Structure of PDB 4pyr Chain A Binding Site BS01

Receptor Information
>4pyr Chain A (length=299) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVRIGVILPAESSALGEAAAVVRSGVEAAAQVDQSAELYSVDATGDNVVE
RYRAAVADGVNVVIGPLSRDSIVKLAPSVTVPTLALNSVGREAAANPKLY
SLSLIVEGEARQLARLMRDDSRAAPLLVVGGDALSQRLGKAFADEWRAAA
GKPVRQMAFDANDMAPLLQAAGQADAVALALDVAQAARLKSALTPDVPVY
GTSQLNVGGMQPELAGVRFIDMPWFLMPAHPAVQRYPRPAAPLTRQTERL
YALGIDAYRLAVQLAGSRSGAAVRLDGVTGDLKLGRDRAFERQLPAGVM
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 chain4pyr Chain A Residue 401 [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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PDB4pyr Structure of a putative branched-chain amino acid ABC transporter from Chromobacterium violaceum ATCC 12472
Resolution1.45 Å
Binding residue
(original residue number in PDB)		L168 N169 S170 S185 L186 I187 R219
Binding residue
(residue number reindexed from 1)		L86 N87 S88 S103 L104 I105 R137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links