Structure of PDB 4pg2 Chain A Binding Site BS02

Receptor Information
>4pg2 Chain A (length=254) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHSMRYFETAVSRPGLEEPRYISVGYVDNKEFVRFDSDAENPRYEPRAPW
MEQEGPEYWERETQKAKGQEQWFRVSLRNLLGYYNQSAGGSHTLQQMSGC
DLGSDWRLLRGYLQFAYEGRDYIALNEDLKTWTAADMAAQITRRKWEQSG
AAEHYKAYLEGECVEWLHRYLKNGNATLLRTDSPKAHVTHHPVTLRCWAL
GFYPADITLTWDMELVETRPAGDGTFQKWASVVQNYTCRVYHEGLPEPLT
LRWE
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 chain4pg2 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4pg2 The cellular redox environment alters antigen presentation.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R62 K66 E163 W167
Binding residue
(residue number reindexed from 1)		R61 K65 E162 W166
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4pg2, PDBe:4pg2, PDBj:4pg2
PDBsum4pg2
PubMed25135637
UniProtP01899|HA11_MOUSE H-2 class I histocompatibility antigen, D-B alpha chain (Gene Name=H2-D1)

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