Receptor
PDB id Resolution Class Description Source Keywords
3E81 1.63 Å EC: 2.-.-.- STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GA NONONATE-9-PHOSPHATE (KDN) PHOSPHATASE DEFINES A NEW CLAD WT YPE C0 HAD SUBFAMILY BACTEROIDES THETAIOTAOMICRON 2-KETO-3-DEOXYNONONIC ACID 9-PHOSPHATE PHOSPHOHYDROLASE NUCLEOTIDYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GALACTONONONATE-9-PHOSPH PHOSPHATASE DEFINES SPECIFICITY ELEMENTS IN TYPE C0 HALOALKANOATE DEHALOGENASE FAMILY MEMBERS. J.BIOL.CHEM. V. 284 1224 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:167;
A:168;
A:169;
B:168;
C:167;
C:168;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:165;
B:165;
C:165;
D:165;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PEG A:166;
B:166;
B:167;
C:166;
D:166;
D:167;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
SLB A:171;
B:171;
C:171;
D:170;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
VN4 A:170;
B:170;
C:169;
D:169;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
98.94 O3 V [O-][...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E81 1.63 Å EC: 2.-.-.- STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GA NONONATE-9-PHOSPHATE (KDN) PHOSPHATASE DEFINES A NEW CLAD WT YPE C0 HAD SUBFAMILY BACTEROIDES THETAIOTAOMICRON 2-KETO-3-DEOXYNONONIC ACID 9-PHOSPHATE PHOSPHOHYDROLASE NUCLEOTIDYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GALACTONONONATE-9-PHOSPH PHOSPHATASE DEFINES SPECIFICITY ELEMENTS IN TYPE C0 HALOALKANOATE DEHALOGENASE FAMILY MEMBERS. J.BIOL.CHEM. V. 284 1224 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SLB; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 42D 0.758621 0.875
4 18D 0.758621 0.955556
5 NGE 0.754386 0.933333
6 NGC 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 SIA CMO 0.59375 0.877551
10 CNP 0.58209 0.875
11 KDM 0.568965 0.72093
12 KDN 0.568965 0.72093
13 SIA SIA 0.565789 0.826923
14 SLB SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA SIA 0.558442 0.826923
16 SLB SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.4625 0.86
25 SID 0.459459 0.82
26 SIA SIA SIA 0.453488 0.826923
27 MUS 0.449438 0.796296
28 NXD 0.447368 0.792453
29 WIA SIA 0.447059 0.767857
30 2FG SIA 0.447059 0.796296
31 KDO 0.435484 0.704545
32 NAG SIA 0.430233 0.781818
33 BND 0.416667 0.807692
34 SKD 0.414286 0.875
35 GAL SIA SIA 0.410526 0.811321
36 E3M 0.402778 0.606061
37 4AM 0.4 0.833333
38 DAN 0.4 0.911111
Similar Ligands (3D)
Ligand no: 1; Ligand: SLB; Similar ligands found: 25
No: Ligand Similarity coefficient
1 49A 0.9691
2 DF4 0.9637
3 9AM 0.9632
4 G28 0.9440
5 GC9 0.9229
6 G39 0.9133
7 0HX 0.8987
8 9GW 0.8953
9 ST5 0.8932
10 2H8 0.8925
11 9GT 0.8899
12 9GQ 0.8829
13 R2D 0.8749
14 ST4 0.8724
15 ZMR 0.8720
16 5M8 0.8713
17 RP6 0.8712
18 EEW 0.8699
19 9GN 0.8696
20 53Q 0.8637
21 KFN 0.8620
22 NG1 0.8607
23 GYG 0.8570
24 LNV 0.8560
25 FIR 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E81; Ligand: SLB; 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: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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