2025-12-27_00000034
|
medium
|
9L8V
PyrN C-terminl domain in complex with L-glutamyl-sulfamoyl-adenosine (GSA);
X-ray diffraction 2.23Å
Protein #1
546 residues (98% resolved)
Raw Sequence ...
EQAVERQGRPVLLLPSFPTPNGELHLGHLSGPFLNADACRRALLAAGERAHLLLGTVGHQSQVSAAAEAEGLSFHELAERNTDAIIEGLQAAGIDWDVFVRPSEPAYPAMATSVFESLRDRGVLVRRTEPTNYCEPCGRFLLEAFVAGHCPHCGSNQTAGIECELCALPYDDRDLVDPSCATCGAAATQRPLTRYFMPLEPLRDELSGYLRGAAMHGRLRAYTERVLAKTLPDLPVSIPAEHGIPIHVEDASGPAEQRMYSAFELAARFLTALDGFADGWEAYARQENPRTVLFFGFDNAFLRAFAFPAVLGAFTDALPLPEALVCNDFYLLDGEKFSTGRKHAVWARQAVTPANADQLRLYLAATSPDVRRRDFTTRGYAEFVTAELIGRWQRRLDDVGGRVAEHFGGLTPEAGGWHAEAERFYGQIKEFASCATLDYLPGRFKPRAVVAAACAFIRQAEDFAEVSADATPGSGIARTCAALELMALRTLAMAVWPLAPEFGRRVAAALGEDTIALEPTPRWVRPDTEIKFATDHFSPDEVVAGR
Canonical Sequence ...
EQAVERQGRPVLLLPSFPTPNGELHLGHLSGPFLNADACRRALLAAGERAHLLLGTVGHQSQVSAAAEAEGLSFHELAERNTDAIIEGLQAAGIDWDVFVRPSEPAYPAMATSVFESLRDRGVLVRRTEPTNYCEPCGRFLLEAFVAGHCPHCGSNQTAGIECELCALPYDDRDLVDPSCATCGAAATQRPLTRYFMPLEPLRDELSGYLRGAAMHGRLRAYTERVLAKTLPDLPVSIPAEHGIPIHVEDASGPAEQRMYSAFELAARFLTALDGFADGWEAYARQENPRTVLFFGFDNAFLRAFAFPAVLGAFTDALPLPEALVCNDFYLLDGEKFSTGRKHAVWARQAVTPANADQLRLYLAATSPDVRRRDFTTRGYAEFVTAELIGRWQRRLDDVGGRVAEHFGGLTPEAGGWHAEAERFYGQIKEFASCATLDYLPGRFKPRAVVAAACAFIRQAEDFAEVSADATPGSGIARTCAALELMALRTLAMAVWPLAPEFGRRVAAALGEDTIALEPTPRWVRPDTEIKFATDHFSPDEVVAGR
Non polymer #2
GSU
InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N
Non polymer #3
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Biounit #3
monomer
Download coordinates
Biounit #4
monomer
Download coordinates
Tube
Model
Reference
100%