Receptor
PDB id Resolution Class Description Source Keywords
1OH4 1.35 Å EC: 3.-.-.- STRUCTURAL AND THERMODYNAMIC DISSECTION OF SPECIFIC MANNAN R BY A CARBOHYDRATE-BINDING MODULE THERMOTOGA MARITIMA HYDROLASE CARBOHYDRATE BINDING MODULE MANNAN LECTIN GLYCHYDROLASE
Ref.: STRUCTURAL AND THERMODYNAMIC DISSECTION OF SPECIFIC RECOGNITION BY A CARBOHYDRATE BINDING MODULE, TMCBM STRUCTURE V. 11 665 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA BMA BMA BMA GLA BMA GLA B:1;
 Valid;
 none;
 Ka = 5500 M^-1
1150.99 n/a O=C1C...
CA A:1186;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GOL A:1184;
A:1185;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1187;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OF4 1.6 Å EC: 3.-.-.- STRUCTURAL AND THERMODYNAMIC DISSECTION OF SPECIFIC MANNAN R BY A CARBOHYDRATE-BINDING MODULE, TMCBM27 THERMOTOGA MARITIMA HYDROLASE/CARBOHYDRATE BINDING MANNAN BINDING CARBOHYDRATEMODULE POLYSACCHARIDE DEGRADATION HYDROLASE HYDROLASE- CARBOHYDRATE BINDING COMPLEX
Ref.: STRUCTURAL AND THERMODYNAMIC DISSECTION OF SPECIFIC RECOGNITION BY A CARBOHYDRATE BINDING MODULE, TMCBM STRUCTURE V. 11 665 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 1OH4 Ka = 5500 M^-1 BMA BMA BMA BMA GLA BMA GLA n/a n/a
2 1OF4 Kd = 2.9 uM BMA BMA BMA BMA BMA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 1OH4 Ka = 5500 M^-1 BMA BMA BMA BMA GLA BMA GLA n/a n/a
2 1OF4 Kd = 2.9 uM BMA BMA BMA BMA BMA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1OH4 Ka = 5500 M^-1 BMA BMA BMA BMA GLA BMA GLA n/a n/a
2 1OF4 Kd = 2.9 uM BMA BMA BMA BMA BMA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA BMA BMA BMA GLA BMA GLA; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA BMA BMA BMA GLA BMA GLA 1 1
2 BMA BMA BMA BMA GLA 0.649351 0.916667
3 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.607595 0.916667
4 GLC GLC GLC GLC GLC 0.536585 0.916667
5 BGC GLC GLC GLC 0.536585 0.916667
6 NAG GAL BGC GAL 0.505618 0.723404
7 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.505495 0.868421
8 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.505495 0.868421
9 BGC BGC BGC BGC BGC XYS 0.505495 0.868421
10 BGC GLA GAL 0.5 0.916667
11 BGC GLC GLC 0.487805 0.916667
12 BGC BGC BGC XYS BGC XYS 0.483516 0.868421
13 BGC 5VQ GAL GLA 0.469136 0.825
14 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.467532 0.916667
15 MAN BMA BMA BMA BMA BMA BMA 0.467532 0.916667
16 GLC GLC GLC GLC BGC GLC GLC 0.467532 0.916667
17 GLC EDO GLC 0.455696 0.868421
18 GLC GLC G6D ADH GLC GLC 0.454545 0.708333
19 GLC NBU GAL GLA 0.452381 0.785714
20 MAN BMA BMA 0.451219 0.868421
21 XYS GLC GLC 0.448276 0.944444
22 BMA MAN MAN 0.445783 0.916667
23 BGC XGP 0.444444 0.772727
24 MGL GAL 0.441558 0.868421
25 BGC BGC BGC XYS BGC XYS GAL 0.44 0.868421
26 GLC GLC GLC 0.436782 0.868421
27 BGC BGC BGC XYS XYS GAL GAL 0.434343 0.868421
28 G2F SHG BGC BGC 0.433735 0.825
29 BGC BGC BGC XYS BGC XYS XYS 0.431579 0.868421
30 BGC BGC BGC XYS XYS GAL 0.425743 0.846154
31 6SA 0.424779 0.723404
32 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.423077 0.868421
33 BGC BGC BGC XYS BGC XYS XYS GAL 0.423077 0.868421
34 H1M MAN MAN 0.422222 0.804878
35 GPM GLC 0.421687 0.755556
36 BGC BGC BGC BGC BGC BGC BGC BGC 0.418605 0.916667
37 MMA MAN MAN 0.418605 0.868421
38 MAN MAN BMA 0.418605 0.868421
39 G2F BGC BGC BGC BGC BGC 0.418605 0.804878
40 BGC BGC XYS BGC XYS XYS GAL 0.417476 0.868421
41 BGC BGC GLC BGC XYS BGC XYS XYS 0.414894 0.846154
42 FRU BGC BGC BGC 0.413793 0.804878
43 NBG BGC BGC XYS BGC XYS XYS 0.411765 0.693878
44 BMA MAN MAN MAN MAN 0.410526 0.972222
45 UMQ 0.409091 0.733333
46 G3I 0.409091 0.717391
47 LMT 0.409091 0.733333
48 G2I 0.409091 0.717391
49 LMU 0.409091 0.733333
50 BGC OXZ BGC 0.409091 0.647059
51 DMU 0.409091 0.733333
52 BGC BGC XYS GAL 0.408602 0.868421
53 RCB 0.408602 0.618182
54 BGC BGC BGC BGC 0.406593 0.916667
55 SOR GLC GLC 0.404494 0.891892
56 GLO GLC GLC GLC 0.4 0.918919
57 BGC BGC BGC XYS 0.4 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA BMA BMA BMA GLA BMA GLA; 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 : 1OF4; Ligand: BMA BMA BMA BMA BMA; 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: 1of4.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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