PDB entry 3ntg

View 3ntg on RCSB PDB site
Description: Crystal structure of COX-2 with selective compound 23d-(R)
Class: oxidoreductase
Keywords: cox2, cox-2, pgh2s-2, cyclooxygenase-2, dioxygenase, disulfide bond, endoplasmic reticulum, fatty acid biosynthesis, glycoprotein, heme, iron, lipid synthesis, membrane, metal-binding, microsome, oxidoreductase, peroxidase, phosphoprotein, prostaglandin biosynthesis
Deposited on 2010-07-04, released 2010-10-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-03-23, with a file datestamp of 2011-03-18.
Experiment type: XRAY
Resolution: 2.19 Å
R-factor: 0.211
AEROSPACI score: 0.37 (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, mCG_5001, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ntga1, d3ntga2
  • Chain 'B':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, mCG_5001, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ntgb1, d3ntgb2
  • Chain 'C':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, mCG_5001, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ntgc1, d3ntgc2
  • Chain 'D':
    Compound: Prostaglandin G/H synthase 2
    Species: Mus musculus [TaxId:10090]
    Gene: Cox-2, Cox2, mCG_5001, Pghs-b, Ptgs2, Tis10
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3ntgd1, d3ntgd2
  • Heterogens: HEM, NAG, BOG, D72, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ntgA (A:)
anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
vkgcpftsfnvq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ntgB (B:)
anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
vkgcpftsfnvq

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ntgC (C:)
anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
vkgcpftsfnvq

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ntgD (D:)
anpccsnpcqnrgecmstgfdqykcdctrtgfygencttpefltriklllkptpntvhyi
lthfkgvwnivnnipflrslimkyvltsrsylidspptynvhygyksweafsnlsyytra
lppvaddcptpmgvkgnkelpdskevlekvllrrefipdpqgsnmmfaffaqhfthqffk
tdhkrgpgftrglghgvdlnhiygetldrqhklrlfkdgklkyqviggevypptvkdtqv
emiypphipenlqfavgqevfglvpglmmyatiwlrehnrvcdilkqehpewgdeqlfqt
srliligetikiviedyvqhlsgyhfklkfdpellfnqqfqyqnriasefntlyhwhpll
pdtfniedqeysfkqflynnsillehgltqfvesftrqiagrvaggrnvpiavqavakas
idqsremkyqslneyrkrfslkpytsfeeltgekemaaelkalysdidvmelypallvek
prpdaifgetmvelgapfslkglmgnpicspqywkpstfggevgfkiintasiqslicnn
vkgcpftsfnvq