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Receptor
PDB id Resolution Class Description Source Keywords
1J6W 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS HAEMOPHILUS INFLUENZAE 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 A:601;
B:501;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
ZN A:176;
B:176;
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
1J6W 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS HAEMOPHILUS INFLUENZAE 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 286 families.
1 1J6W - 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 209 families.
1 1J6W - 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 174 families.
1 1J6W - 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 : 1J6W; Ligand: MET; Similar sites found with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 1j6w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3P9T TCL None
2 5FAH 5VT None
3 5DEQ ARA None
4 1IYE PGU 1.71429
5 5EXT ADP 1.71429
6 4KCF FMN 1.71429
7 5CYV WCA 2.05479
8 4B5P ACO 2.28571
9 3ZZH NLG 2.28571
10 1QXO FMN 2.85714
11 5U98 1KX 2.85714
12 5YF9 NIO 2.85714
13 4QBK 3NZ 2.85714
14 3WR7 COA 2.94118
15 5M3E APR 3.0303
16 5WRE 7TL 3.22581
17 5UY8 AMZ 3.42857
18 2J8Z NAP 3.42857
19 5APG EEM 3.42857
20 3FIU AMP 3.42857
21 4C5N ACP 3.42857
22 3MCT SAH 3.42857
23 4USI ATP 3.8961
24 3F10 8HG 4
25 1JG3 ADN 4
26 2QV6 GTP 4
27 4QVX 3CQ 4
28 1CM8 ANP 4
29 1A59 COA 4
30 1IHU ADP 4.57143
31 5OYH T99 4.57143
32 5FOE GDP 4.57143
33 5FS0 5JC 4.57143
34 2UZ1 TPP 4.57143
35 4BUY F37 4.57143
36 5NCJ HL5 5.14286
37 5NCJ SIN 5.14286
38 3GQT UFO 5.14286
39 5U3F 7TS 5.14286
40 4QJL COA 5.14286
41 4B98 PXG 5.14286
42 5H86 BCO 5.35714
43 5KAU RHQ 5.45455
44 3T58 FAD 5.71429
45 4XZ6 TMO 5.71429
46 4POW OP1 5.71429
47 4UUG PXG 5.71429
48 3CH6 311 6.28571
49 3CH6 NAP 6.28571
50 5VN0 NAI 6.28571
51 5Y79 3PG 6.28571
52 3GGO ENO 6.28571
53 3GGO NAI 6.28571
54 3PVT 3HC 6.28571
55 2B4D COA 6.43275
56 2RH1 CAU 6.85714
57 1J09 GLU 6.85714
58 1J09 ATP 6.85714
59 1YRO GDU 7.31707
60 1AJ8 COA 7.42857
61 1SBR VIB 7.42857
62 5BQS 4VN 7.42857
63 3AI7 TPP 7.42857
64 3QVV A3P 8.57143
65 5KY3 GFB 8.57143
66 1KNY KAN 8.57143
67 1SOX MTE 8.57143
68 3H4V NAP 9.14286
69 5MR6 FAD 9.14286
70 1YKF NAP 9.71429
71 1IXE COA 9.71429
72 1KEV NDP 10.2857
73 3OZV FAD 10.2857
74 4R57 ACO 10.2857
75 3QWB NDP 12
76 3DZD ADP 12
77 3D04 SAK 12.5786
78 1WN3 HXC 14.7059
79 2WZG UPG 17.7143
80 4R5M NAP 20.5714
81 4R5M 4NO 20.5714
82 2YAK OSV 21.7143
83 1TLL FAD 27.4286
84 2FQO HYI 47.7707
Pocket No.: 2; Query (leader) PDB : 1J6W; Ligand: MET; Similar sites found with APoc: 34
This union binding pocket(no: 2) in the query (biounit: 1j6w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3VVY ET 1.14286
2 3COW 52H 1.71429
3 2C0U FAD NBT 2.85714
4 5OVV ACE ILE GLU SER THR GLU ILE 3.25203
5 4EHQ GBL 3.37838
6 4BR5 ANP 3.42857
7 3MAG SAH 3.42857
8 1OCU PIB 3.7037
9 2BFR ADP 4
10 5WPJ NDP 4
11 4R5Z SIN 4
12 3EWR APR 4.16667
13 4AU8 Z3R 4.57143
14 3AQV TAK 4.57143
15 1UPA TPP 4.57143
16 1ZOA 140 5.14286
17 4B7X NAP 5.14286
18 4O1M NAD 5.14286
19 1BOB ACO 5.71429
20 4ZCC FAD 6.28571
21 2ZCQ B65 6.82594
22 2ZSC BTN 7.80142
23 4ZBR NPS 8
24 4DO1 ANN 8
25 4U9U FAD 8
26 1UF5 CDT 9.14286
27 2ART LPA AMP 10.8571
28 3VYW SAM 11.4286
29 1CT9 GLN 12
30 1Y0Y L2O VAL VAL ASP 13.1429
31 3ZOD FMN 13.1429
32 3ZOD HQE 13.1429
33 2A06 SMA 16.0494
34 3NZW BOC TY5 ALA RE0 ABN 20
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