Structure of PDB 2xxl Chain B Binding Site BS01

Receptor Information

>2xxl Chain B (length=354) Species: 7227 (Drosophila melanogaster)

DYADDCTTPDGDQGQCMPFSSCRTIEERLTEAQKAGQKVPADYASYLQKA
LCGEFNGVRHFCCPSANIQHNSKVMSLFKDENFDCGNFLSQRVSNGYEVK
LSSRPWMALLRYQQFGESRFLCGGAMISERYILTAAHCVHGLQNDLYEIR
LGEHRISTEEDCRQQGRKKKCAPPVVNVGIEKHLIHEKYDARHIMHDIAL
LKLNRSVPFQKHIKPICLPITDELKEKAEQISTYFVTGWGTTENGSSSDV
LLQANVPLQPRSACSQAYRRAVPLSQLCVGGGDLQDSCKGDSGGPLQAPA
QYLGEYAPKMVEFGIVSQGVVTCGQISLPGLYTNVGEYVQWITDTMASNG
LLES

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2xxl Chain B Residue 1389

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xxl Structure-Function Analysis of Grass Clip Serine Protease Involved in Drosophila Toll Pathway Activation.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E179 R181 T184 D187
• Binding residue (residue number reindexed from 1): E153 R155 T158 D161
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H163 D223 K315 G316 D317 S318 G319
• Catalytic site (residue number reindexed from 1): H137 D197 K289 G290 D291 S292 G293
• Enzyme Commision number: 3.4.21.-

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2xxl, PDBe:2xxl, PDBj:2xxl
• PDBsum: 2xxl
• PubMed: 21310954
• UniProt: Q9VB68|GRASS_DROME Serine protease grass (Gene Name=grass)