Structure of PDB 6ntt Chain B Binding Site BS01

Receptor Information
>6ntt Chain B (length=176) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFVLDNEGNPLENGGTYYILSDITAFGGIRAAPTGNERCPLTVVQSRNEL
DKGIGTIISSPYRIRFIAEGHPLSLKFDSFAVIMLCVGIPTEWSVVEDLP
EGPAVKIGENKDAMDGWFRLERVSDDEFNNYKLVFCPQQAEDKCGDIGIS
IDHDDGTRRLVVSKNKPLVVQFQKLD
Ligand information
Ligand ID21D
InChIInChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKeyXTEGVFVZDVNBPF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1cccc2c1cccc2[S](O)(=O)=O
OpenEye OEToolkits 1.7.6c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
FormulaC10 H8 O6 S2
Namenaphthalene-1,5-disulfonic acid
ChEMBL
DrugBank
ZINCZINC000001605332
PDB chain6ntt Chain B Residue 201 [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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PDB6ntt Lattice Interactions in Crystals of Soybean Trypsin Inhibitor (Kunitz) Produced by Inclusion of 1,5-Disulfonylnaphthalene
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R30 S46 R47 N48 D51
Binding residue
(residue number reindexed from 1)		R30 S46 R47 N48 D51
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004866 endopeptidase inhibitor activity

View graph for
Molecular Function
External links
PDB RCSB:6ntt, PDBe:6ntt, PDBj:6ntt
PDBsum6ntt
PubMed
UniProtP01070|ITRA_SOYBN Trypsin inhibitor A (Gene Name=KTI3)

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