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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 510 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 1205 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 1039 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: 47
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 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
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 SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 EQP 0.470588 0.788462
21 AXP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SID 0.459459 0.82
24 SIA SIA SIA 0.453488 0.826923
25 MUS 0.449438 0.796296
26 NXD 0.447368 0.792453
27 SIA WIA 0.447059 0.767857
28 SIA 2FG 0.447059 0.796296
29 SLT 0.44086 0.877551
30 KDO 0.435484 0.704545
31 SIA GAL 0.435294 0.86
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 SIA GAL GLC 0.402062 0.86
41 BGC SIA GAL 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 BGC GAL SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 GLA GLC SIA 0.402062 0.86
46 4AM 0.4 0.833333
47 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 with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 4mmp.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4R38 RBF None
2 1P6O HPY 1.24224
3 5TBM 79A 2.5641
4 1EZ0 NAP 2.5974
5 5VCM UDP 2.92208
6 5GUD NDP 2.92208
7 5GUD 2IT 2.92208
8 3WW2 SF6 3.125
9 5XWC 2IT 3.24675
10 5XWC NAP 3.24675
11 5XWC 8GL 3.24675
12 2XK9 XK9 3.8961
13 3G5N PB2 4.22078
14 2PR5 FMN 4.54545
15 5FFF NAP 4.87013
16 4RGA 3PV 5.19481
17 5X1M DHB 5.19481
18 5X1M THG 5.19481
19 6GG9 FMN 5.55556
20 4FFG 0U8 5.84416
21 5W7R 9Z7 6.16883
22 3WIR BGC 6.81818
23 4HIA FMN 7.38636
24 5VC5 96M 7.95848
25 1B09 PC 8.73786
26 5DJT FMN 9.83607
27 3A4X NAG NAG NAG NDG 10.7143
28 4DOL PLM 12.9032
29 4WVO 3UZ 14.2857
30 3AIH BMA MAN MAN 17.7419
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