Receptor
PDB id Resolution Class Description Source Keywords
1U1W 1.35 Å EC: 5.-.-.- STRUCTURE AND FUNCTION OF PHENAZINE-BIOSYNTHESIS PROTEIN PHZ PSEUDOMONAS FLUORESCENS 2-79 PSEUDOMONAS FLUORESCENS PHENAZINE BIOSYNTHESIS ACID/BASE CATALYSIS ISOMERASE CLOSLYASE
Ref.: STRUCTURE AND FUNCTION OF THE PHENAZINE BIOSYNTHETI PHZF FROM PSEUDOMONAS FLUORESCENS. PROC.NATL.ACAD.SCI.USA V. 101 16431 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3HA A:700;
B:701;
Valid;
Valid;
none;
none;
Kd = 1.4 uM
153.135 C7 H7 N O3 c1cc(...
ACT A:703;
A:704;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL A:702;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U1W 1.35 Å EC: 5.-.-.- STRUCTURE AND FUNCTION OF PHENAZINE-BIOSYNTHESIS PROTEIN PHZ PSEUDOMONAS FLUORESCENS 2-79 PSEUDOMONAS FLUORESCENS PHENAZINE BIOSYNTHESIS ACID/BASE CATALYSIS ISOMERASE CLOSLYASE
Ref.: STRUCTURE AND FUNCTION OF THE PHENAZINE BIOSYNTHETI PHZF FROM PSEUDOMONAS FLUORESCENS. PROC.NATL.ACAD.SCI.USA V. 101 16431 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1XUA - HHA C7 H9 N O3 C1=C[C@@H]....
2 1U1X - HHA C7 H9 N O3 C1=C[C@@H]....
3 5IWE - W81 C9 H13 N O3 CCO[C@@H]1....
4 1U1W Kd = 1.4 uM 3HA C7 H7 N O3 c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3HA; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 3HA 1 1
2 3F0 0.486486 0.69697
3 3M0 0.486486 0.766667
4 DBH 0.485714 0.625
5 SAL 0.470588 0.633333
6 BE2 0.428571 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U1W; Ligand: 3HA; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 1u1w.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AJ4 SEP 0.01897 0.40814 None
2 2JAP J01 0.01225 0.40589 1.21457
3 2Z9I GLY ALA THR VAL 0.01062 0.42176 2.01342
4 4L77 CNL 0.00668 0.42363 2.34899
5 2ZE7 AMP 0.01168 0.40908 2.37154
6 3HQP OXL 0.006265 0.42213 2.68456
7 5WSY 7UC 0.01513 0.40141 3.46821
8 4IN9 SER TRP PHE PRO 0.01591 0.40592 3.61446
9 1JPA ANP 0.002906 0.44751 3.69128
10 1F06 NDP 0.0293 0.40092 3.69128
11 1F06 2NP 0.0293 0.40092 3.69128
12 4KOT CE3 0.02248 0.40967 3.7037
13 3T4L ZEA 0.009046 0.40399 4.44444
14 5CDH TLA 0.006604 0.42013 4.69799
15 4XDA RIB 0.01075 0.40433 4.69799
16 1W62 PYC 0.00002433 0.54532 5.03356
17 5O4F 8VE 0.01425 0.40269 7.38255
18 4XZ3 ACP 0.01668 0.4037 7.82609
19 4NV1 TYD 0.02485 0.40075 9.87654
20 1XXR MAN 0.01923 0.40023 11.1801
21 1GET FAD 0.04816 0.41143 12.0805
Pocket No.: 2; Query (leader) PDB : 1U1W; Ligand: 3HA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1u1w.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback