Structure of PDB 3u1r Chain A Binding Site BS09

Receptor Information

>3u1r Chain A (length=456) Species: 686394 (Flavobacterium sp. YS-80-122)

GTSSAFTQVDNFSHFYDRGNHLVNGKPSFTVDQAADQLTRSGASWYDLNG
DGVINLSYTFLTSPPPGYASRGLGTFSSFSGLQKEQAKLSLESWADVAKV
TFTEGPAARGDDGHMTFANFSASNGGAAFAYLPNSSRKGESWYLINKDYD
VNKTPGEGNYGRQTLTHEIGHTLGLSHPGDYNPSYRDAVYGEDTRAYSVM
SYWSEKNTGQVFTKTGEGAYASAPLLDDIAAVQKLYGANMETRAGDTVYG
FNSTADRDYYSATSATDKLIFSVWDGGGNDTLDFSGFSQNQKINLAAGSF
SDVGGMTGNVSIAQGVTIENAIGGSGNDLLLGNAASNILKGGAGNDIIYG
GGGADKLWGGSGSDTFVYREVSDSTPKAADTLMDFQTGLDKIDLTGITHL
SGLNFVNAFTGQAGDAVVSYNQASNAGSLQVDFSGHGVADFLITTVGQVA
TYDIVA

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: 3u1r Chain A Residue 707

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3u1r Structure analysis of a new psychrophilic marine protease.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G384 G386 D388 Q410 D414
• Binding residue (residue number reindexed from 1): G360 G362 D364 Q386 D390
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0005509 calcium ion binding
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0031012 extracellular matrix

External links

• PDB: RCSB:3u1r, PDBe:3u1r, PDBj:3u1r
• PDBsum: 3u1r
• PubMed: 22132082
• UniProt: D0VMS8