Receptor
PDB id Resolution Class Description Source Keywords
3HCR 2.2 Å EC: 4.99.1.1 HUMAN FERROCHELATASE WITH DEUTEROPORPHYRIN AND NI BOUND 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHD A:4;
A:424;
B:3;
B:924;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
CL A:1;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FDE A:426;
Invalid;
none;
submit data
564.413 C30 H28 Fe N4 O4 Cc1cc...
FES A:501;
B:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL B:925;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IMD A:2;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
IMD FDE B:1;
Invalid;
none;
submit data n/a n/a n/a n/a
OXY A:425;
B:926;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
SO4 A:427;
B:2;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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 2 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 2 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 2 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
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HCN; Ligand: CHD; 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: 3hcn.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HCN; Ligand: CHD; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 3hcn.bio1) has 86 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TV5 N8E 0.04122 0.42611 1.94986
2 4M4Q 21A 0.009466 0.41165 2.07469
3 5MBC FMN 0.04186 0.40071 2.26629
4 2YFB SIN 0.01635 0.43154 2.32558
5 4TQ3 GPP 0.02212 0.42141 2.64026
6 5LI9 ACP 0.03311 0.40009 2.85714
7 3SDV 911 0.01905 0.42124 3.06407
8 1U5R ATP 0.01186 0.42475 3.16092
9 2GTE VA 0.0143 0.40636 3.22581
10 1XK5 TPG 0.0409 0.41889 3.43137
11 5MOB A8S 0.04646 0.4078 3.44828
12 3TL1 JRO 0.04841 0.41407 3.77358
13 4V3I ASP LEU THR ARG PRO 0.01048 0.4542 3.89105
14 3CV2 COA 0.03581 0.42511 3.89972
15 3OZV ECN 0.0212 0.41887 4.17827
16 3QP8 HL0 0.03758 0.40018 4.34783
17 4OCV NDG 0.03828 0.41233 4.73538
18 5V3D FCN 0.03159 0.42565 4.82759
19 3MAN BMA BMA MAN 0.03202 0.42287 5.62914
20 5LXM ADP 0.0401 0.40165 6.00707
21 5V4R MGT 0.02583 0.43524 6.17284
22 5G1X ADP 0.03637 0.40379 6.34921
23 1JG3 VAL TYR PRO IAS HIS ALA 0.03058 0.41758 6.80851
24 3TDC 0EU 0.04097 0.44017 7.24234
25 2VWA PTY 0.00911 0.46202 7.92079
26 4ONT SIA GAL BGC 0.02594 0.43143 8.52713
27 2WQN ADP 0.04131 0.40718 9.35484
28 4K30 NLG 0.01231 0.44291 10
29 5EPO TUD 0.02814 0.40637 10.687
30 1RDL MMA 0.008275 0.42166 12.3894
Pocket No.: 3; Query (leader) PDB : 3HCN; Ligand: CHD; 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: 3hcn.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HCN; Ligand: CHD; 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: 3hcn.bio1) has 86 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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