PDB entry 1pxx

View 1pxx on RCSB PDB site
Description: crystal structure of diclofenac bound to the cyclooxygenase active site of cox-2
Class: oxidoreductase
Keywords: cox-2, cyclooxygenase, prostaglandin, diclofenac, endoperoxide, oxidoreductase
Deposited on 2003-07-07, released 2003-09-09
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.254
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: PTGS2 OR COX2 OR COX-2 OR TIS10 OR PGHS-B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1pxxa1, d1pxxa2
  • Chain 'B':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: PTGS2 OR COX2 OR COX-2 OR TIS10 OR PGHS-B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1pxxb1, d1pxxb2
  • Chain 'C':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: PTGS2 OR COX2 OR COX-2 OR TIS10 OR PGHS-B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1pxxc1, d1pxxc2
  • Chain 'D':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: PTGS2 OR COX2 OR COX-2 OR TIS10 OR PGHS-B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1pxxd1, d1pxxd2
  • Heterogens: NAG, BOG, HEM, DIF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1pxxA (A:)
    mlfravllcaalglsqaanpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefl
    triklllkptpntvhyilthfkgvwnivnnipflrslimkyvltsrsylidspptynvhy
    gyksweafsnlsyytralppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgs
    nmmfaffaqhfthqffktdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklky
    qviggevypptvkdtqvemiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcd
    ilkqehpewgdeqlfqtsrliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyq
    nriasefntlyhwhpllpdtfniedqeysfkqflynnsillehgltqfvesftrqiagrv
    aggrnvpiavqavakasidqsremkyqslneyrkrfslkpytsfeeltgekemaaelkal
    ysdidvmelypallvekprpdaifgetmvelgapfslkglmgnpicspqywkpstfggev
    gfkiintasiqslicnnvkgcpftsfnvqdpqptktatinasashsrlddinptvlikrr
    stel
    

    Sequence, based on observed residues (ATOM records): (download)
    >1pxxA (A:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1pxxB (B:)
    mlfravllcaalglsqaanpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefl
    triklllkptpntvhyilthfkgvwnivnnipflrslimkyvltsrsylidspptynvhy
    gyksweafsnlsyytralppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgs
    nmmfaffaqhfthqffktdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklky
    qviggevypptvkdtqvemiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcd
    ilkqehpewgdeqlfqtsrliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyq
    nriasefntlyhwhpllpdtfniedqeysfkqflynnsillehgltqfvesftrqiagrv
    aggrnvpiavqavakasidqsremkyqslneyrkrfslkpytsfeeltgekemaaelkal
    ysdidvmelypallvekprpdaifgetmvelgapfslkglmgnpicspqywkpstfggev
    gfkiintasiqslicnnvkgcpftsfnvqdpqptktatinasashsrlddinptvlikrr
    stel
    

    Sequence, based on observed residues (ATOM records): (download)
    >1pxxB (B:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >1pxxC (C:)
    mlfravllcaalglsqaanpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefl
    triklllkptpntvhyilthfkgvwnivnnipflrslimkyvltsrsylidspptynvhy
    gyksweafsnlsyytralppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgs
    nmmfaffaqhfthqffktdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklky
    qviggevypptvkdtqvemiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcd
    ilkqehpewgdeqlfqtsrliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyq
    nriasefntlyhwhpllpdtfniedqeysfkqflynnsillehgltqfvesftrqiagrv
    aggrnvpiavqavakasidqsremkyqslneyrkrfslkpytsfeeltgekemaaelkal
    ysdidvmelypallvekprpdaifgetmvelgapfslkglmgnpicspqywkpstfggev
    gfkiintasiqslicnnvkgcpftsfnvqdpqptktatinasashsrlddinptvlikrr
    stel
    

    Sequence, based on observed residues (ATOM records): (download)
    >1pxxC (C:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >1pxxD (D:)
    mlfravllcaalglsqaanpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefl
    triklllkptpntvhyilthfkgvwnivnnipflrslimkyvltsrsylidspptynvhy
    gyksweafsnlsyytralppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgs
    nmmfaffaqhfthqffktdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklky
    qviggevypptvkdtqvemiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcd
    ilkqehpewgdeqlfqtsrliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyq
    nriasefntlyhwhpllpdtfniedqeysfkqflynnsillehgltqfvesftrqiagrv
    aggrnvpiavqavakasidqsremkyqslneyrkrfslkpytsfeeltgekemaaelkal
    ysdidvmelypallvekprpdaifgetmvelgapfslkglmgnpicspqywkpstfggev
    gfkiintasiqslicnnvkgcpftsfnvqdpqptktatinasashsrlddinptvlikrr
    stel
    

    Sequence, based on observed residues (ATOM records): (download)
    >1pxxD (D:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq