PDB entry 3pgh

View 3pgh on RCSB PDB site
Description: cyclooxygenase-2 (prostaglandin synthase-2) complexed with a non-selective inhibitor, flurbiprofen
Class: oxidoreductase
Keywords: peroxidase, dioxygenase, cyclooxygenase, nonsteroidal antiinflammatory drugs, inflammation, arthritis, prostaglandin, prostaglandin synthase, oxidoreductase
Deposited on 1996-12-18, released 1997-12-24
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.236
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cyclooxygenase-2
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q05769 (0-End)
      • conflict (278)
      • conflict (301)
    Domains in SCOPe 2.06: d3pgha1, d3pgha2
  • Chain 'B':
    Compound: cyclooxygenase-2
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q05769 (0-End)
      • conflict (278)
      • conflict (301)
    Domains in SCOPe 2.06: d3pghb1, d3pghb2
  • Chain 'C':
    Compound: cyclooxygenase-2
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q05769 (0-End)
      • conflict (278)
      • conflict (301)
    Domains in SCOPe 2.06: d3pghc1, d3pghc2
  • Chain 'D':
    Compound: cyclooxygenase-2
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q05769 (0-End)
      • conflict (278)
      • conflict (301)
    Domains in SCOPe 2.06: d3pghd1, d3pghd2
  • Heterogens: NAG, HEM, FLP

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3pghA (A:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pghA (A:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3pghB (B:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pghB (B:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3pghC (C:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pghC (C:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3pghD (D:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pghD (D:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehqrvcdilkqehpewgdeqlfqt
    skliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq