Structure of PDB 1hnl Chain A Binding Site BS01

Receptor Information
>1hnl Chain A (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVFERCELARTLKRLGMDGYRGISLANWMCLAKWESGYNTRATNYNAGDR
STDYGIFQINSRYWCNDGKTPGAVNAAHLSCSALLQDNIADAVACAKRVV
RDPQGIRAWVAWRNRCQNRDVRQYVQGCGV
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain1hnl Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hnl Structure of a glutathionylated human lysozyme: a folding intermediate mimic in the formation of a disulfide bond.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y63 W64 A77 L79 C95 R98
Binding residue
(residue number reindexed from 1)		Y63 W64 A77 L79 C95 R98
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E35 N46 D49 S51 D53 N60
Catalytic site (residue number reindexed from 1) E35 N46 D49 S51 D53 N60
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042802 identical protein binding
Biological Process
GO:0006954 inflammatory response
GO:0019730 antimicrobial humoral response
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0035578 azurophil granule lumen
GO:0035580 specific granule lumen
GO:0070062 extracellular exosome
GO:1904724 tertiary granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hnl, PDBe:1hnl, PDBj:1hnl
PDBsum1hnl
PubMed15299791
UniProtP61626|LYSC_HUMAN Lysozyme C (Gene Name=LYZ)

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