Receptor
PDB id Resolution Class Description Source Keywords
3CYQ 2.3 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE COMPLEX OF THE C-TERMINAL DOMAI HELICOBACTER PYLORI MOTB (RESIDUES 125-256) WITH N-ACETYLMU HELICOBACTER PYLORI HELICOBACTER PYLORI BACTERIAL FLAGELLAR MOTOR PEPTIDOGLYCABINDING BACTERIAL FLAGELLUM CHEMOTAXIS FLAGELLAR ROTATIOMEMBRANE MEMBRANE TRANSMEMBRANE MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE CELL WALL ANCHOR DOMAIN OF STATOR COMPONENT OF THE BACTERIAL FLAGELLAR MOTOR: IMPLICATIONS FOR PEPTIDOGLYCAN RECOGNITION. PROC.NATL.ACAD.SCI.USA 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMU D:5;
K:2;
Valid;
Valid;
none;
none;
submit data
293.27 C11 H19 N O8 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CYQ 2.3 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF THE COMPLEX OF THE C-TERMINAL DOMAI HELICOBACTER PYLORI MOTB (RESIDUES 125-256) WITH N-ACETYLMU HELICOBACTER PYLORI HELICOBACTER PYLORI BACTERIAL FLAGELLAR MOTOR PEPTIDOGLYCABINDING BACTERIAL FLAGELLUM CHEMOTAXIS FLAGELLAR ROTATIOMEMBRANE MEMBRANE TRANSMEMBRANE MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE CELL WALL ANCHOR DOMAIN OF STATOR COMPONENT OF THE BACTERIAL FLAGELLAR MOTOR: IMPLICATIONS FOR PEPTIDOGLYCAN RECOGNITION. PROC.NATL.ACAD.SCI.USA 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3CYQ - AMU C11 H19 N O8 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMU; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 AMU 1 1
2 491 0.603175 0.759259
3 MU2 0.578947 0.843137
4 3LT 0.565789 0.843137
5 GAL A2G 0.539683 0.87234
6 A2G GAL 0.539683 0.87234
7 GAL NGA 0.539683 0.87234
8 MUR 0.525424 0.863636
9 FUC NAG 0.523077 0.913043
10 NAG BDP 0.514706 0.875
11 AH0 0.507692 0.833333
12 NAG A2G 0.492537 0.895833
13 NAG NGA 0.492537 0.895833
14 NAG 0.490909 0.930233
15 HSQ 0.490909 0.930233
16 NGA 0.490909 0.930233
17 BM3 0.490909 0.930233
18 NDG 0.490909 0.930233
19 A2G 0.490909 0.930233
20 GAL NGA A2G 0.485714 0.877551
21 GC4 NAG 0.465753 0.875
22 UCD 0.459459 0.857143
23 NAG MUB 0.448718 0.86
24 NAG AMU 0.448718 0.86
25 NAG GAL FUC 0.447368 0.893617
26 DR3 0.447368 0.893617
27 NAG GAD 0.434211 0.84
28 GAD NDG 0.434211 0.84
29 NGA GCD 0.434211 0.84
30 GCD NGA 0.434211 0.84
31 AMU ALA GMA LYS NH2 0.43299 0.767857
32 SNG 0.42623 0.851064
33 ASG 0.415385 0.683333
34 NGA GAL 0.414286 0.87234
35 GAL NAG 0.414286 0.87234
36 NAG GAL 0.414286 0.87234
37 NAG BDP NAG BDP 0.413043 0.811321
38 NDG GAL 0.405797 0.87234
39 NLC 0.405797 0.87234
40 GAL NDG 0.405797 0.87234
41 FUC NDG GAL 0.402597 0.893617
42 FUC NAG GAL 0.402597 0.893617
43 GAL NDG FUC 0.402597 0.893617
44 GAL NAG FUC 0.402597 0.893617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CYQ; Ligand: AMU; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 3cyq.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SUD SUE 0.01397 0.4159 None
