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Receptor
PDB id Resolution Class Description Source Keywords
2VDJ 2 Å EC: 2.3.1.46 CRYSTAL STRUCTURE OF HOMOSERINE O-ACETYLTRANSFERASE (META) F BACILLUS CEREUS WITH HOMOSERINE BACILLUS CEREUS METHIONINE BIOSYNTHESIS AMINO-ACID BIOSYNTHESIS HOMOSERINETRANSACETYLASE HOMOSERINE TRANSSUCCINYLASE HOMOSERINE TRANSFERASE ACYLTRANSFERASE
Ref.: A SINGLE AMINO ACID CHANGE IS RESPONSIBLE FOR EVOLU ACYLTRANSFERASE SPECIFICITY IN BACTERIAL METHIONINE BIOSYNTHESIS. J.BIOL.CHEM. V. 283 7561 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HSE A:1298;
Valid;
none;
submit data
119.119 C4 H9 N O3 C(CO)...
SO4 A:1297;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VDJ 2 Å EC: 2.3.1.46 CRYSTAL STRUCTURE OF HOMOSERINE O-ACETYLTRANSFERASE (META) F BACILLUS CEREUS WITH HOMOSERINE BACILLUS CEREUS METHIONINE BIOSYNTHESIS AMINO-ACID BIOSYNTHESIS HOMOSERINETRANSACETYLASE HOMOSERINE TRANSSUCCINYLASE HOMOSERINE TRANSFERASE ACYLTRANSFERASE
Ref.: A SINGLE AMINO ACID CHANGE IS RESPONSIBLE FOR EVOLU ACYLTRANSFERASE SPECIFICITY IN BACTERIAL METHIONINE BIOSYNTHESIS. J.BIOL.CHEM. V. 283 7561 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VDJ - HSE C4 H9 N O3 C(CO)[C@@H....
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 2VDJ - HSE C4 H9 N O3 C(CO)[C@@H....
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 2VDJ - HSE C4 H9 N O3 C(CO)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HSE; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 HSE 1 1
2 SER 0.590909 0.821429
3 DSN 0.590909 0.821429
4 DAB 0.583333 0.766667
5 API 0.56 0.677419
6 NVA 0.56 0.666667
7 HCS 0.56 0.821429
8 DBB 0.521739 0.62069
9 2RA 0.521739 0.733333
10 ABA 0.521739 0.62069
11 GLN 0.518519 0.6875
12 DGL 0.518519 0.758621
13 GLU 0.518519 0.758621
14 DGN 0.518519 0.6875
15 GGL 0.518519 0.758621
16 C2N 0.5 0.655172
17 ORN 0.5 0.733333
18 DCY 0.5 0.75
19 CYS 0.5 0.75
20 NLE 0.482759 0.625
21 ONL 0.482759 0.6875
22 ASN 0.48 0.666667
23 ASP 0.48 0.758621
24 DAS 0.48 0.758621
25 MET 0.466667 0.617647
26 11C 0.466667 0.733333
27 MSE 0.466667 0.6
28 DLY 0.466667 0.709677
29 UN1 0.466667 0.733333
30 MED 0.466667 0.617647
31 LYS 0.451613 0.6875
32 DHH 0.451613 0.709677
33 AS2 0.444444 0.75
34 CSO 0.444444 0.676471
35 ONH 0.4375 0.648649
36 NPI 0.4375 0.709677
37 CSS 0.428571 0.625
38 6CL 0.424242 0.65625
39 2FM 0.424242 0.636364
40 26P 0.424242 0.666667
41 MEQ 0.424242 0.611111
42 HL5 0.419355 0.793103
43 CME 0.411765 0.705882
44 CIR 0.411765 0.605263
45 MF3 0.411765 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VDJ; Ligand: HSE; Similar sites found with APoc: 36
This union binding pocket(no: 1) in the query (biounit: 2vdj.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4TYO 39X None
2 2NVA PL2 1.99336
3 4OCJ NDG 2.32558
4 3V8S 0HD 2.32558
5 4EU7 COA 2.32558
6 4EU7 CIT 2.32558
7 3EUF BAU 2.32558
8 3TXO 07U 2.65781
9 4GCZ FMN 2.99003
10 3SXN COA 2.99003
11 4H8N NDP 2.99003
12 6GG9 FMN 3.08642
13 5WP4 SAH 3.32226
14 5YAK FMN 3.78788
15 1D2N ANP 4.41176
16 4H07 IPH 4.54545
17 4RPO T6C 4.93274
18 4OCV NDG 5.31561
19 3IS2 FAD 5.84416
20 5VZ0 ADP 5.98007
21 3D72 FAD 6.04027
22 2QE4 JJ3 6.45161
23 3LCV SAM 6.76157
24 3TYZ PAB 6.78571
25 3TYZ XHP 6.78571
26 3VMG 9CA 9.30233
27 3ZQ6 ADP ALF 9.5679
28 3FRH SAH 10.2767
29 3IDB ANP 11.6279
30 2QCS ANP 11.6279
31 4WB6 ATP 11.6279
32 3FHI ANP 11.6279
33 4WB7 ATP 11.6279
34 3T50 FMN 12.5
35 3KOX Z98 13.9535
36 4R38 RBF 17.8571
Pocket No.: 2; Query (leader) PDB : 2VDJ; Ligand: HSE; 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: 2vdj.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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