Receptor
PDB id Resolution Class Description Source Keywords
5O59 1.75 Å EC: 3.2.1.- CELLOBIOHYDROLASE CEL7A FROM T. ATROVIRIDE HYPOCREA ATROVIRIDIS HYDROLASE GLYCOSIDE HYDROLASE CELLOBIOHYDROLASE CELLULASE
Ref.: CORRELATION OF STRUCTURE, FUNCTION AND PROTEIN DYNA GH7 CELLOBIOHYDROLASES FROM TRICHODERMA ATROVIRIDE, REESEI AND T. HARZIANUM. BIOTECHNOL BIOFUELS V. 11 5 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTB B:507;
A:605;
Invalid;
Invalid;
none;
none;
submit data
209.24 C8 H19 N O5 C(CO)...
NI A:603;
B:503;
B:502;
A:602;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
GOL B:504;
B:505;
A:604;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GS1 GLC GS1 B:511;
B:508;
A:609;
A:606;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
536.572 n/a S(C1C...
NAG A:601;
B:501;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PEG B:506;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O59 1.75 Å EC: 3.2.1.- CELLOBIOHYDROLASE CEL7A FROM T. ATROVIRIDE HYPOCREA ATROVIRIDIS HYDROLASE GLYCOSIDE HYDROLASE CELLOBIOHYDROLASE CELLULASE
Ref.: CORRELATION OF STRUCTURE, FUNCTION AND PROTEIN DYNA GH7 CELLOBIOHYDROLASES FROM TRICHODERMA ATROVIRIDE, REESEI AND T. HARZIANUM. BIOTECHNOL BIOFUELS V. 11 5 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5O59 - GS1 GLC GS1 n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5O59 - GS1 GLC GS1 n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5O59 - GS1 GLC GS1 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GS1 GLC GS1; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 GS1 GLC GS1 1 1
2 SGC SGC BGC 1 1
3 TCB 0.911111 1
4 GLC SGC 0.911111 1
5 GLC SSG SSG SGC 0.642857 0.971429
6 TM6 0.630769 0.972222
7 BGC SGC BGC SGC BGC SGC BGC SGC 0.630769 0.972222
8 1FT 0.616667 0.76087
9 BGC SSG SSG SGC MA3 0.610169 0.921053
10 BGC SGC SGC GTM 0.610169 0.921053
11 GLC SSG SGC SGC MA3 0.610169 0.921053
12 GLC MA1 0.571429 0.971429
13 GLC SGC SGC MGL 0.521127 0.921053
14 TDG 0.520833 0.971429
15 1LL 0.520833 0.971429
16 SMD 0.47541 0.921053
17 BGC SGC BGC SGC BGC SGC BGC SGC SGC 0.453333 0.972222
18 WZ1 0.444444 0.921053
19 TM5 0.44 0.972222
20 YDR 0.42623 1
21 GLC 0.408163 0.8
22 BGC 0.408163 0.8
23 WOO 0.408163 0.8
24 ALL 0.408163 0.8
25 GXL 0.408163 0.8
26 BMA 0.408163 0.8
27 MAN 0.408163 0.8
28 GAL 0.408163 0.8
29 GIV 0.408163 0.8
30 GLA 0.408163 0.8
31 MA2 MA3 0.4 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O59; Ligand: GS1 GLC GS1; 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: 5o59.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5O59; Ligand: GS1 GLC GS1; 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: 5o59.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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