Structure of PDB 2nss Chain A Binding Site BS04

Receptor Information

>2nss Chain A (length=152) Species: 9796 (Equus caballus)

GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLK
TEAEMKASEDLKKHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIP
IKYLEFISDAIIHVLHSKHPGDFGADAQGAMTKALELFRNDIAAKYKELG
FQ

Ligand information

• Ligand ID: NBE
• InChI: InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
• InChIKey: NLRKCXQQSUWLCH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: O=Nc1ccccc1
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)N=O
• Formula: C6 H5 N O
• Name: NITROSOBENZENE
• ChEMBL: CHEMBL98797
• ZINC: ZINC000004097291
• PDB chain: 2nss Chain A Residue 374

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2nss Nitrosoalkane and Nitrosoarene Binding to Myoglobin and Heme Models
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): K147 G150 Q152
• Binding residue (residue number reindexed from 1): K147 G150 Q152
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.11.1.-
  1.7.-.-

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0005344 oxygen carrier activity
• GO:0016491 oxidoreductase activity
• GO:0019825 oxygen binding
• GO:0020037 heme binding
• GO:0046872 metal ion binding
• GO:0098809 nitrite reductase activity

Biological Process

• GO:0015671 oxygen transport
• GO:0019430 removal of superoxide radicals

Cellular Component

• GO:0005737 cytoplasm
• GO:0016528 sarcoplasm

External links

• PDB: RCSB:2nss, PDBe:2nss, PDBj:2nss
• PDBsum: 2nss
• UniProt: P68082|MYG_HORSE Myoglobin (Gene Name=MB)