Receptor
PDB id Resolution Class Description Source Keywords
5HPO 1.8 Å EC: 3.2.1.177 CYCLOALTERNAN-FORMING ENZYME FROM LISTERIA MONOCYTOGENES IN WITH MALTOPENTAOSE LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) LMO2446 LISTERIA MONOCYTOGENES EGD-E CENTER FOR STRUCTURALOF INFECTIOUS DISEASES CSGID SUGAR BINDING PROTEIN HYDRO
Ref.: TRANSFERASE VERSUS HYDROLASE: THE ROLE OF CONFORMAT FLEXIBILITY IN REACTION SPECIFICITY. STRUCTURE V. 25 295 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1104;
A:1105;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
CA A:1103;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MG A:1102;
A:1101;
 Part of Protein;
Invalid;
 none;
none;
 submit data
24.305 Mg [Mg+2...
PEG A:1106;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
GLC GLC GLC GLC B:1;
C:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.393;
Atoms found LESS than expected: % Diff = 0.393;
 submit data
648.564 n/a OCC1O...
GLC GLC GLC D:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.589;
 submit data
488.439 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5F7U 1.7 Å EC: 3.2.1.177 CYCLOALTERNAN-FORMING ENZYME FROM LISTERIA MONOCYTOGENES IN WITH PENTASACCHARIDE SUBSTRATE LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) COMPLEX STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICSINFECTIOUS DISEASES CSGID SUGAR BINDING PROTEIN
Ref.: STRUCTURE TO FUNCTION OF AN ALPHA-GLUCAN METABOLIC THAT PROMOTES LISTERIA MONOCYTOGENES PATHOGENESIS. NAT MICROBIOL V. 2 16202 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I0D - GLC GLC GLC GLC n/a n/a
2 5F7U - GLC GLC n/a n/a
3 5HXM - GLC GLC n/a n/a
4 5HPO - GLC GLC GLC GLC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I0D - GLC GLC GLC GLC n/a n/a
2 5F7U - GLC GLC n/a n/a
3 5HXM - GLC GLC n/a n/a
4 5HPO - GLC GLC GLC GLC n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I0D - GLC GLC GLC GLC n/a n/a
2 5F7U - GLC GLC n/a n/a
3 5HXM - GLC GLC n/a n/a
4 5HPO - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
3 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 4PW 0.5 0.777778
Ligand no: 2; Ligand: GLC GLC GLC; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC 1 1
2 BGC BGC GLC BGC XYS BGC XYS XYS 0.690141 0.972222
3 MAN BMA BMA 0.65625 1
4 BGC GLC GLC 0.651515 0.942857
5 BGC BGC BGC XYS XYS GAL 0.6375 0.972222
6 GLC GLC GLC GLC GLC 0.614286 0.942857
7 BGC GLC GLC GLC 0.614286 0.942857
8 MAN MAN BMA 0.602941 1
9 BGC BGC BGC BGC 0.597222 0.942857
10 BMA MAN MAN 0.573529 0.942857
11 BGC BGC XYS XYS GAL 0.573171 0.944444
12 BGC BGC BGC XYS XYS GAL GAL 0.573171 0.944444
13 BGC GLC GLC GLC GLC GLC 0.571429 0.942857
14 BGC GLC GLC GLC GLC 0.571429 0.942857
15 BGC BGC XYS GAL 0.552632 0.944444
16 GLC GLC XYS XYS 0.547945 0.916667
17 BGC BGC XYS BGC XYS XYS GAL 0.546512 0.944444
18 BGC BGC BGC XYS 0.538462 0.944444
19 BGC BGC BGC XYS BGC XYS XYS 0.5375 0.944444
20 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.534091 0.944444
21 BGC BGC BGC XYS BGC XYS XYS GAL 0.534091 0.944444
22 MMA MAN 0.53125 0.891892
23 BMA BMA BMA BMA GLA 0.52 0.942857
24 GLC AGL 0.514706 0.755556
25 MMA MAN MAN 0.513889 0.891892
26 BGC BGC BGC XYS BGC XYS 0.506173 0.944444
27 BGC BGC BGC BGC BGC XYS 0.493976 0.944444
28 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.493976 0.944444
29 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.493976 0.944444
