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(-) Description

Title :  CRYSTAL STRUCTURE OF HUMAN THYROXINE-BINDING GLOBULIN COMPLEXED WITH THYROINE AT 1.55 ANGSTROM RESOLUTION
 
Authors :  X. Qi
Date :  27 Nov 14  (Deposition) - 02 Dec 15  (Release) - 02 Dec 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.55
Chains :  Asym./Biol. Unit :  A
Keywords :  Tbg, Thyroxine-Binding Globulin, Serpin, Thyroxine, Cation Pi Interaction, Hormone Release, Transport Protein (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  X. Qi, A. Zhou
Crystal Structure Of Human Thyroxine-Binding Globulin Complexed With Thyroine At 1. 55 Angstrom Resolution
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - THYROXINE-BINDING GLOBULIN
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PSUMO3
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 562
    Expression System Vector Type: PLASMID
    Gene: SERPINA7, TBG
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: SERPIN A7,T4-BINDING GLOBULIN

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (5, 6)

Asymmetric/Biological Unit (5, 6)
No.NameCountTypeFull Name
1EDO1Ligand/Ion1,2-ETHANEDIOL
2F1Ligand/IonFLUORIDE ION
3GOL2Ligand/IonGLYCEROL
4NA1Ligand/IonSODIUM ION
5T441Ligand/Ion3,5,3',5'-TETRAIODO-L-THYRONINE

(-) Sites  (6, 6)

Asymmetric Unit (6, 6)
No.NameEvidenceResiduesDescription
1AC1SOFTWARESER A:23 , GLU A:137 , PHE A:139 , LEU A:269 , LYS A:270 , ASN A:273 , LEU A:376 , GLU A:377 , ARG A:378 , HOH A:501 , HOH A:554 , HOH A:594 , HOH A:635binding site for residue T44 A 401
2AC2SOFTWARELEU A:206 , ILE A:207 , ASP A:208 , GLU A:254 , ARG A:369 , SER A:370 , HOH A:820 , HOH A:853binding site for residue GOL A 402
3AC3SOFTWAREASP A:28 , PHE A:29 , ASN A:32 , THR A:75 , GLY A:77 , MET A:303 , HOH A:654 , HOH A:724binding site for residue GOL A 403
4AC4SOFTWAREALA A:191 , GLU A:351 , NA A:406 , HOH A:776binding site for residue F A 404
5AC5SOFTWAREARG A:36 , HOH A:657 , HOH A:724binding site for residue EDO A 405
6AC6SOFTWAREALA A:191 , GLU A:351 , F A:404 , HOH A:747binding site for residue NA A 406

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4X30)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4X30)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4X30)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4X30)

(-) Exons   (0, 0)

(no "Exon" information available for 4X30)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
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SAPs(SNPs) PROSITE motifs Exons
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Chain A from PDB  Type:PROTEIN  Length:372
                                                                                                                                                                                                                                                                                                                                                                                                                    
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author hhhhhhhhhhhhhhhhhhhhhhhhh....eeehhhhhhhhhhhhhhh.hhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhh....eeeeeeeeeeee.....hhhhhhhhhhhhh.eeeee...hhhhhhhhhhhhhhhhh................eeeeeeeeeee......hhhhheeeeeee.....eeeeeeeeeeeeeeeeee....eeeeeee....eeeeeeee...hhhhhhhhhhhhhhhhhhhhheeeeeeeeee.eeeeeeeehhhhhhhhh.hhhhh.................eeeeeeeeee..........hhhhh.....eee....eeeeeee....eeeeeeee..... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 4x30 A  17 ATLYKMSSINADFAFNLYRRFTVETPDKNIFFSPVSISAALVMLSFGACCSTQTEIVETLGFNLTDTPMVEIQHGFQHLICSLNFPKKELELQIGNALFIGKHLKPLAKFLNDVKTLYETEVFSTDFSNISAAKQEINSHVEMQTKGKVVGLIQDLKPNTIMVLVNYIHFKAQWANPFDPSKTEDSSSFLIDKTTTVQVPMMHQMEQYYHLVDMELNCTVLQMDYSKNALALFVLPKEGQMESVEAAMSSKTLKKWNRLLQKGWVDLFVPKFSISATYDLGATLLKMGIQHAYSENADFSGLTEDNGLKLSNAAHKAVLHIGEKGTEAAAVPEVELTFLHPIIQIDRSFMLLILERSTRSILFLGKVVNPTE 394
                                    26        36        46        56        66        76        86        96       106       116       126       136       146       156       166       176       186       196       206       216       226       236       246       256       266       276       286       296       306       316       326       336       346     ||362       372       382       392  
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                                                                                                                                                                                                                                                                                                                                                                          359
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  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4X30)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4X30)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4X30)

(-) Gene Ontology  (6, 6)

Asymmetric/Biological Unit(hide GO term definitions)

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 Related Entries

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UniProtKB/Swiss-Prot
        THBG_HUMAN | P05543: 2ceo 2riv 2riw 2xn3 2xn5 2xn6 2xn7 4yia

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