Structure of PDB 6ixx Chain A Binding Site BS02

Receptor Information

>6ixx Chain A (length=463) Species: 686394 (Flavobacterium sp. YS-80-122)

ANGTSSAFTQVDNFSHFYDRGNHLVNGKPSFTVDQAADQLTRSGASWYDL
NGDGVINLSYTFLTSPPPGYASRGLGTFSSFSGLQKEQAKLSLESWADVA
KVTFTEGPAARGDDGHMTFANFSASNGGAAFAYLPNSSRKGESWYLINKD
YDVNKTPGEGNYGRQTLTHEIGHTLGLSHPGDYNAGNGNPSYRDAVYGED
TRAYSVMSYWSEKNTGQVFTKTGEGAYASAPLLDDIAAVQKLYGANMETR
AGDTVYGFNSTADRDYYSATSATDKLIFSVWDGGGNDTLDFSGFSQNQKI
NLAAGSFSDVGGMTGNVSIAQGVTIENAIGGSGNDLLLGNAASNILKGGA
GNDIIYGGGGADKLWGGSGSDTFVYREVSDSTPKAADTLMDFQTGLDKID
LTGITHLSGLNFVNAFTGQAGDAVVSYNQASNAGSLQVDFSGHGVADFLI
TTVGQVATYDIVA

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: 6ixx Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ixx Crystal structure of a complex between psychrophilic marine protease MP and its inhibitor LupI
• Resolution: 1.999 Å
• Binding residue (original residue number in PDB): N357 A359 N361 G374 G376 D379
• Binding residue (residue number reindexed from 1): N340 A342 N344 G357 G359 D362
• 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:6ixx, PDBe:6ixx, PDBj:6ixx
• PDBsum: 6ixx
• UniProt: D0VMS8