Receptor
PDB id Resolution Class Description Source Keywords
1SJA 2.3 Å EC: 4.-.-.- X-RAY STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE COMPLEXED WITH N-ACETYLMETHIONINE AMYCOLATOPSIS SP. RACEMASE LYASE ISOMERASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL STUDIES OF THE PROMISCUOUS O-SUCCINYLBENZOATE SYNTHASE FROM AMYCOLATOPSIS BIOCHEMISTRY V. 43 5716 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AME A:600;
B:700;
C:800;
D:900;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
191.248 C7 H13 N O3 S CC(=O...
MG A:601;
B:701;
C:801;
D:901;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SJD 1.87 Å EC: 4.-.-.- X-RAY STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE COMPLEXED WITH N-SUCCINYL PHENYLGLYCINE AMYCOLATOPSIS SP. RACEMASE LYASE ISOMERASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL STUDIES OF THE PROMISCUOUS O-SUCCINYLBENZOATE SYNTHASE FROM AMYCOLATOPSIS BIOCHEMISTRY V. 43 5716 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
5 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
6 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AME; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 AME 1 1
2 CDT 0.666667 0.775
3 QRG 0.636364 0.829268
4 SMG 0.55814 0.842105
5 AN0 0.555556 0.8
6 NLG 0.540541 0.722222
7 FME 0.538462 0.911765
8 NLQ 0.512821 0.710526
9 AOR 0.5 0.692308
10 SAC 0.485714 0.641026
11 SC2 0.472222 0.722222
12 EPM 0.470588 0.85
13 OLN 0.444444 0.636364
14 AAG 0.425532 0.622222
15 M8F 0.413793 0.727273
16 MET 0.410256 0.771429
17 MED 0.410256 0.771429
18 RDM 0.408163 0.684211
Similar Ligands (3D)
Ligand no: 1; Ligand: AME; Similar ligands found: 59
No: Ligand Similarity coefficient
1 GLY MET 0.9499
2 P4B 0.9235
3 NIG 0.9195
4 RSM 0.9177
5 NCD 0.9161
6 EKN 0.9157
7 TRA 0.9118
8 CIT 0.9104
9 1AL 0.9103
10 VPR 0.9101
11 GLY PRO 0.9056
12 NFQ 0.9027
13 HCA 0.9017
14 FLC 0.9014
15 PCV 0.9011
16 DMO 0.9008
17 ICT 0.9003
18 V6F 0.8978
19 TRC 0.8965
20 ALA LYS 0.8962
21 HCT 0.8952
22 GLY LEU 0.8949
23 SSM 0.8949
24 ALA LEU 0.8947
25 J01 0.8897
26 AQK 0.8865
27 OKM 0.8832
28 GLY ASP 0.8816
29 4HM 0.8812
30 ATH 0.8791
31 ALA GLN 0.8790
32 RD4 0.8787
33 CDV 0.8784
34 IN2 0.8780
35 GV9 0.8780
36 AQQ 0.8775
37 PRZ 0.8754
38 ALA GLU 0.8738
39 OW7 0.8728
40 JAA 0.8718
41 II6 0.8715
42 3R9 0.8700
43 0FA 0.8699
44 NQM 0.8697
45 512 0.8685
46 G01 0.8674
47 G88 0.8666
48 IPZ 0.8656
49 2ED 0.8656
50 ZZ8 0.8644
51 ALA DGL 0.8637
52 6XI 0.8630
53 C4L 0.8627
54 BRR 0.8626
55 C26 0.8607
56 MN9 0.8601
57 HHT 0.8598
58 AIN 0.8592
59 692 0.8549
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1SJD; Ligand: NPG; 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: 1sjd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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