Structure of PDB 6i4v Chain A Binding Site BS02

Receptor Information
>6i4v Chain A (length=371) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTH
DEILEGLNFNLTEIPEAQIHEGFQELLRTLNQPDSQLQLTTGNGLFLSEG
LKLVDKFLEDVKKLYHSEAFTVNFGDTEEANKQINDYVEKGTQGKIVDLV
KELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKVPMMKR
LGMFNIQHSKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIIT
KFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTE
EAPLKLSKAVHKAVLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNKPFVFL
MIEQNTKSPLFMGKVVNPTQK
Ligand information
Ligand IDH3B
InChIInChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
InChIKeyTVZRAEYQIKYCPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[Si](C)(C)CCC[S](O)(=O)=O
OpenEye OEToolkits 2.0.6C[Si](C)(C)CCCS(=O)(=O)O
FormulaC6 H16 O3 S Si
Name3-trimethylsilylpropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000169748302
PDB chain6i4v Chain A Residue 402 [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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PDB6i4v Structural determinants of instability in alpha-1-antitrypsin
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Q393 K394
Binding residue
(residue number reindexed from 1)		Q370 K371
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006953 acute-phase response
GO:0007596 blood coagulation
GO:0010466 negative regulation of peptidase activity
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005794 Golgi apparatus
GO:0030134 COPII-coated ER to Golgi transport vesicle
GO:0031093 platelet alpha granule lumen
GO:0033116 endoplasmic reticulum-Golgi intermediate compartment membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6i4v, PDBe:6i4v, PDBj:6i4v
PDBsum6i4v
PubMed
UniProtP01009|A1AT_HUMAN Alpha-1-antitrypsin (Gene Name=SERPINA1)

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