Structure of PDB 1ppj Chain A Binding Site BS02

Receptor Information

>1ppj Chain A (length=441) Species: 9913 (Bos taurus)

ATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEK
NNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKA
LSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFN
YLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAG
GLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLA
HVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATN
KLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLCTSATE
SEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIAE
VDARVVREVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMF

Ligand information

• Ligand ID: AZI
• InChI: InChI=1S/N3/c1-3-2/q-1
• InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [N-]=[N+]=[N-]
• Formula: N3
• Name: AZIDE ION
• ChEMBL: CHEMBL79455
• PDB chain: 1ppj Chain A Residue 4011

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ppj Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): G66 S121 L122 E123
• Binding residue (residue number reindexed from 1): G65 S120 L121 E122
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y57 E60 H61 E130 E137
• Catalytic site (residue number reindexed from 1): Y56 E59 H60 E129 E136
• Enzyme Commision number: 1.10.2.2: Transferred entry: 7.1.1.8.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

Cellular Component

• GO:0005739 mitochondrion
• GO:0005743 mitochondrial inner membrane

External links

• PDB: RCSB:1ppj, PDBe:1ppj, PDBj:1ppj
• PDBsum: 1ppj
• PubMed: 16024040
• UniProt: P31800|QCR1_BOVIN Cytochrome b-c1 complex subunit 1, mitochondrial (Gene Name=UQCRC1)