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(-) Description

Title :  BACKBONE MODIFICATIONS IN THE PROTEIN GB1 HELIX AND LOOPS: BETA-ACPC21, BETA-ACPC24, BETA-3-LYS28, BETA-3-LYS31, BETA-ACPC35, BETA-ACPC40
 
Authors :  Z. E. Reinert, W. S. Horne
Date :  14 Feb 14  (Deposition) - 16 Jul 14  (Release) - 25 Feb 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.30
Chains :  Asym./Biol. Unit :  A
Keywords :  Unnatural Backbone, De Novo Protein (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  Z. E. Reinert, W. S. Horne
Folding Thermodynamics Of Protein-Like Oligomers With Heterogeneous Backbones.
Chem Sci V. 5 3325 2014
PubMed-ID: 25071931  |  Reference-DOI: 10.1039/C4SC01094A

(-) Compounds

Molecule 1
    Chains: A
    Engineered: YES
    Organism Scientific: STREPTOCOCCUS SP.
    Organism Taxid: 1306
    Synthetic: YES

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (5, 10)

Asymmetric/Biological Unit (5, 10)
No.NameCountTypeFull Name
1B3K2Mod. Amino Acid(3S)-3,7-DIAMINOHEPTANOIC ACID
2GOL1Ligand/IonGLYCEROL
3NH21Mod. Amino AcidAMINO GROUP
4SO42Ligand/IonSULFATE ION
5XCP4Mod. Amino Acid(1S,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREGLU A:19 , GLU A:27 , B3K A:31 , TRP A:43 , HOH A:209binding site for residue SO4 A 101
2AC2SOFTWARETHR A:2 , HOH A:202 , HOH A:206binding site for residue SO4 A 102
3AC3SOFTWAREXCP A:40 , GLY A:41 , GLU A:56 , NH2 A:57binding site for residue GOL A 103

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (0, 0)

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

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4OZC)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:57
                                                                                        
               SCOP domains --------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeee....eeeeeee..hhhhhhhhhhhhhhhh....eeeee....eeeee.. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------- Transcript
                  4ozc A  1 DTYKLILNGKTLKGETTTEAxDAxTAExVFxQYAxDNGVxGEWTYDDATKTFTVTEx 57
                                    10        20|  |   |30|   |   40        50      |
                                               21-XCP  |  |   |    |               57-NH2
                                                  24-XCP  |   |    |                 
                                                      28-B3K  |    |                 
                                                         31-B3K    |                 
                                                             35-XCP|                 
                                                                  40-XCP
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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 4OZC)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (5, 5)

Asymmetric/Biological Unit(hide GO term definitions)

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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        SPG2_STRSG | P19909: 1fcc 1fcl 1fd6 1gb4 1gjs 1gjt 1ibx 1p7e 1p7f 1qkz 1uwx 1zxh 2gi9 2i2y 2i38 2igg 2jsv 2ju6 2khu 2khw 2kn4 2kq4 2kwd 2lum 2n9k 2n9l 2oed 2on8 2onq 2plp 2qmt 3fil 3ui3 3v3x 4oza 4ozb 4wh4 5bmg 5bmh 5bmi 5hfy 5hg2 5hi1

(-) Related Entries Specified in the PDB File

4oza 4ozb