Receptor
PDB id Resolution Class Description Source Keywords
1UOZ 1.1 Å EC: 3.-.-.- STRUCTURE OF THE ENDOGLUCANASE CEL6 FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THIOCELLOPENTAOSE AT 1.1 A NGSTROM MYCOBACTERIUM TUBERCULOSIS HYDROLASE GLYCOSIDE HYDROLASE FAMILY 6
Ref.: MYCOBACTERIUM TUBERCULOSIS STRAINS POSSESS FUNCTIONAL CELLULASES. J.BIOL.CHEM. V. 280 20181 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC SSG SSG SGC A:501;
Valid;
none;
submit data
552.639 n/a S(C1O...
GOL A:506;
A:508;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:509;
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
1UOZ 1.1 Å EC: 3.-.-.- STRUCTURE OF THE ENDOGLUCANASE CEL6 FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THIOCELLOPENTAOSE AT 1.1 A NGSTROM MYCOBACTERIUM TUBERCULOSIS HYDROLASE GLYCOSIDE HYDROLASE FAMILY 6
Ref.: MYCOBACTERIUM TUBERCULOSIS STRAINS POSSESS FUNCTIONAL CELLULASES. J.BIOL.CHEM. V. 280 20181 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1UP0 - BGC BGC n/a n/a
2 1UP3 - MGL SGC BGC BGC n/a n/a
3 1UOZ - GLC SSG SSG SGC n/a n/a
4 1UP2 - IFM BGC 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 176 families.
1 1UP0 - BGC BGC n/a n/a
2 1UP3 - MGL SGC BGC BGC n/a n/a
3 1UOZ - GLC SSG SSG SGC n/a n/a
4 1UP2 - IFM BGC n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 2BOD - MGL SGC BGC BGC n/a n/a
2 2BOG - MGL SGC BGC BGC n/a n/a
3 2BOF - BGC BGC BGC BGC n/a n/a
4 1UP0 - BGC BGC n/a n/a
5 1UP3 - MGL SGC BGC BGC n/a n/a
6 1UOZ - GLC SSG SSG SGC n/a n/a
7 1UP2 - IFM BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC SSG SSG SGC; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC SSG SSG SGC 1 1
2 GLC MA1 0.914894 1
3 SGC SGC BGC 0.642857 0.971429
4 GLC SSG SGC SGC MA3 0.590164 0.894737
5 BGC SSG SSG SGC MA3 0.590164 0.894737
6 BGC SGC SGC GTM 0.590164 0.894737
7 GLC SGC 0.571429 0.971429
8 TCB 0.571429 0.971429
9 TM5 0.549296 0.944444
10 1LL 0.5 1
11 TDG 0.5 1
12 GLC SGC SGC MGL 0.486486 0.894737
13 SMD 0.460317 0.894737
14 BGC SGC BGC SGC BGC SGC BGC SGC 0.44 0.944444
15 TM6 0.44 0.944444
16 YIO 0.44 0.882353
17 WZ1 0.430769 0.894737
18 SGC BGC SGC GS1 0.417722 0.944444
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UOZ; Ligand: GLC SSG SSG SGC; Similar sites found: 14
This union binding pocket(no: 1) in the query (biounit: 1uoz.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K6V CIT 0.006179 0.43046 1.90476
2 4MNS 2AX 0.01411 0.41202 3.77358
3 2IOY RIP 0.0244 0.4071 4.24028
4 4FFG 0U8 0.01314 0.41229 4.44444
5 1YQC GLV 0.03407 0.40767 4.70588
6 4AX7 4MU BGC BGC 0.00000001768 0.66493 40.6349
7 4AVO BGC BGC BGC BGC BGC BGC 0.0000000001071 0.54531 41.5873
8 4A05 CBI 0.00000001633 0.72133 42.5397
9 4A05 CTT 0.00009892 0.49487 42.5397
10 5XCZ GLC BGC 0.000007059 0.5773 42.8571
11 3A9B CBI 0.0000004627 0.54942 43.1746
12 3A9B BGC 0.0000855 0.5232 43.1746
13 1OC7 MA3 0.00000001786 0.65665 43.8095
14 3VOI RCB 0.00003222 0.51697 47.3016
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