Receptor
PDB id Resolution Class Description Source Keywords
2CZL 1.55 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF MQND (TTHA1568), A MENAQUINONE BIOSYNTH ENZYME FROM THERMUS THERMOPHILUS HB8 (CYS11 MODIFIED WITH BM ERCAPTOETHANOL) THERMUS THERMOPHILUS CONSERVED HYPOTHETICAL PROTEIN TTHA1568 EXTREMELY THERMOPHBACTERIA STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF MQND (TTHA1568), A MENAQUINONE BIOSYNTHETIC ENZYME FROM THERMUS THERMOPHILUS HB8. J.STRUCT.BIOL. V. 168 575 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:601;
Part of Protein;
none;
submit data
39.098 K [K+]
TLA A:401;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
XPE A:501;
Invalid;
none;
submit data
458.541 C20 H42 O11 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CZL 1.55 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF MQND (TTHA1568), A MENAQUINONE BIOSYNTH ENZYME FROM THERMUS THERMOPHILUS HB8 (CYS11 MODIFIED WITH BM ERCAPTOETHANOL) THERMUS THERMOPHILUS CONSERVED HYPOTHETICAL PROTEIN TTHA1568 EXTREMELY THERMOPHBACTERIA STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF MQND (TTHA1568), A MENAQUINONE BIOSYNTHETIC ENZYME FROM THERMUS THERMOPHILUS HB8. J.STRUCT.BIOL. V. 168 575 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3A3U - TLA C4 H6 O6 [C@@H]([C@....
2 2CZL - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 3A3U - TLA C4 H6 O6 [C@@H]([C@....
2 2CZL - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3A3U - TLA C4 H6 O6 [C@@H]([C@....
2 2CZL - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CZL; Ligand: TLA; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 2czl.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DR1 NAP 0.02847 0.42017 1.5873
2 4DQ2 BTX 0.03043 0.41227 2.20588
3 3HVJ 705 0.02514 0.42137 3.16742
4 2J0V GDP 0.02077 0.40709 3.30189
5 3VC3 C6P 0.02344 0.41039 4.04412
6 4B2G V1N 0.02492 0.40208 4.04412
7 4EYG VNL 0.01867 0.40006 4.41176
8 4AZW SAM 0.01575 0.41084 4.77941
9 1KGZ PRP 0.01556 0.41083 4.77941
10 4R74 F6P 0.01463 0.40998 4.77941
11 4OR7 NAP 0.01175 0.42883 4.84848
12 1HXD BTN 0.01089 0.41227 6.25
13 1ZOA 140 0.02398 0.42975 7.35294
14 1NZY BCA 0.02593 0.40775 7.80669
15 1KOJ PAN 0.01304 0.42441 12.8676
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