Structure of PDB 2ch9 Chain A Binding Site BS01

Receptor Information
>2ch9 Chain A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCSQDLNSRVKPGFPKTIKTNDPGVLQAARYSVEKFNNCTNDMFLFKESR
ITRALVQIVKGLKYMLEVEIGRTTCKKNQHLRLDDCDFQTNHTLKQTLSC
YSEVWVVPWLQHFEVPVLRCHHHHHH
Ligand information
Ligand IDFUL
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1
InChIKeySHZGCJCMOBCMKK-KGJVWPDLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
CACTVS 3.341C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namebeta-L-fucopyranose;
beta-L-fucose;
6-deoxy-beta-L-galactopyranose;
L-fucose;
fucose;
6-DEOXY-BETA-L-GALACTOSE
ChEMBLCHEMBL1230861
DrugBankDB03283
ZINCZINC000001532813
PDB chain2ch9 Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ch9 Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N62 C63 T64 N65
Binding residue
(residue number reindexed from 1)		N38 C39 T40 N41
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004866 endopeptidase inhibitor activity
GO:0004869 cysteine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0030414 peptidase inhibitor activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006955 immune response
GO:0010466 negative regulation of peptidase activity
GO:0031643 positive regulation of myelination
GO:1903979 negative regulation of microglial cell activation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005768 endosome
GO:0005770 late endosome
GO:0005771 multivesicular body
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ch9, PDBe:2ch9, PDBj:2ch9
PDBsum2ch9
PubMed16601115
UniProtO76096|CYTF_HUMAN Cystatin-F (Gene Name=CST7)

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