Receptor
PDB id Resolution Class Description Source Keywords
3PTY 2 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF THE C-TERMINAL EXTRACELLULAR DOMAIN OF MYCOBACTERIUM TUBERCULOSIS EMBC MYCOBACTERIUM TUBERCULOSIS BETA-SANDWICH CARBOHYDRATE BINDING CARBOHYDRATE TRANSFERA
Ref.: THE C-TERMINAL DOMAIN OF THE ARABINOSYLTRANSFERASE MYCOBACTERIUM TUBERCULOSIS EMBC IS A LECTIN-LIKE CARBOHYDRATE BINDING MODULE. PLOS PATHOG. V. 7 01299 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AFO A:1;
 Valid;
 none;
 submit data
262.343 C13 H26 O5 CCCCC...
CA A:1125;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
PO4 A:2;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PTY 2 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF THE C-TERMINAL EXTRACELLULAR DOMAIN OF MYCOBACTERIUM TUBERCULOSIS EMBC MYCOBACTERIUM TUBERCULOSIS BETA-SANDWICH CARBOHYDRATE BINDING CARBOHYDRATE TRANSFERA
Ref.: THE C-TERMINAL DOMAIN OF THE ARABINOSYLTRANSFERASE MYCOBACTERIUM TUBERCULOSIS EMBC IS A LECTIN-LIKE CARBOHYDRATE BINDING MODULE. PLOS PATHOG. V. 7 01299 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3PTY - AFO C13 H26 O5 CCCCCCCCO[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3PTY - AFO C13 H26 O5 CCCCCCCCO[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3PTY - AFO C13 H26 O5 CCCCCCCCO[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AFO; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 AFO 1 1
2 HSJ 0.886364 0.904762
3 BOG 0.886364 0.904762
4 BNG 0.886364 0.904762
5 KGM 0.863636 0.904762
6 B7G 0.863636 0.904762
7 HEX GLC 0.8 0.880952
8 BHG 0.8 0.880952
9 JZR 0.8 0.880952
10 LMU 0.666667 0.863636
11 UMQ 0.666667 0.863636
12 DMU 0.666667 0.863636
13 LMT 0.666667 0.863636
14 DEG 0.659574 0.809524
15 CQX 0.654545 0.883721
16 XNS 0.559322 0.818182
17 DR4 0.559322 0.818182
18 BGL 0.555556 0.904762
19 BHE 0.546875 0.844444
20 FK9 0.526316 0.818182
21 GLC NBU GAL GLA 0.5 0.795455
22 4YA 0.492308 0.844444
23 L6T 0.492063 0.844444
24 AOG FUC 0.485294 0.703704
25 OPM MAN MAN 0.463768 0.840909
26 6UZ 0.462687 0.717391
27 DA8 0.457143 0.844444
28 J5B 0.454545 0.744186
29 EBQ 0.454545 0.744186
30 AD7 0.450704 0.703704
31 HSH GLA FUC 0.450704 0.844444
32 AIG FUC 0.434783 0.703704
33 BGC 5VQ GAL GLA 0.428571 0.75
34 MA4 0.424658 0.75
35 SOG 0.423729 0.8
36 FEE 0.423077 0.690909
37 GM3 0.415584 0.703704
38 10M 0.414286 0.808511
39 CM5 0.410959 0.75
40 BHG FUC 0.408451 0.844444
41 AHR AHR 0.407407 0.756098
42 HTG 0.40678 0.8
43 F61 0.405063 0.690909
44 PBS 0.405063 0.690909
45 0SH 0.405063 0.690909
46 AGH 0.405063 0.690909
Similar Ligands (3D)
Ligand no: 1; Ligand: AFO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PTY; Ligand: AFO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3pty.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3PTY; Ligand: AFO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3pty.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback