Receptor
PDB id Resolution Class Description Source Keywords
5IR4 1.48 Å EC: 1.13.11.- CRYSTAL STRUCTURE OF WILD-TYPE BACTERIAL LIPOXYGENASE FROM P AERUGINOSA PA-LOX WITH SPACE GROUP C2221 AT 1.48 A RESOLUTI PSEUDOMONAS AERUGINOSA NON-HEME IRON ENZYME PROTEIN-PHOSPHOLIPID COMPLEX OXIDOREDEICOSANOIDS INFECTIOUS DISEASES
Ref.: STRUCTURAL AND FUNCTIONAL BASIS OF PHOSPHOLIPID OXY ACTIVITY OF BACTERIAL LIPOXYGENASE FROM PSEUDOMONAS AERUGINOSA. BIOCHIM.BIOPHYS.ACTA V.1861 1681 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:712;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
GOL A:704;
A:706;
A:708;
A:707;
A:709;
A:705;
A:703;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FE2 A:701;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
CL A:710;
Invalid;
none;
submit data
35.453 Cl [Cl-]
ZPE A:702;
Valid;
none;
submit data
687.927 C37 H70 N O8 P CCCCC...
MG A:711;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IR4 1.48 Å EC: 1.13.11.- CRYSTAL STRUCTURE OF WILD-TYPE BACTERIAL LIPOXYGENASE FROM P AERUGINOSA PA-LOX WITH SPACE GROUP C2221 AT 1.48 A RESOLUTI PSEUDOMONAS AERUGINOSA NON-HEME IRON ENZYME PROTEIN-PHOSPHOLIPID COMPLEX OXIDOREDEICOSANOIDS INFECTIOUS DISEASES
Ref.: STRUCTURAL AND FUNCTIONAL BASIS OF PHOSPHOLIPID OXY ACTIVITY OF BACTERIAL LIPOXYGENASE FROM PSEUDOMONAS AERUGINOSA. BIOCHIM.BIOPHYS.ACTA V.1861 1681 2016
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5IR4 - ZPE C37 H70 N O8 P CCCCCCCCC=....
2 4G32 - ZPE C37 H70 N O8 P CCCCCCCCC=....
3 4G33 - ZPE C37 H70 N O8 P CCCCCCCCC=....
4 5IR5 - ZPE C37 H70 N O8 P CCCCCCCCC=....
5 5LC8 - ZPE C37 H70 N O8 P CCCCCCCCC=....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5IR4 - ZPE C37 H70 N O8 P CCCCCCCCC=....
2 4G32 - ZPE C37 H70 N O8 P CCCCCCCCC=....
3 4G33 - ZPE C37 H70 N O8 P CCCCCCCCC=....
4 5IR5 - ZPE C37 H70 N O8 P CCCCCCCCC=....
5 5LC8 - ZPE C37 H70 N O8 P CCCCCCCCC=....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5IR4 - ZPE C37 H70 N O8 P CCCCCCCCC=....
2 4G32 - ZPE C37 H70 N O8 P CCCCCCCCC=....
3 4G33 - ZPE C37 H70 N O8 P CCCCCCCCC=....
4 5IR5 - ZPE C37 H70 N O8 P CCCCCCCCC=....
5 5LC8 - ZPE C37 H70 N O8 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZPE; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 ZPE 1 1
2 L9Q 0.942857 1
3 6OU 0.942857 1
4 LOP 0.942857 1
5 PEK 0.844156 1
6 GP7 0.822785 1
7 PEH 0.814286 0.980769
8 PEF 0.814286 0.980769
9 8PE 0.814286 0.980769
10 PTY 0.814286 0.980769
11 PEV 0.814286 0.980769
12 9PE 0.802817 0.980769
13 PCW 0.782051 0.79661
14 DR9 0.746835 0.830189
15 PGV 0.746835 0.830189
16 PGW 0.734177 0.830189
17 D3D 0.734177 0.830189
18 OZ2 0.728395 0.830189
19 P50 0.728395 0.924528
20 P6L 0.716049 0.830189
21 EPH 0.715909 1
22 D21 0.706667 0.792453
23 PSC 0.697674 0.79661
24 6PL 0.666667 0.779661
25 HGX 0.666667 0.779661
26 HGP 0.666667 0.779661
27 LIO 0.666667 0.779661
28 PC7 0.666667 0.779661
29 PLD 0.666667 0.779661
30 PEE 0.662338 0.962264
31 B7N 0.658824 0.711864
32 CD4 0.636364 0.807692
33 P5S 0.625 0.888889
34 PGT 0.620253 0.811321
35 XP5 0.620253 0.779661
36 LHG 0.620253 0.811321
37 PIE 0.613636 0.666667
38 P3A 0.613636 0.796296
39 L9R 0.609195 0.728814
40 POV 0.609195 0.728814
41 T7X 0.608696 0.711864
42 6PH 0.586667 0.773585
43 7PH 0.586667 0.773585
44 3PH 0.586667 0.773585
45 LPP 0.586667 0.773585
46 F57 0.586667 0.773585
47 PCK 0.58427 0.741935
48 7P9 0.578947 0.773585
49 PX8 0.578947 0.754717
50 PX2 0.578947 0.754717
51 CN3 0.576471 0.807692
52 CN6 0.571429 0.807692
53 42H 0.569767 0.830508
54 PII 0.552941 0.694915
55 PGK 0.544444 0.767857
56 S12 0.54023 0.888889
57 PD7 0.539474 0.773585
58 NKP 0.5375 0.792453
59 PSF 0.536585 0.888889
60 3PE 0.535714 0.867925
61 PIZ 0.533333 0.694915
62 44G 0.530864 0.811321
63 CDL 0.53012 0.735849
64 DGG 0.526882 0.767857
65 DLP 0.526316 0.728814
66 8ND 0.525641 0.716981
67 M7U 0.52381 0.773585
68 PIF 0.522727 0.683333
69 IP9 0.522222 0.694915
70 PCF 0.505747 0.711864
71 PC1 0.505747 0.711864
72 MC3 0.505747 0.711864
73 52N 0.505495 0.683333
74 PIO 0.505495 0.683333
75 PDK 0.5 0.819672
76 44E 0.493506 0.773585
77 OLC 0.487179 0.603774
78 OLB 0.487179 0.603774
79 MVC 0.487179 0.603774
80 AGA 0.477273 0.777778
81 LAP 0.465116 0.813559
82 LPC 0.465116 0.813559
83 LP3 0.465116 0.813559
84 78N 0.455696 0.603774
85 78M 0.455696 0.603774
86 OPC 0.44898 0.783333
87 NKN 0.425 0.773585
88 NKO 0.425 0.773585
89 3XU 0.42 0.738462
90 CN5 0.411111 0.826923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IR4; Ligand: ZPE; 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: 5ir4.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback