2024-02-03_00000163
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medium
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8PPP
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP;
X-ray diffraction 2.57Å
Protein #1
504 residues (99% resolved)
Raw Sequence ...
MGYLHRVVEGLKANAGGEALVSADRRLTGAETLEEIHRTARALAAQGLRPGDGVVTLHGNGVEAVVLRIAVQLLGCRYAGLRPVFATREKANFLAEAEAAAFVYQPDMADEAAELLREVPTPRVLSLGPAPLGEDLVALAGAQSAEPVEFTADERAATAVGFTGGTTGRAKGVCRAPFDLEACLDASLTIFGEGPWRFLVCIPIADLGGEMAEWTLAAGGTVVLREDFEPADILATIGAERTTHVFCAPGWVYQLAEHPALADADLSSLTQIPYGGAPSTPARIADALEKLGRPLLVHCYGSQEGGWMTWLSAEDHVRADRYLLNSVGKALPGTEIAIRDQDGADLPVGTVGEVCVRSTMLMRGYWRLPELTAKTVRDGWLHTGDLGRLDTEGYLYLVDRAKDVIIVEAYNVYSQEVEHVLTGHPDVRYAAVVGVPDHDTTEAVYAAVVPAEGVGEIDVDELRALVRTTLGPVHEPKHLDVVDTIPTTPRGHPDKSALRTRWRA
Canonical Sequence ...
MGYLHRVVEGLKANAGGEALVSADRRLTGAETLEEIHRTARALAAQGLRPGDGVVTLHGNGVEAVVLRIAVQLLGCRYAGLRPVFATREKANFLAEAEAAAFVYQPDMADEAAELLREVPTPRVLSLGPAPLGEDLVALAGAQSAEPVEFTADERAATAVGFTGGTTGRAKGVCRAPFDLEACLDASLTIFGEGPWRFLVCIPIADLGGEMAEWTLAAGGTVVLREDFEPADILATIGAERTTHVFCAPGWVYQLAEHPALADADLSSLTQIPYGGAPSTPARIADALEKLGRPLLVHCYGSQEGGWMTWLSAEDHVRADRYLLNSVGKALPGTEIAIRDQDGADLPVGTVGEVCVRSTMLMRGYWRLPELTAKTVRDGWLHTGDLGRLDTEGYLYLVDRAKDVIIVEAYNVYSQEVEHVLTGHPDVRYAAVVGVPDHDTTEAVYAAVVPAEGVGEIDVDELRALVRTTLGPVHEPKHLDVVDTIPTTPRGHPDKSALRTRWRA
Non polymer #2
APC
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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