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(-) Description

Title :  STRUCTURAL BASIS FOR ELICITING A CYTOTOXIC EFFECT IN HER2-OVEREXPRESSING CANCER CELLS VIA BINDING TO THE EXTRACELLULAR DOMAIN OF HER2
 
Authors :  C. Jost, J. Schilling, A. Plueckthun
Date :  28 Oct 12  (Deposition) - 16 Oct 13  (Release) - 30 Oct 13  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  3.20
Chains :  Asym./Biol. Unit :  A,B,C,D
Keywords :  Transferase-De Novo Protein Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  C. Jost, J. Schilling, R. Tamaskovic, M. Schwill, A. Honegger, A. Plueckthun
Structural Basis For Eliciting A Cytotoxic Effect In Her2-Overexpressing Cancer Cells Via Binding To The Extracellular Domain Of Her2.
Structure V. 21 1 2013
PubMed-ID: 24095059  |  Reference-DOI: 10.1016/J.STR.2013.08.020

(-) Compounds

Molecule 1 - DOMAIN I OF RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2
    Chains: C, A
    EC Number: 2.7.10.1
    Engineered: YES
    Expression System: SPODOPTERA FRUGIPERDA
    Expression System Cell Line: SF9
    Expression System Common: FALL ARMYWORM
    Expression System Plasmid: PFL
    Expression System Taxid: 7108
    Expression System Vector Type: BACULOVIRUS
    Fragment: N-TERMINAL EXTRACELLULAR DOMAIN I, UNP RESIDUES 24-219
    Gene: ERBB2, HER2, MLN19, NEU, NGL
    Mutation: YES
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: METASTATIC LYMPH NODE GENE 19 PROTEIN, MLN 19, PROTO- ONCOGENE NEU, PROTO-ONCOGENE C-ERBB-2, TYROSINE KINASE-TYPE CELL SURFACE RECEPTOR HER2, P185ERBB2
 
Molecule 2 - DESIGNED ANKYRIN REPEAT PROTEIN 9_26
    Chains: B, D
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PQE30
    Expression System Strain: XL1-BLUE
    Expression System Taxid: 562
    Expression System Vector Type: PLASMID
    Organism Scientific: SYNTHETIC
    Organism Taxid: 32630

 Structural Features

(-) Chains, Units

  1234
Asymmetric/Biological Unit : ABCD

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (0, 0)

(no "Ligand,Modified Residues,Ions" information available for 4HRM)

(-) Sites  (0, 0)

(no "Site" information available for 4HRM)

(-) SS Bonds  (5, 5)

Asymmetric/Biological Unit
No.Residues
1A:140 -A:170
2C:4 -C:31
3C:140 -C:170
4C:173 -C:182
5C:177 -C:190

(-) Cis Peptide Bonds  (0, 0)

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

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4HRM)

(-) 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:139
                                                                                                                                                                           
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .........hhhhhhhhhhhhhh......eeee............ee...eeee.............ee....hhhh..eeee..................eeeee......................ee......... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4hrm A   6 GTDMKLRLPSPETHLDMLRHLYQGCQVGNLELTYLPASLSFQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNALAVLDNGGLRELQLRSLTEIKGGVLIQRNPQLCYQDTILWKDIFNQLALTLIDRSCHPRC 182
                                    16        26     |||38     || 50||      61        71        81       |92    || 117       128       138       148  ||   161|| || || 
                                   14|              32||      44|  51|                                  89|    97|          126|                    151|    162| || || 
                                    16               34|       47   53                                   91    113           128                     155     165 || || 
                                                      36                                                                                                       167| || 
                                                                                                                                                                170 || 
                                                                                                                                                                  172| 
                                                                                                                                                                   181 


Chain B from PDB  Type:PROTEIN  Length:123
                                                                                                                                                           
               SCOP domains --------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhh.....hhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhhh.........hhhhhhhhhhhhhhhhhhhhhh........hhhhhhh...hhhhhhhhhh.........hhhhh Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------- Transcript
                 4hrm B  13 DLGKKLLAARAGQDDEVRILMANDVNAKITPLHLAAAYGHLEIVEVLLKHGADVNAHDWTPLHLAAKYGHLEIVEVLLKHGADVNNAGKTPLHLAAAHGHLEIVEVLLKADVNDKFGKTPFDL 152
                                  ||23        33  ||   |49        59        69       |82        92       102    || 115       125       137  ||   149   
                                 19|             36|  43|                           77|                       107|                    134|  ||         
                                  21              39   48                            81                        111                     137  ||         
                                                                                                                                          140|         
                                                                                                                                           143         


Chain C from PDB  Type:PROTEIN  Length:166
                                                                                                                                                                                                      
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ................hhhhhhhhhhh........eeeeee.....hhhhhhh.ee...eeeeee...........ee....hhhh.eeeeee...............ee...eeeee...........hhhhhh........ee..................... Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4hrm C   2 QVCGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTDASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDCHPCSPMCSRCWGESSDCQ 191
                              ||    12        22        32        42        52        62        72        82        92     ||116       126       136       146       156     ||172    || 184  ||  
                              4|                                                                                          98|                                              162||    177|    187|  
                               6                                                                                          113                                               165|     180     189  
                                                                                                                                                                             170                  


Chain D from PDB  Type:PROTEIN  Length:119
                                                                                                                                                       
               SCOP domains ----------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhh..hhhhhhh..hhhhhhhhhhh........hhhhhhh...hhhhhhhhhh...........hhhhhhhhh.hhhhhhhhhhh...........hhhhhhh..hhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------- Transcript
                 4hrm D  14 LGKKLLGITPLHLAAYGHLEIVEVLLKHGADVNAGWTPLHLAAKYGHLEIVEVLLKGADVNIDNAGKTPLHLAAAHGHLEIVEVLLKYGADVNAQDKFTPFDLAIDNGNEIAEVLQKAA 169
                                 || 50    ||  61        71   ||   85        95     ||106||     117       127       137       149       159|        
                                19|      55|                75|                  101| 107|                                 145|        159|        
                                 47       57                 80                   103  109                                  148         161
   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
    → Modified Residue (blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  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 4HRM)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (73, 73)

Asymmetric/Biological Unit(hide GO term definitions)

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  4hrm
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  ERBB2_HUMAN | P04626
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  2.7.10.1
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 Related Entries

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

UniProtKB/Swiss-Prot
        ERBB2_HUMAN | P04626: 1mfg 1mfl 1mw4 1n8z 1ovc 1qr1 1s78 2a91 2jwa 2ks1 2l4k 2n2a 3be1 3h3b 3mzw 3n85 3pp0 3rcd 3wlw 3wsq 4gfu 4hrl 4hrn 4nnd 5k33 5kwg

(-) Related Entries Specified in the PDB File

1n8z 1s78 3h3b 3mzw 4hrl 4hrn