2 2CUL FAD 0.01339 0.43914 2.17391
3 2P53 NNG 0.01844 0.40986 2.17391
4 4KOA NDP 0.01319 0.40623 2.17391
5 5KOR GDP 0.004164 0.45111 2.89855
6 4A0M NAD 0.02792 0.41961 3.62319
7 1DJN ADP 0.02856 0.40356 3.62319
8 2YBQ UP2 0.03197 0.40356 3.62319
9 2YK7 CSF 0.01155 0.43314 4.34783
10 1D6S PLP MET 0.01675 0.42035 4.34783
11 1NZY BCA 0.02887 0.41005 4.34783
12 1JXZ BCA 0.03031 0.40874 4.34783
13 3ZY6 GFB 0.001625 0.47649 5.07246
14 5KY3 GFB 0.004769 0.45246 5.07246
15 1LJ8 NAD 0.014 0.42042 5.07246
16 4Z3X MTE 0.04189 0.40703 5.07246
17 4Z3X 4KX 0.04366 0.40703 5.07246
18 1O94 ADP 0.02997 0.40364 5.07246
19 1PMO PLR 0.01647 0.41547 5.7971
20 4I42 1HA 0.02599 0.41268 5.7971
21 2HMT NAI 0.0271 0.40626 6.94444
22 4MP8 NAD 0.04976 0.40452 7.97101
23 2YYY NAP 0.01798 0.40783 8.69565
24 3T64 DU3 0.0175 0.42392 9.42029
25 4B4U NAP 0.02829 0.41659 10.1449
26 4AOA IK2 0.02013 0.40655 10.1449
27 1M7G ADP 0.0358 0.40054 10.1449
28 3O84 HTJ 0.03746 0.40472 12.3188
29 3IES M24 0.03264 0.41397 14.4928
30 4C3Y FAD 0.02194 0.41984 15.2174
31 1X7D NAD 0.03254 0.41345 15.2174
32 4C3Y ANB 0.03128 0.40959 15.2174
33 3VC3 C6P 0.02602 0.40769 15.2174
34 3RIY NAD 0.01819 0.41891 17.3913
35 1NJJ ORX 0.01563 0.4179 19.5652
36 1R27 MGD 0.01111 0.43836 21.7391
37 3SIX GDP 0.005825 0.42501 41.3043
Pocket No.: 2; Query (leader) PDB : 3CYQ; Ligand: AMU; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 3cyq.bio8) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MV8 NAD 0.03793 0.40307 2.17391
2 1AMU AMP 0.04433 0.40036 2.17391
3 4BVA T3 0.03885 0.40041 2.89855
4 2X06 NAD 0.04111 0.40633 3.62319
5 1NBU PH2 0.0128 0.42451 4.20168
6 2GZ3 NAP 0.006276 0.47216 4.34783
7 2B4R NAD 0.04635 0.40507 4.34783
8 2TPS TPS 0.0173 0.40507 4.34783
9 1B57 PGH 0.005685 0.42128 5.07246
10 3GDN FAD 0.04664 0.41673 5.07246
11 2X4Z X4Z 0.02984 0.41296 5.07246
12 1MDB AMP DBH 0.02013 0.40208 5.07246
13 1LTH NAD 0.03805 0.40383 5.7971
14 5K1F IMP 0.01545 0.40134 5.7971
15 3F8D FAD 0.02544 0.4432 6.52174
16 1PS9 FAD 0.02479 0.4183 7.24638
17 1YAG ATP 0.02425 0.40709 7.24638
18 4B1Y ATP 0.02321 0.40682 7.24638
19 1QPG MAP 0.01513 0.41708 7.97101
20 1M3U KPL 0.002764 0.44121 10.1449
21 3WLE NAD 0.04805 0.40697 10.1449
22 5M67 3D1 0.02002 0.42458 10.8696
23 1YBH FAD 0.03059 0.40349 10.8696
24 2OBF F83 0.04487 0.4086 12.3188
25 2D0V PQQ 0.01643 0.40419 13.0435
26 2HK9 NAP 0.04855 0.40931 13.7681
27 4KP7 1UQ 0.04042 0.42174 14.4928
28 3O26 NDP 0.02701 0.42166 14.4928
29 1H6C NDP 0.02219 0.4139 15.2174
30 2Q7V FAD 0.03235 0.41477 17.3913
Pocket No.: 3; Query (leader) PDB : 3CYQ; Ligand: AMU; 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: 3cyq.bio9) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CYQ; Ligand: AMU; 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: 3cyq.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback