Structure of PDB 4nhz Chain A Binding Site BS01

Receptor Information
>4nhz Chain A (length=232) Species: 288000 (Bradyrhizobium sp. BTAi1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSSFPITKRWPAQHSDRIQLYSLPTPNGVKVSIMLEETGLPYEPHAIDF
GKDHQKTPEFLSLNPNGKIPAIIDPNGPGDKPLGLFESGAILQYLAEKTG
QFLPADPARRWQTLQWLHFQMGGIGPMFGQLGFFHKFAGREYEDKRPLQR
YVAESKRLLGVLEARLDGRQWIMDADYTIADIATLGWVRNLIGFYGAREL
VAFDELTHVPAWLERGLARPAVQRGLEIPKRP
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 chain4nhz Chain A Residue 301 [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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PDB4nhz Crystal Structure of Glutathione Transferase Bbta-3750 from Bradyrhizobium Sp., Target Efi-507290
Resolution1.901 Å
Binding residue
(original residue number in PDB)		T28 N30 F52 K58 K70 I71 E89 S90
Binding residue
(residue number reindexed from 1)		T26 N28 F50 K56 K68 I69 E87 S88
Annotation score4
External links