Receptor
PDB id Resolution Class Description Source Keywords
4MMP 1.57 Å NON-ENZYME: BINDING STRUCTURE OF SIALIC ACID BINDING PROTEIN FROM PASTURELLA MUL PASTEURELLA MULTOCIDA SUBSP. GALLICIDAORGANISM_TAXID: 1169409 SUGAR BINDING PROTEIN SUGAR TRANSPORT TRAP TRANSPORTER
Ref.: BACTERIAL PERIPLASMIC SIALIC ACID-BINDING PROTEINS CONSERVED BINDING SITE. ACTA CRYSTALLOGR.,SECT.D V. 70 1801 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SLB A:401;
Valid;
none;
Kd = 19.7 nM
309.27 C11 H19 N O9 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MMP 1.57 Å NON-ENZYME: BINDING STRUCTURE OF SIALIC ACID BINDING PROTEIN FROM PASTURELLA MUL PASTEURELLA MULTOCIDA SUBSP. GALLICIDAORGANISM_TAXID: 1169409 SUGAR BINDING PROTEIN SUGAR TRANSPORT TRAP TRANSPORTER
Ref.: BACTERIAL PERIPLASMIC SIALIC ACID-BINDING PROTEINS CONSERVED BINDING SITE. ACTA CRYSTALLOGR.,SECT.D V. 70 1801 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4MMP Kd = 19.7 nM SLB C11 H19 N O9 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 1068 families.
1 4MNP Kd = 45.5 nM SLB C11 H19 N O9 CC(=O)N[C@....
2 3B50 Kd = 28 nM SLB C11 H19 N O9 CC(=O)N[C@....
3 2CEX Kd = 20 uM DAN C11 H17 N O8 CC(=O)N[C@....
4 4MMP Kd = 19.7 nM SLB C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4MNP Kd = 45.5 nM SLB C11 H19 N O9 CC(=O)N[C@....
2 3B50 Kd = 28 nM SLB C11 H19 N O9 CC(=O)N[C@....
3 2CEX Kd = 20 uM DAN C11 H17 N O8 CC(=O)N[C@....
4 4MMP Kd = 19.7 nM SLB C11 H19 N O9 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SLB; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 DAN 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MMP; Ligand: SLB; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 4mmp.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R38 RBF 0.001573 0.40596 None
2 2XK9 XK9 0.02178 0.40729 3.8961
3 3G5N PB2 0.01342 0.40933 4.22078
4 5X1M DHB 0.01654 0.40858 5.19481
5 5X1M THG 0.01815 0.40782 5.19481
6 4FFG 0U8 0.01355 0.41006 5.84416
7 3WIR BGC 0.01217 0.40964 6.81818
8 5VC5 96M 0.01876 0.40209 7.95848
9 5DJT FMN 0.007286 0.41024 9.83607
10 3A4X NAG NAG NAG NDG 0.01429 0.40776 10.7143
11 3AIH BMA MAN MAN 0.007841 0.42051 17.7419
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