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 E1001 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 E1001 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 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 8 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 8 families.
1 3PTY - AFO C13 H26 O5 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AFO; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 AFO 1 1
2 HSJ 0.886364 0.904762
3 BNG 0.886364 0.904762
4 BOG 0.886364 0.904762
5 B7G 0.863636 0.904762
6 KGM 0.863636 0.904762
7 JZR 0.8 0.880952
8 GLC HEX 0.8 0.880952
9 BHG 0.8 0.880952
10 HEX GLC 0.8 0.880952
11 LMU 0.666667 0.863636
12 LMT 0.666667 0.863636
13 DMU 0.666667 0.863636
14 UMQ 0.666667 0.863636
15 DEG 0.659574 0.809524
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 BGB 0.5 0.844444
22 GLA GAL GLC NBU 0.5 0.795455
23 4YA 0.492308 0.844444
24 BHG FUC 0.492308 0.844444
25 FUC BHG 0.492308 0.844444
26 AOG FUC 0.485294 0.711538
27 OPM MAN MAN 0.463768 0.840909
28 6UZ 0.462687 0.717391
29 DA8 0.457143 0.844444
30 AD7 0.450704 0.703704
31 AIG FUC 0.434783 0.711538
32 EBG 0.428571 0.704545
33 EBQ 0.428571 0.704545
34 GLA GAL BGC 5VQ 0.428571 0.75
35 BGA 0.426829 0.666667
36 MA4 0.424658 0.75
37 SOG 0.423729 0.8
38 FEE 0.423077 0.690909
39 GM3 0.415584 0.703704
40 10M 0.414286 0.808511
41 CM5 0.410959 0.75
42 DLG FUC 0.408451 0.844444
43 FUB AHR 0.407407 0.756098
44 AHR AHR 0.407407 0.756098
45 HTG 0.40678 0.8
46 PBS 0.405063 0.690909
47 AGH 0.405063 0.690909
48 0SH 0.405063 0.690909
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PTY; Ligand: AFO; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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