Structure of PDB 2xrm Chain A Binding Site BS01

Receptor Information

>2xrm Chain A (length=301) Species: 79880 (Shouchella clausii)

SEVPMGVEIVEAPAVWRASAKGAGQIIGVIDTGCQVDHPDLAERIIGGVN
LTTDYGGDETNFSDNNGHGTHVAGTVAAAETGSGVVGVAPKADLFIIKAL
SGDGSGEMGWIAKAIRYAVDWRGPKGEQMRIITMSLGGPTDSEELHDAVK
YAVSNNVSVVCAAGNEGDGREDTNEFAYPAAYNEVIAVGAVDFDLRLSDF
TNTNEEIDIVAPGVGIKSTYLDSGYAELSGTAMAAPHVAGALALIINLAE
DAFKRSLSETEIYAQLVRRATPIGFTAQAEGNGFLTLDLVERITGQFTEK
G

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: 2xrm Chain A Residue 405

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xrm Regulation of an Intracellular Subtilisin Protease Activity by a Short Propeptide Sequence Through an Original Combined Dual Mechanism.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): D186 R188 T191 E193 T221
• Binding residue (residue number reindexed from 1): D168 R170 T173 E175 T203
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D49 H86 N183 A250
• Catalytic site (residue number reindexed from 1): D31 H68 N165 A232
• Enzyme Commision number: 3.4.21.62: subtilisin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2xrm, PDBe:2xrm, PDBj:2xrm
• PDBsum: 2xrm
• PubMed: 21307308
• UniProt: D0AB41