-->
Receptor
PDB id Resolution Class Description Source Keywords
3LEO 2.1 Å EC: 4.4.1.20 STRUCTURE OF HUMAN LEUKOTRIENE C4 SYNTHASE MUTANT R31Q IN CO GLUTATHIONE HOMO SAPIENS LEUKOTRIENE C4 SYNTHASE ENDOPLASMIC RETICULUM LEUKOTRIENE BIOSYNTHESIS LYASE MEMBRANE NUCLEUS TRANSMEMBRANE
Ref.: ARGININE 104 IS A KEY CATALYTIC RESIDUE IN LEUKOTRI SYNTHASE. J.BIOL.CHEM. V. 285 40771 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:214;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GSH A:212;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
LMT A:213;
Invalid;
none;
submit data
510.615 C24 H46 O11 CCCCC...
NI A:210;
A:211;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
PAM A:201;
A:215;
Invalid;
Invalid;
none;
none;
submit data
254.408 C16 H30 O2 CCCCC...
PLM A:202;
A:203;
A:204;
A:206;
A:207;
A:208;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
SO4 A:205;
A:209;
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
3LEO 2.1 Å EC: 4.4.1.20 STRUCTURE OF HUMAN LEUKOTRIENE C4 SYNTHASE MUTANT R31Q IN CO GLUTATHIONE HOMO SAPIENS LEUKOTRIENE C4 SYNTHASE ENDOPLASMIC RETICULUM LEUKOTRIENE BIOSYNTHESIS LYASE MEMBRANE NUCLEUS TRANSMEMBRANE
Ref.: ARGININE 104 IS A KEY CATALYTIC RESIDUE IN LEUKOTRI SYNTHASE. J.BIOL.CHEM. V. 285 40771 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UUH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 3LEO - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 4JRZ - GTX C16 H30 N3 O6 S CCCCCCSC[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UUH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 3LEO - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 4JRZ - GTX C16 H30 N3 O6 S CCCCCCSC[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UUH - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 3LEO - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 4JRZ - GTX C16 H30 N3 O6 S CCCCCCSC[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSH; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GS8 0.672727 0.840909
6 GDS 0.672727 0.837209
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 GSB 0.528571 0.878049
18 0HH 0.528571 0.782609
19 GSO 0.521127 0.857143
20 BOB 0.493506 0.75
21 GTB 0.493333 0.631579
22 GBI 0.486842 0.782609
23 48T 0.481013 0.8
24 GTD 0.480519 0.6
25 ESG 0.480519 0.62069
26 L9X 0.480519 0.62069
27 1R4 0.474359 0.62069
28 GIP 0.474359 0.6
29 GBP 0.468354 0.6
30 GPS 0.468354 0.72
31 GPR 0.468354 0.72
32 GAZ 0.457831 0.679245
33 GVX 0.45679 0.8
34 HFV 0.447761 0.8
35 ASV 0.446154 0.9
36 GNB 0.445783 0.6
37 VB1 0.444444 0.9
38 W05 0.444444 0.923077
39 LZ6 0.436782 0.692308
40 ACV 0.430769 0.878049
41 CDH 0.424242 0.818182
42 BCV 0.424242 0.9
43 2G2 0.42029 0.615385
44 HGA 0.42 0.622222
45 MEQ 0.411765 0.658537
46 M8F 0.411765 0.837209
47 TS4 0.410256 0.804348
48 M9F 0.405797 0.837209
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
51 M2W 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LEO; Ligand: GSH; 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: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LEO; Ligand: GSH; 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: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3LEO; Ligand: GSH; 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: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3LEO; Ligand: GSH; 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: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: 73
This union binding pocket(no: 9) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 3KP6 SAL None
3 6BR8 6OU None
4 1UO5 PIH None
5 3IIS PID None
6 1L0I PSR None
7 4XCP PLM None
8 4V3I ASP LEU THR ARG PRO 1.29032
9 1XZ3 ICF 1.93548
10 2BHW NEX 2.58065
11 1ZED PNP 2.58065
12 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 2.94118
13 1M2Z BOG 3.87097
14 3TDC 0EU 3.87097
15 4MGA 27L 3.87097
16 2HHP FLC 3.87097
17 2GWH PCI 3.87097
18 4TV1 36M 3.87097
19 4MG9 27K 3.87097
20 2RH1 CLR 3.87097
21 3GF2 SAL 3.87097
22 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.51613
23 6A0S NDP 4.51613
24 1DTL BEP 4.51613
25 1NF8 BOG 4.51613
26 5IUY BOG 4.51613
27 4DE3 DN8 4.51613
28 1E4I NFG 4.51613
29 4V1F BQ1 4.65116
30 6CB2 OLC 5.16129
31 3O01 DXC 5.16129
32 3ZQE DXC 5.16129
33 1HBK MYR 5.61798
34 3AI3 SOE 5.80645
35 1XVB 3BR 5.80645
36 4ELG 52J 5.80645
37 4ELG 52I 5.80645
38 4MRP GSH 5.80645
39 3X01 AMP 6.45161
40 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.45161
41 4G86 BNT 7.09677
42 3W5N RAM 7.74194
43 1TV5 N8E 7.74194
44 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 7.74194
45 4RW3 PLM 7.94702
46 2WOR 2AN 8
47 3B6H MXD 8.3871
48 3NB0 G6P 8.3871
49 2P4Y C03 8.3871
50 3FAL REA 8.67769
51 6DIO CIT 9.67742
52 2BCG GER 9.67742
53 1R6N 434 10.3226
54 5Z3I ADE 10.3226
55 1FX8 BOG 10.3226
56 3PMA SCR 10.3226
57 5LX9 OLB 10.9677
58 5LWY OLB 10.9677
59 2CB8 MYA 11.4943
60 5AZC PGT 11.6129
61 6BMS POV 11.6129
62 5TVI MYR 11.9565
63 5ZCO CHD 15.2542
64 5Z84 CHD 15.2542
65 5UGW GSH 16.7742
66 5OCA 9QZ 21.2903
67 5BQI GSH 21.9355
68 5BQI 4UL 21.9355
69 5ET3 60C 23.3333
70 4OGQ 7PH 24.3243
71 4OGQ UMQ 24.3243
72 5W7B MYR 33.5484
73 4BPM GSH 36.7742
Pocket No.: 10; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3leo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3leo.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3leo.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3LEO; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3leo.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback