Receptor
PDB id Resolution Class Description Source Keywords
1OCJ 1.3 Å EC: 3.2.1.91 MUTANT D416A OF THE CELLOBIOHYDROLASE CEL6A FROM HUMICOLA IN COMPLEX WITH A THIOPENTASACCHARIDE AT 1.3 ANGSTROM RESOLUTI HUMICOLA INSOLENS HYDROLASE CELLULOSE DEGRADATION PROCESSIVE MECHANISM GLYCOHYDROLASE FAMILY 6
Ref.: STRUCTURAL BASIS FOR LIGAND BINDING AND PROCESSIVIT CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS STRUCTURE V. 11 855 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:507;
 Invalid;
 none;
 submit data
60.052 C2 H4 O2 CC(=O...
MG A:506;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
NAG A:500;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
MA3 SGC SSG SSG BGC B:1;
 Valid;
 none;
 submit data
907.015 n/a S(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OC7 1.11 Å EC: 3.2.1.91 D405N MUTANT OF THE CELLOBIOHYDROLASE CEL6A FROM HUMICOLA IN COMPLEX WITH METHYL-TETRATHIO-ALPHA-D-CELLOPENTOSIDE AT 1.1R ESOLUTION HUMICOLA INSOLENS HYDROLASE CELLULOSE DEGRADATION CELLOBIOHYDROLASE CELLULAGLYCOSIDE HYDROLASE FAMILY 6 PROCESSIVE MECHANISM
Ref.: STRUCTURAL BASIS FOR LIGAND BINDING AND PROCESSIVIT CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS STRUCTURE V. 11 855 2003
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1OCB - GTM BGC BGC n/a n/a
2 2BVW - BGC BGC BGC BGC n/a n/a
3 1OCJ - MA3 SGC SSG SSG BGC n/a n/a
4 1OC5 - MGL SGC BGC BGC n/a n/a
5 1GZ1 - MGL SGC BGC BGC n/a n/a
6 1OC7 - MA3 C7 H14 O5 S CO[C@@H]1[....
7 1OCN - IFM BGC n/a n/a
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4AU0 - BGC XZZ BGC n/a n/a
2 1HGY - GLC C6 H12 O6 C([C@@H]1[....
3 1QK2 - MGL SGC GLC GLC n/a n/a
4 4AX7 - BGC 4MU BGC n/a n/a
5 1QK0 - XYP IOB BGC n/a n/a
6 4AX6 - BGC UWU BGC n/a n/a
7 1QJW - MGL SGC GLC GLC n/a n/a
8 1OCB - GTM BGC BGC n/a n/a
9 2BVW - BGC BGC BGC BGC n/a n/a
10 1OCJ - MA3 SGC SSG SSG BGC n/a n/a
11 1OC5 - MGL SGC BGC BGC n/a n/a
12 1GZ1 - MGL SGC BGC BGC n/a n/a
13 1OC7 - MA3 C7 H14 O5 S CO[C@@H]1[....
14 1OCN - IFM BGC n/a n/a
15 4A05 - BGC BGC n/a n/a
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3A9B - BGC BGC n/a n/a
2 3ABX - RCB C24 H35 N O18 c1cc(ccc1[....
3 4AU0 - BGC XZZ BGC n/a n/a
4 1HGY - GLC C6 H12 O6 C([C@@H]1[....
5 1QK2 - MGL SGC GLC GLC n/a n/a
6 4AX7 - BGC 4MU BGC n/a n/a
7 1QK0 - XYP IOB BGC n/a n/a
8 4AX6 - BGC UWU BGC n/a n/a
9 1QJW - MGL SGC GLC GLC n/a n/a
10 3VOI - RCB C24 H35 N O18 c1cc(ccc1[....
11 3VOH - BGC BGC n/a n/a
12 1OCB - GTM BGC BGC n/a n/a
13 2BVW - BGC BGC BGC BGC n/a n/a
14 1OCJ - MA3 SGC SSG SSG BGC n/a n/a
15 1OC5 - MGL SGC BGC BGC n/a n/a
16 1GZ1 - MGL SGC BGC BGC n/a n/a
17 1OC7 - MA3 C7 H14 O5 S CO[C@@H]1[....
18 1OCN - IFM BGC n/a n/a
19 5XCZ - GLC BGC n/a n/a
20 4A05 - BGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MA3 SGC SSG SSG BGC; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 GTM SGC SGC BGC 1 1
2 MA3 SGC SSG SSG BGC 1 1
3 MGL SGC SGC GLC 0.738462 1
4 MA3 MA2 0.714286 0.9
5 U2A BGC 0.637931 1
6 GTM BGC BGC 0.626866 1
7 SGC SGC BGC 0.610169 0.921053
8 Z4R MAN 0.6 1
9 SSG SGC SSG GLC 0.590164 0.894737
10 MGL SGC BGC BGC 0.547945 1
11 SGC BGC 0.542373 0.921053
12 MA1 GLC 0.52459 0.894737
13 SGC BGC SGC BGC SGC BGC SGC BGC 0.520548 0.947368
14 GTM BGC BGC GDA 0.506494 0.808511
15 U1Y BGC 0.476923 1
16 YIO GAL 0.471698 0.894737
17 AMG 0.462963 0.842105
18 GYP 0.462963 0.842105
19 MBG 0.462963 0.842105
20 MMA 0.462963 0.842105
Similar Ligands (3D)
Ligand no: 1; Ligand: MA3 SGC SSG SSG BGC; 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 : 1OC7; Ligand: MA3; 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: 1oc7.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback