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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 510 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 391 families.
1 2V73 - SIA C11 H19 N O9 CC(=O)N[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 2V73 - SIA C11 H19 N O9 CC(=O)N[C@....
2 6ER3 - SIA GAL n/a n/a
3 6ER4 Kd = 1.7 mM SIA GAL BGC n/a n/a
4 5FRE Kd = 32 uM SIA GAL n/a n/a
5 5FRA Kd = 68 uM SIA GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIA; 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 : 2V73; Ligand: SIA; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 2v73.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1M5W DXP 2.09424
2 4NZN 2OU 2.6178
3 4NZN ANP 2.6178
4 2W5F XYP XYP XYP 2.6178
5 1KHT AMP 3.14136
6 2WET FAD 3.14136
7 6FE1 V14 3.14136
8 4YGF AZM 3.14136
9 3FPZ AHZ 3.14136
10 5E9H MLI 3.66492
11 4NJH SAM 3.66492
12 4NJH 2K8 3.66492
13 4CU7 GIF 3.66492
14 6CI7 ACP 4.71204
15 2WQP WQP 4.71204
16 6CIB ADP 4.71204
17 1K27 MTM 4.71204
18 2V58 LZJ 4.89978
19 3ZCN ATP 5.02645
20 5TA6 79D 5.2356
21 4LAM 5CU 5.2356
22 5D4Y BXP 5.75916
23 4AGS GSH 5.75916
24 5JE0 SAH 6.80628
25 5JE0 AZ8 6.80628
26 4XOE KGM 7.32984
27 5AB1 BCD TA5 HP6 MAN 7.32984
28 2AOT 2PM 7.32984
29 3B9A NAG NAG NAG NAG NAG NAG 7.8534
30 1ZPT FAD 7.8534
31 2WK2 SN5 SN5 NGT 8.90052
32 2WK2 SN5 SN5 8.90052
33 4WW8 VD9 8.90052
34 1B8O IMH 8.90052
35 5VZ0 ADP 11.5183
36 2DW7 SRT 12.5654
37 3MTX PGT 15.2318
38 5GVL GI8 16.7539
39 5GVL PLG 16.7539
40 4OTH DRN 17.2775
41 3NVD OAN 19.8953
42 4YZ5 SLT 23.5602
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