2024-05-11_00000188
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ligand
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8Q2O
Structure of alginate transporter AlgE from P. aeruginosa PAO1 by using Se-MAG for the the lipid cubic phase crystallization;
X-ray diffraction 1.70Å
Protein #1
479 residues (96% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDDGNNSRNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAFVDFIWRF
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDDGNNSRNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAFVDFIWRF
Non polymer #2
C8E
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
SMILES: CCCCCCCCOCCOCCOCCOCCO
CCCCCCCCOCCOCCOCCOCCO
Non polymer #3
FLC
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Non polymer #4
IRY
InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
SMILES: CCCCCC[Se]CCCCCCCC(=O)OC[C@H](CO)O
CCCCCC[Se]CCCCCCCC(=O)OC[C@H](CO)O
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
PE5
InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3
InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3
SMILES: CCOCCOCCOCCOCCOCCOCCOCCOCCO
CCOCCOCCOCCOCCOCCOCCOCCOCCO
Biounit #1
monomer
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Model
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