Structure of PDB 1k0n Chain A Binding Site BS01

Receptor Information
>1k0n Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQVELFVKAGSDGAKIGNCPFSQRLFMVLWLKGVTFNVTTVDTKRRTETV
QKLCPGGELPFLLYGTEVHTDTNKIEEFLEAVLCPPRYPKLAALNPESNT
AGLDIFAKFSAYIKNSNPALNDNLEKGLLKALKVLDNYLTSPLPEGVSQR
KFLDGNELTLADCNLLPKLHIVQVVCKKYRGFTIPEAFRGVHRYLSNAYA
REEFASTCPDDEEIELAYEQVAKALK
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 chain1k0n Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1k0n Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K13 C24 F26 L64 D76 T77
Binding residue
(residue number reindexed from 1)		K8 C19 F21 L59 D71 T72
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005254 chloride channel activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0045296 cadherin binding
Biological Process
GO:0006821 chloride transport
GO:0007165 signal transduction
GO:0034220 monoatomic ion transmembrane transport
GO:0045669 positive regulation of osteoblast differentiation
GO:0051881 regulation of mitochondrial membrane potential
GO:0070527 platelet aggregation
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0005903 brush border
GO:0016020 membrane
GO:0031965 nuclear membrane
GO:0031982 vesicle
GO:0034707 chloride channel complex
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1k0n, PDBe:1k0n, PDBj:1k0n
PDBsum1k0n
PubMed11551966
UniProtO00299|CLIC1_HUMAN Chloride intracellular channel protein 1 (Gene Name=CLIC1)

[Back to BioLiP]