN - CHD C24 H40 O5 C[C@H](CCC....
9 2QD5 - CHD C24 H40 O5 C[C@H](CCC....
10 3HCP - CHD C24 H40 O5 C[C@H](CCC....
11 2HRE - PP9 C34 H34 N4 O4 Cc1c2cc3/n....
12 3HCO - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HCR - CHD C24 H40 O5 C[C@H](CCC....
2 2QD3 - CHD C24 H40 O5 C[C@H](CCC....
3 2QD1 - CHD C24 H40 O5 C[C@H](CCC....
4 1HRK - CHD C24 H40 O5 C[C@H](CCC....
5 2QD4 - CHD C24 H40 O5 C[C@H](CCC....
6 2QD2 - CHD C24 H40 O5 C[C@H](CCC....
7 3W1W - CHD C24 H40 O5 C[C@H](CCC....
8 3HCN - CHD C24 H40 O5 C[C@H](CCC....
9 2QD5 - CHD C24 H40 O5 C[C@H](CCC....
10 3HCP - CHD C24 H40 O5 C[C@H](CCC....
11 2HRE - PP9 C34 H34 N4 O4 Cc1c2cc3/n....
12 3HCO - CHD C24 H40 O5 C[C@H](CCC....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HCR - CHD C24 H40 O5 C[C@H](CCC....
2 2QD3 - CHD C24 H40 O5 C[C@H](CCC....
3 2QD1 - CHD C24 H40 O5 C[C@H](CCC....
4 1HRK - CHD C24 H40 O5 C[C@H](CCC....
5 2QD4 - CHD C24 H40 O5 C[C@H](CCC....
6 2QD2 - CHD C24 H40 O5 C[C@H](CCC....
7 3W1W - CHD C24 H40 O5 C[C@H](CCC....
8 3HCN - CHD C24 H40 O5 C[C@H](CCC....
9 2QD5 - CHD C24 H40 O5 C[C@H](CCC....
10 3HCP - CHD C24 H40 O5 C[C@H](CCC....
11 2HRE - PP9 C34 H34 N4 O4 Cc1c2cc3/n....
12 3HCO - CHD C24 H40 O5 C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: CHD; Similar ligands found: 14
No: Ligand Similarity coefficient
1 3KL 0.9562
2 CHC 0.9426
3 K2B 0.9292
4 1N7 0.9233
5 30Q 0.9140
6 LOA 0.8949
7 TH2 0.8870
8 3G6 0.8852
9 LHP 0.8752
10 D0O 0.8735
11 CLR 0.8639
12 BLD 0.8607
13 DTX 0.8548
14 DOG 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HCN; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3hcn.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HCN; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3hcn.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HCN; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3hcn.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HCN; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3hcn.bio1) has 86 residues
No: Leader PDB Ligand Sequence Similarity
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