PDB entry 3mqe

View 3mqe on RCSB PDB site
Description: Structure of SC-75416 bound at the COX-2 active site
Deposited on 2010-04-28, released 2010-10-27
The last revision was dated 2010-12-01, with a file datestamp of 2010-11-26.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: 0.241
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed):
  • Heterogens: HEM, NAG, BOG, 416, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.07, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >3mqeA (A:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records):
    >3mqeA (A:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3mqeB (B:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records):
    >3mqeB (B:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'C':
    Sequence, based on SEQRES records:
    >3mqeC (C:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records):
    >3mqeC (C:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq
    

  • Chain 'D':
    Sequence, based on SEQRES records:
    >3mqeD (D:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvqdpqptktatinasashsrlddinptvlikrrstel
    

    Sequence, based on observed residues (ATOM records):
    >3mqeD (D:)
    anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
    lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
    lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
    tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
    emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
    srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
    pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
    idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
    prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
    vkgcpftsfnvq