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Structure paper

TitleParsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
Journal, issue, pagesTo be Published, Vol. 7
Publish dateMar 24, 2008 (structure data deposition date)
AuthorsClifton, M.C. / Rupert, P.B. / Hoette, T.M. / Raymond, K.N. / Abergel, R.J. / Strong, R.K.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.55 - 3.2 Å
Structure data

PDB-3cmp:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3hwd:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-3hwe:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3hwf:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-3hwg:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-3i0a:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3k3l:
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-3tf6:
Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-3tny:
Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-3tzs:
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-FE:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EB4:
N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)

ChemComp-GOL:
GLYCEROL

ChemComp-DBH:
2,3-DIHYDROXY-BENZOIC ACID

ChemComp-HOH:
WATER

ChemComp-RKS:
methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate

ChemComp-TC2:
N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-QED:
N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2

ChemComp-3ET:
O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine

ChemComp-2DS:
N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine

ChemComp-MCJ:
N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine

ChemComp-DBS:
2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID

ChemComp-MCK:
N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine

ChemComp-EU:
EUROPIUM ION

ChemComp-SKZ:
[2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1-

ChemComp-PHU:
1-phenylurea

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
  • bacillus cereus (bacteria)
KeywordsANTIMICROBIAL PROTEIN / Lipocalin / Siderocalin / Enterobactin / Siderophore / Iron / Glycoprotein / Pyrrolidone carboxylic acid / Secreted / TRANSPORT PROTEIN / beta-barrel / Disulfide bond / NGAL / p25 / 25 kDa alpha-2-microglobulin-related subunit of MMP-9 / Lipocalin-2 / Oncogene 24p3 / SSGCID / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / METAL TRANSPORT / schizokinen / bacillus cereus / nutrient binding protein / ABC transporter / APOPTOSIS / iron trafficking / fragment based drug design / FBDD / Fragments of Life / EBSI-01644

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