Chemical Components in the PDB

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HSL : Summary

Code

HSL

One-letter code

S

Molecule name

HOMOSERINE LACTONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S)-3-aminodihydrofuran-2(3H)-one
OpenEye OEToolkits 1.5.0 (3S)-3-aminooxolan-2-one

Formula

C4 H7 N O2

Formal charge

0

Molecular weight

101.104 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1OCCC1N
SMILES CACTVS 3.341 N[CH]1CCOC1=O
SMILES OpenEye OEToolkits 1.5.0 C1COC(=O)C1N
Canonical SMILES CACTVS 3.341 N[C@H]1CCOC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1COC(=O)[C@H]1N

IUPAC InChI

InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1

IUPAC InChI key

QJPWUUJVYOJNMH-VKHMYHEASA-N
HSL

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2001-11-02

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned



HSL : Atoms of Molecule

Total Number of Atoms: 14
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 1.246 1.58 -0.382
2 CA C CA S N N 0 0.344 0.769 0.447
3 C C C N N N 0 0.455 -0.693 0.069
4 O O O N N N 0 1.451 -1.367 0.187
5 CB C CB N N N 0 -1.128 1.14 0.162
6 CG C CG N N N 0 -1.793 -0.249 0.028
7 OD O OD N N N 0 -0.717 -1.127 -0.415
8 H H H N N N 0 2.186 1.295 -0.153
9 H2 H HN2 N N Y 0 1.085 1.307 -1.339
10 HA H HA N N N 0 0.573 0.908 1.503
11 HB2 H 1HB N N N 0 -1.556 1.697 0.995
12 HB3 H 2HB N N N 0 -1.214 1.702 -0.768
13 HG2 H 1HG N N N 0 -2.182 -0.58 0.992
14 HG3 H 2HG N N N 0 -2.591 -0.219 -0.715



HSL : Chemical Bonds

Total Number of Bonds: 14
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 N CA N C sing 1.47 N N
2 N H N H sing 1.01 N N
3 N H2 N H sing 1.01 N N
4 CA C C C sing 1.51 N N
5 CA CB C C sing 1.54 N N
6 CA HA C H sing 1.09 N N
7 C O C O doub 1.21 N N
8 C OD C O sing 1.34 N N
9 CB CG C C sing 1.55 N N
10 CB HB2 C H sing 1.09 N N
11 CB HB3 C H sing 1.09 N N
12 CG OD C O sing 1.46 N N
13 CG HG2 C H sing 1.09 N N
14 CG HG3 C H sing 1.09 N N



HSL : Used in PDB Entries

Total Number of PDB Entries: 10
Ligand Code PDB Entry ID Type Total Distinct
HSL 1idg Open in New Window Polymer component 1 1
HSL 1idh Open in New Window Polymer component 1 1
HSL 1kc4 Open in New Window Polymer component 1 1
HSL 1kl8 Open in New Window Polymer component 1 1
HSL 1lxg Open in New Window Polymer component 1 1
HSL 1lxh Open in New Window Polymer component 1 1
HSL 1x5v Open in New Window Polymer component 1 1
HSL 1y4e Open in New Window Polymer component 1 1
HSL 2br6 Open in New Window Bound ligand 1 1
HSL 5hjm Open in New Window Bound ligand 1 1