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Receptor
PDB id Resolution Class Description Source Keywords
1INN 1.8 Å EC: 3.13.1.- CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 DEINOCOCCUS RADIODURANS ALPHA-BETA FOLD SIGNALING PROTEIN
Ref.: A STRUCTURAL GENOMICS APPROACH TO THE STUDY OF QUOR SENSING: CRYSTAL STRUCTURES OF THREE LUXS ORTHOLOGS STRUCTURE V. 9 527 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET B:501;
Valid;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
ZN A:167;
B:167;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1INN 1.8 Å EC: 3.13.1.- CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 DEINOCOCCUS RADIODURANS ALPHA-BETA FOLD SIGNALING PROTEIN
Ref.: A STRUCTURAL GENOMICS APPROACH TO THE STUDY OF QUOR SENSING: CRYSTAL STRUCTURES OF THREE LUXS ORTHOLOGS STRUCTURE V. 9 527 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1INN - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1INN - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1INN - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1INN; Ligand: MET; Similar sites found with APoc: 50
This union binding pocket(no: 1) in the query (biounit: 1inn.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5O3Q CMP None
2 2IBY COA 1.80723
3 4ZBR NPS 2.40964
4 4ZBR DIF 2.40964
5 4NW6 2NS 2.40964
6 3AHO 3A2 2.40964
7 2WKV COA 2.40964
8 3LU1 NAD 3.01205
9 3RE4 TO1 3.01205
10 2HBL AMP 3.61446
11 5Y86 HRM 3.61446
12 2VAR AMP 3.61446
13 2VAR ANP 3.61446
14 4L9Z OXL 3.61446
15 4L9Z COA 3.61446
16 1YID ATP 4.21687
17 5W4W 9WG 4.21687
18 1M2Z BOG 4.21687
19 3KO8 NAD 4.21687
20 4D0G GTP 4.21687
21 5UY8 AMZ 4.21687
22 4M26 ZZU 5.42169
23 4M26 SIN 5.42169
24 3OVR 5SP 5.42169
25 4O1M NAD 5.42169
26 1P7T ACO 5.42169
27 3MKH FAD 6.0241
28 4ONA UW1 6.0241
29 5WCZ NOJ 6.0241
30 1Q20 PLO 6.62651
31 1Q20 A3P 6.62651
32 4MFL MFK 7.22892
33 5GT9 NAP 7.22892
34 4R57 ACO 7.22892
35 2J9C ATP 7.56302
36 3VMF GTP 7.83133
37 2VHL GLP 7.83133
38 5EIB GTP 7.83133
39 4L2I FAD 7.83133
40 1YQD NAP 8.43373
41 5XQL C2E 9.03614
42 3WXM GTP 9.03614
43 4QJL COA 9.63855
44 3QVV A3P 11.4458
45 1G3M A3P 11.4458
46 1G3M PCQ 11.4458
47 4CRL C1I 12.0482
48 2Z3Y F2N 12.0482
49 2YG3 FAD 13.8554
50 2A06 SMA 16.129
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