Receptor
PDB id Resolution Class Description Source Keywords
2V73 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF THE FAMILY 40 CBM FROM C. PERFRINGENS NANJ IN COMPLEX WITH A SIALIC ACID CONTAINING MOLECULE CLOSTRIDIUM PERFRINGENS CARBOHYDRATE-BINDING MODULE BACTERIAL PATHOGEN SIALIC ACID SUGAR-BINDING PROTEIN
Ref.: CARBOHYDRATE RECOGNITION BY A LARGE SIALIDASE TOXIN FROM CLOSTRIDIUM PERFRINGENS. BIOCHEMISTRY V. 46 11352 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1188;
A:1189;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
SIA A:1190;
Valid;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V73 2.2 Å NON-ENZYME: BINDING THE STRUCTURE OF THE FAMILY 40 CBM FROM C. PERFRINGENS NANJ IN COMPLEX WITH A SIALIC ACID CONTAINING MOLECULE CLOSTRIDIUM PERFRINGENS CARBOHYDRATE-BINDING MODULE BACTERIAL PATHOGEN SIALIC ACID SUGAR-BINDING PROTEIN
Ref.: CARBOHYDRATE RECOGNITION BY A LARGE SIALIDASE TOXIN FROM CLOSTRIDIUM PERFRINGENS. BIOCHEMISTRY V. 46 11352 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2V73 - SIA C11 H19 N O9 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2V73 - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2V73 - SIA C11 H19 N O9 CC(=O)N[C@....
2 5FRE Kd = 32 uM SIA GAL n/a n/a
3 5FRA Kd = 68 uM SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; 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 : 2V73; Ligand: SIA; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 2v73.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FBN 5WF 0.01308 0.42645 1.57068
2 5DYW 5HF 0.03524 0.40307 2.09424
3 4NZN 2OU 0.03632 0.41427 2.6178
4 4NZN ANP 0.03632 0.41427 2.6178
5 1KHT AMP 0.01135 0.41043 3.14136
6 2WET FAD 0.03595 0.40891 3.14136
7 5E9H MLI 0.005236 0.419 3.66492
8 4NJH SAM 0.02192 0.41535 3.66492
9 4NJH 2K8 0.02192 0.41535 3.66492
10 4CU7 GIF 0.01235 0.40475 3.66492
11 2WQP WQP 0.02071 0.41404 4.71204
12 1K27 MTM 0.02119 0.40291 4.71204
13 2V58 LZJ 0.02619 0.42414 4.89978
14 5TA6 79D 0.03398 0.40521 5.2356
15 5D4Y BXP 0.009346 0.40751 5.75916
16 4AGS GSH 0.009884 0.4065 5.75916
17 5JE0 AZ8 0.02195 0.41947 6.80628
18 5JE0 SAH 0.02195 0.41947 6.80628
19 4XOE KGM 0.001693 0.45029 7.32984
20 5AB1 BCD TA5 HP6 MAN 0.001562 0.44819 7.32984
21 2AOT 2PM 0.01033 0.40226 7.32984
22 3B9A NAG NAG NAG NAG NAG NAG 0.0157 0.43257 7.8534
23 2WK2 SN5 SN5 0.01898 0.44011 8.90052
24 2WK2 SN5 SN5 NGT 0.01898 0.44011 8.90052
25 4ME6 ADP 0.005811 0.41647 8.90052
26 1B8O IMH 0.0237 0.40121 8.90052
27 5VZ0 ADP 0.01736 0.40119 11.5183
28 2DW7 SRT 0.0202 0.40298 12.5654
29 3MTX PGT 0.009979 0.43093 15.2318
30 4OTH DRN 0.02538 0.40594 17.2775
31 3NVD OAN 0.01115 0.42577 19.8953
32 4YZ5 SLT 0.0000000004623 0.73619 23.5602
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