Receptor
PDB id Resolution Class Description Source Keywords
2ZYI 2.3 Å EC: 3.1.1.3 A. FULGIDUS LIPASE WITH FATTY ACID FRAGMENT AND CALCIUM ARCHAEOGLOBUS FULGIDUS LIPASE ARCHAEOGLOBUS FULGIDUS FATTY ACID HYDROLASE
Ref.: STRUCTURE OF THE ALKALOHYPERTHERMOPHILIC ARCHAEOGLO FULGIDUS LIPASE CONTAINS A UNIQUE C-TERMINAL DOMAIN ESSENTIAL FOR LONG-CHAIN SUBSTRATE BINDING. J.MOL.BIOL. V. 390 672 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:700;
B:700;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
STE A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
284.477 C18 H36 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZYI 2.3 Å EC: 3.1.1.3 A. FULGIDUS LIPASE WITH FATTY ACID FRAGMENT AND CALCIUM ARCHAEOGLOBUS FULGIDUS LIPASE ARCHAEOGLOBUS FULGIDUS FATTY ACID HYDROLASE
Ref.: STRUCTURE OF THE ALKALOHYPERTHERMOPHILIC ARCHAEOGLO FULGIDUS LIPASE CONTAINS A UNIQUE C-TERMINAL DOMAIN ESSENTIAL FOR LONG-CHAIN SUBSTRATE BINDING. J.MOL.BIOL. V. 390 672 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2ZYI - STE C18 H36 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2ZYI - STE C18 H36 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZYI - STE C18 H36 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STE; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZYI; Ligand: STE; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 2zyi.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B2Z P5S 0.003488 0.42164 1.5625
2 4Y3O OGA 0.0124 0.42471 1.71674
3 2WA4 069 0.004665 0.43217 1.7192
4 4KBA 1QM 0.02365 0.40552 1.81269
5 2X1L MET 0.03406 0.40337 1.89474
6 5DMZ ADP 0.004877 0.41926 1.91781
7 4CCN OGA 0.01337 0.42205 1.92719
8 5BTX CMP 0.02802 0.41414 2.05479
9 5F2T PLM 0.01533 0.40002 2.27273
10 2ZV2 609 0.01208 0.41617 2.34899
11 4RYV ZEA 0.007292 0.42705 2.58065
12 2OVD DAO 0.01711 0.41859 2.74725
13 4WNP 3RJ 0.01475 0.40795 2.78746
14 4N14 WR7 0.03178 0.40942 2.86624
15 5DXI TRE 0.00405 0.42291 2.98013
16 4RF7 ARG 0.02716 0.40151 3.36842
17 4WGF HX2 0.0158 0.41406 3.41463
18 1X7D ORN 0.006269 0.41087 3.42857
19 3FHR P4O 0.007156 0.40829 3.57143
20 3WV6 GAL BGC 0.00338 0.4396 3.71622
21 5X8I SQZ 0.007466 0.41828 3.75723
22 3WLV AZA 0.01754 0.4165 3.84615
23 4RDL FUC GAL NDG FUC 0.0282 0.40616 4.22078
24 5AOA PPI 0.03673 0.41261 4.54545
25 4BCN T9N 0.01961 0.40194 4.96183
26 3LE7 ADE 0.03288 0.40137 4.98084
27 4WVW SLT 0.02123 0.40628 5.55556
28 5HZX 2GE 0.009264 0.42189 5.68182
29 4XH0 ADP 0.01286 0.42523 6.31579
30 5AIG VPR 0.02144 0.40771 6.4
31 1TMX BEZ 0.01261 0.41948 6.82594
32 2A19 ANP 0.00537 0.43363 7.42857
33 4UHF BUA 0.009179 0.41034 7.44681
34 4JH6 FCN 0.0114 0.42172 7.97101
35 3BU1 HSM 0.01911 0.40046 8.10811
36 3X01 AMP 0.0125 0.42636 8.14249
37 3VMG 9CA 0.0164 0.40571 8.69565
38 5H9Q TD2 0.01458 0.40833 9.67742
39 5NBW 8SK 0.01041 0.4153 10.2804
40 1C1L GAL BGC 0.01607 0.4174 12.4088
41 5HQ0 LZ9 0.005782 0.40903 13.0952
42 4XDA RIB 0.02088 0.40433 13.9159
43 5FU3 BGC BGC BGC 0.03882 0.40114 14.1509
44 5V3D FCN 0.005743 0.44879 15.1724
Pocket No.: 2; Query (leader) PDB : 2ZYI; Ligand: STE; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 2zyi.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CBZ ATP 0.02619 0.40185 2.95359
2 5GZ9 ANP 0.003929 0.40641 3.60656
3 5CXX FER 0.004547 0.42941 4
4 4D4U FUC GAL NAG 0.02666 0.40377 4.7619
5 5T7I LAT NAG GAL 0.01126 0.42577 5.16129
6 4ZXF 4S7 0.001396 0.43223 5.88235
7 3BF8 MLA 0.03188 0.41234 6.27451
8 5N53 8NB 0.01018 0.42755 6.66667
9 4Y8D 49J 0.01905 0.41161 8.57143
10 2OCI TYC 0.01149 0.42728 14.1732
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