Receptor
PDB id Resolution Class Description Source Keywords
4COW 2.15 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF EPITHELIAL ADHESIN 6 A DOMAIN (EPA6A) F CANDIDA GLABRATA IN COMPLEX WITH THE T-ANTIGEN (GALB1-3GALN CANDIDA GLABRATA CELL ADHESION LECTIN TISSUE INVASION PATHOGENICITY
Ref.: STRUCTURAL HOTSPOTS DETERMINE FUNCTIONAL DIVERSITY CANDIDA GLABRATA EPITHELIAL ADHESIN FAMILY J.BIOL.CHEM. V. 290 19597 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1272;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA A:1269;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GOL A:1273;
A:1274;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NGA GAL B:1;
 Valid;
 none;
 Kd = 5.15 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4COV 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF EPITHELIAL ADHESIN 6 A DOMAIN (EPA6A) F CANDIDA GLABRATA IN COMPLEX WITH GALA1-3GAL CANDIDA GLABRATA CELL ADHESION LECTIN TISSUE INVASION PATHOGENICITY
Ref.: STRUCTURAL HOTSPOTS DETERMINE FUNCTIONAL DIVERSITY CANDIDA GLABRATA EPITHELIAL ADHESIN FAMILY J.BIOL.CHEM. V. 290 19597 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4COU - BGC GAL n/a n/a
2 4COV Kd = 4.4 uM GAL GLA n/a n/a
3 4COZ Kd = 14.82 uM NAG GAL n/a n/a
4 4COW Kd = 5.15 uM NGA GAL n/a n/a
5 4COY Kd = 9.42 uM NAG GAL n/a n/a
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6Y9J - BGC GAL n/a n/a
2 4AF9 - GLC GAL n/a n/a
3 4ASL Kd = 2.1 uM NGA GAL n/a n/a
4 4AFA - GLC GAL n/a n/a
5 4D3W Kd = 0.85 uM NGA GAL n/a n/a
6 4AFC - GLC GAL n/a n/a
7 4A3X Kd = 31.9 uM BGC GAL n/a n/a
8 4COU - BGC GAL n/a n/a
9 4COV Kd = 4.4 uM GAL GLA n/a n/a
10 4COZ Kd = 14.82 uM NAG GAL n/a n/a
11 4COW Kd = 5.15 uM NGA GAL n/a n/a
12 4COY Kd = 9.42 uM NAG GAL n/a n/a
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6Y9J - BGC GAL n/a n/a
2 4AF9 - GLC GAL n/a n/a
3 4ASL Kd = 2.1 uM NGA GAL n/a n/a
4 4AFA - GLC GAL n/a n/a
5 4D3W Kd = 0.85 uM NGA GAL n/a n/a
6 4AFC - GLC GAL n/a n/a
7 4A3X Kd = 31.9 uM BGC GAL n/a n/a
8 4COU - BGC GAL n/a n/a
9 4COV Kd = 4.4 uM GAL GLA n/a n/a
10 4COZ Kd = 14.82 uM NAG GAL n/a n/a
11 4COW Kd = 5.15 uM NGA GAL n/a n/a
12 4COY Kd = 9.42 uM NAG GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4COV; Ligand: GAL GLA; 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: 4cov.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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