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Receptor
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:301;
C:301;
D:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
5R6 B:302;
C:302;
D:302;
A:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
699.698 C35 H41 N O14 C[C@H...
FE C:300;
A:300;
D:300;
B:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Ligand no: 2; Ligand: 5R6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5R6 1 1
2 3VL 0.432432 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5equ.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1OIK AKG 2.99003
2 6GN6 MAL 3.60656
3 4XAC AKG 18.254
4 2RDQ AKG 29.1667
Pocket No.: 2; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 5equ.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5LNW RP5 1.96721
2 1OIK AKG 2.99003
3 5EO8 TFU 3.60656
4 2QX0 PH2 3.77358
5 2D6M LBT 3.77358
6 5T7I LAT NAG GAL 5.80645
7 2QL9 CIT 11.5607
8 4XAC AKG 18.254
9 4XCB AKG 31.8008
Pocket No.: 3; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 5equ.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3P3N AKG 1.96721
2 2XUM OGA 1.96721
3 5JWP AKG 1.96721
4 4B7E OGA 1.96721
5 2Y0I AKG 1.96721
6 5LUN ARG 2.62295
7 5LUN OGA 2.62295
8 2OG7 SIN 2.95082
9 5OX6 A1Z 3.57143
10 5FP3 3JI 3.92157
11 5O9W AKG 3.93443
12 4NPL AKG 4.4
13 4RFR RHN 6.40394
14 4J25 OGA 6.55022
15 3MJY FMN 6.88525
16 3MJY IJZ 6.88525
17 1UNB PN1 8.52459
18 1UNB AKG 8.52459
19 4QXB OGA 8.82353
20 4CCN OGA 8.85246
21 1H2M OGA 9.61539
22 1H2K OGA 12.1951
23 4XCB AKG 31.8008
24 4XCB HY0 31.8008
Pocket No.: 4; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 5equ.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3P3N AKG 1.96721
2 2XUM OGA 1.96721
3 5JWP AKG 1.96721
4 4B7E OGA 1.96721
5 2Y0I AKG 1.96721
6 5LUN OGA 2.62295
7 2OG7 SIN 2.95082
8 5X7Q ACR 3.60656
9 5O9W AKG 3.93443
10 4NPL AKG 4.4
11 4J25 OGA 6.55022
12 4QXB OGA 8.82353
13 1H2M OGA 9.61539
14 1H2K OGA 12.1951
Pocket No.: 5; Query (leader) PDB : 5EQU; Ligand: AKG; 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: 5equ.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 5equ.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1SJW NGV 4.16667
Pocket No.: 7; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found with APoc: 6
This union binding pocket(no: 7) in the query (biounit: 5equ.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2YIP YIO 2.89855
2 6EOZ AKG 3.93443
3 6EOZ 58K 3.93443
4 2GC0 PAN 7.44681
5 5YBN AKG 12.1311
6 5HV0 AKG 19.8157
Pocket No.: 8; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found with APoc: 17
This union binding pocket(no: 8) in the query (biounit: 5equ.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3WV6 GAL GLC 2.02703
2 6FOF LAT 2.04082
3 6FXR AKG 2.62295
4 1C1L GAL BGC 2.91971
5 3I8T LBT 3.65854
6 1A78 TDG 3.73134
7 2YMZ LAT 3.84615
8 5A7V BMA 4.2623
9 5A7V MAN 4.2623
10 4GN8 ASO 5.2459
11 4WVW SLT 6.25
12 5C5T AKG 7.01754
13 1SLT NDG GAL 7.46269
14 5DG2 GAL GLC 8.19672
15 5NFB 8VT 9.09091
16 3WUD GLC GAL 9.55882
17 5HV0 AKG 19.8157
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