30 BGC BGC BGC XYS BGC XYS GAL 0.488636 0.944444
31 AHR AHR AHR AHR AHR 0.484375 0.810811
32 AHR AHR AHR AHR 0.484375 0.810811
33 AHR AHR AHR AHR AHR AHR 0.484375 0.810811
34 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.480519 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.47619 0.942857
36 H1M MAN MAN 0.474359 0.871795
37 NBG BGC BGC XYS BGC XYS XYS 0.47191 0.708333
38 BMA MAN MAN MAN 0.4625 0.868421
39 MAN MAN MAN 0.4625 0.916667
40 1GN ACY GAL 1GN BGC ACY GAL BGC 0.461538 0.66
41 AHR AHR 0.460317 0.810811
42 G2F BGC BGC BGC BGC BGC 0.453333 0.871795
43 NAG BMA 0.453333 0.693878
44 NAG GAL BGC GAL 0.440476 0.702128
45 BMA MAN MAN MAN MAN 0.440476 0.891892
46 BMA NGT MAN MAN 0.43956 0.634615
47 BMA BMA BMA BMA GLA BMA GLA 0.436782 0.868421
48 GLC EDO GLC 0.43662 0.944444
49 FRU GLC GLA 0.435897 0.846154
50 NAG NAG BMA MAN MAN MAN MAN 0.433962 0.673077
51 NAG NAG MAN MAN MAN 0.431579 0.66
52 NOJ BGC 0.430556 0.73913
53 Z9N GLC 0.430556 0.846154
54 GLC FRU GLA GLA GLA 0.43038 0.846154
55 GLC FRU GLA GLA 0.43038 0.846154
56 QPU 0.426829 0.772727
57 IFM MAN 0.424658 0.717391
58 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.418367 0.702128
59 BGC GLA GAL 0.41791 0.942857
60 NGB 0.414634 0.6
61 GAL GLA 0.411765 0.942857
62 NOJ GLC 0.410959 0.73913
63 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.408451 0.942857
64 MAN BMA BMA BMA BMA BMA BMA 0.408451 0.942857
65 GLC GLC GLC GLC BGC GLC GLC 0.408451 0.942857
66 GLO BGC BGC XYS BGC XYS XYS 0.408163 0.918919
67 LSE 0.407407 0.66
68 BQZ 0.40625 0.857143
69 MAN MAN 0.405797 0.942857
70 GLC FRU GLA 0.404762 0.846154
71 BGC BGC BGC BGC BGC BGC 0.402778 0.942857
72 GLC BGC BGC BGC 0.402778 0.942857
73 BGC BGC BGC 0.402778 0.942857
74 BGC BGC BGC BGC BGC 0.402778 0.942857
75 BGC BGC BGC BGC BGC BGC BGC 0.402778 0.942857
76 5QP 0.402778 0.942857
77 NAG BMA MAN MAN MAN MAN 0.4 0.702128
78 MGL GAL 0.4 0.891892
79 RZM 0.4 0.695652
80 GPM GLC 0.4 0.733333
81 BGC GAL GLA 0.4 0.942857
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 BGC GLC GLC GLC 0.9840
2 GLC GLC AC1 0.9642
3 GLC G6D ADH GLC 0.9064
4 GLC GAL GLD ACI 0.9008
5 GLC G6D ACI GLC 0.8960
6 BGC GLC AC1 0.8951
7 GLC GLC DAF 0.8904
8 GLO GLC GLC GLC 0.8881
9 GLC GLC GLC BGC 0.8817
10 SOR GLC GLC GLC 0.8761
Ligand no: 2; Ligand: GLC GLC GLC; Similar ligands found: 10
No: Ligand Similarity coefficient
1 LAG 0.9370
2 XYP GLC GLC 0.9331
3 GLC DAF 0.9325
4 GLC AC1 0.9214
5 XYS GLC GLC 0.9182
6 LM2 0.9162
7 SOR GLC GLC 0.8879
8 BMA BMA BMA 0.8877
9 GLC BGC BGC 0.8707
10 GAL GAL GAL 0.8638
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5F7U; Ligand: GLC GLC GLC; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5f7u.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5I0F GLC GLC 43.6562
Pocket No.: 2; Query (leader) PDB : 5F7U; Ligand: GLC GLC; 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: 5f7u.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5F7U; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5f7u.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5F7U; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5f7u.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5F7U; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5f7u.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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