Receptor
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T5K E:500;
C:500;
G:500;
F:500;
D:500;
B:500;
H:500;
A:500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
none;
Atoms found LESS than expected: % Diff = 0;
none;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
none;
submit data
776.471 C24 H35 N4 O19 P3 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZAH 2.24 Å EC: 2.6.1.59 CRYSTAL STRUCTURE OF SUGAR AMINOTRANSFERASE WECE WITH EXTERN ALDIMINE VII FROM ESCHERICHIA COLI K-12 ESCHERICHIA COLI (STRAIN K12) SUGAR AMINOTRANSFERASE STRUCTURAL GENOMICS PSI-BIOLOGY PRSTRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL PRODUCT BIOSYNTHESIS NATPRO TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE STEREOCHEMICAL CONTROL OF INSTALLATION IN NUCLEOTIDE SUGAR AMINOTRANSFERASES. ACS CHEM.BIOL. V. 10 2048 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZAH - T5K C24 H35 N4 O19 P3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T5K; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 T5K 1 1
2 T4K 1 1
3 TQP 0.830645 0.987805
4 7SG 0.830645 0.987805
5 TRH 0.603306 0.890244
6 1JB 0.603306 0.890244
7 18T 0.603306 0.890244
8 0FX 0.584 0.891566
9 4TG 0.578125 0.902439
10 T3Q 0.568 0.891566
11 T3F 0.568 0.891566
12 DAU 0.56 0.86747
13 MMF 0.559055 0.891566
14 FNF 0.55814 0.902439
15 1YF 0.55814 0.902439
16 T46 0.551181 0.890244
17 QDM 0.550388 0.858824
18 4RA 0.549669 0.926829
19 TDX 0.539683 0.878049
20 3R2 0.515625 0.857143
21 0N2 0.515385 0.880952
22 FUH 0.514493 0.891566
23 QUH 0.514493 0.891566
24 TTP 0.508333 0.853659
25 TYD 0.5 0.853659
26 DWN 0.496183 0.869048
27 3YN 0.496183 0.86747
28 UD0 0.475 0.915663
29 TMP 0.470085 0.841463
30 JHZ 0.467153 0.848837
31 AKM 0.467153 0.872093
32 TLO 0.461538 0.878049
33 O1G 0.456693 0.719512
34 T5A 0.42 0.852273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio4) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio4) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4ZAH; Ligand: T5K; 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: 4zah.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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