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(-) Description

Title :  FC FRAGMENT OF HUMAN IGG IN COMPLEX WITH THE C DOMAIN OF STAPHYLOCOCCAL PROTEIN A MUTANT - Q9W
 
Authors :  L. N. Deis, T. G. Oas
Date :  04 May 15  (Deposition) - 15 Jul 15  (Release) - 29 Jul 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.28
Chains :  Asym. Unit :  A,B,C,D,E,F
Biol. Unit 1:  A,D  (1x)
Biol. Unit 2:  B,E  (1x)
Biol. Unit 3:  C,F  (1x)
Keywords :  Staphylococcal Protein A, Spa, Three-Helix-Bundle, Antibody, Igg, Protein-Binding Domain, Protein Binding (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  L. N. Deis, Q. Wu, Y. Wang, Y. Qi, K. G. Daniels, P. Zhou, T. G. Oas
Suppression Of Conformational Heterogeneity At A Protein-Protein Interface.
Proc. Natl. Acad. Sci. Usa V. 112 9028 2015
PubMed-ID: 26157136  |  Reference-DOI: 10.1073/PNAS.1424724112

(-) Compounds

Molecule 1 - IMMUNOGLOBULIN G-BINDING PROTEIN A
    Chains: A, B, C
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Taxid: 469008
    Fragment: UNP RESIDUES 270-327
    Gene: SPA
    Mutation: YES
    Organism Scientific: STAPHYLOCOCCUS AUREUS
    Organism Taxid: 1280
    Synonym: IGG-BINDING PROTEIN A,STAPHYLOCOCCAL PROTEIN A
 
Molecule 2 - IG GAMMA-3 CHAIN C REGION
    Chains: D, E, F
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: ROSETTAGAMI 2
    Expression System Taxid: 562
    Fragment: UNP RESIDUES 168-377
    Gene: IGHG3
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: HDC,HEAVY CHAIN DISEASE PROTEIN

 Structural Features

(-) Chains, Units

  123456
Asymmetric Unit : ABCDEF
Biological Unit 1 (1x): A  D  
Biological Unit 2 (1x):  B  E 
Biological Unit 3 (1x):   C  F

Summary Information (see also Sequences/Alignments below)

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

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

(-) Sites  (0, 0)

(no "Site" information available for 4ZNC)

(-) SS Bonds  (3, 3)

Asymmetric Unit
No.Residues
1D:261 -D:321
2E:261 -E:321
3F:261 -F:321

(-) Cis Peptide Bonds  (3, 3)

Asymmetric Unit
No.Residues
1Tyr D:373 -Pro D:374
2Tyr E:373 -Pro E:374
3Tyr F:373 -Pro F:374

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4ZNC)

(-) Sequences/Alignments

Asymmetric 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:53
                                                                                     
               SCOP domains ----------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhh....hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------- Transcript
                 4znc A   5 FNKEWQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAP  57
                                    14        24        34        44        54   


Chain B from PDB  Type:PROTEIN  Length:53
                                                                                     
               SCOP domains ----------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhh...hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------- Transcript
                 4znc B   5 FNKEWQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAP  57
                                    14        24        34        44        54   


Chain C from PDB  Type:PROTEIN  Length:53
                                                                                     
               SCOP domains ----------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhh...hhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------- Transcript
                 4znc C   5 FNKEWQNAFYEILHLPNLTEEQRNGFIQSLKDDPSVSKEILAEAKKLNDAQAP  57
                                    14        24        34        44        54   


Chain D from PDB  Type:PROTEIN  Length:207
                                                                                                                                                                                                                                               
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeee..hhhhhhh.....eeeeeeeee.......eeeeee..eee...ee...ee.....eeeeeeee.hhhhhhh...eeeeee.......eeeee..........eeeee..hhhhhhh.eeeeeeeeeee.....eeeeee..ee...eee...ee.....eeeeeeeeeehhhhhh...eeeeee...hhh.eeeeee... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4znc D 238 PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFKWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   247       257       267       277       287       297       307       317       327       337       347       357       367       377       387       397       407       417       427       437       


Chain E from PDB  Type:PROTEIN  Length:207
                                                                                                                                                                                                                                               
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeee..hhhhhhh.....eeeeeeeee.......eeeeee..eee...ee...ee.....eeeeeeee.hhhhhhh...eeeeee.......eeeee..........eeeee..hhhhhhh.eeeeeeeeeee.....eeeeee..ee...eee...ee.....eeeeeeeeeehhhhhh...eeeeee...hhh.eeeeee... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4znc E 238 PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFKWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   247       257       267       277       287       297       307       317       327       337       347       357       367       377       387       397       407       417       427       437       


Chain F from PDB  Type:PROTEIN  Length:195
                                                                                                                                                                                                                                   
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eee..hhhhhhh.....eeeee..........eeeeeee..eee..eeee..eeeee.hhhhhhh...eeeeeee......eeeee..........eeeee..hhhhhhh.eeeeeeeeeee.....eeeee........eee...ee.....eeeeeeeeeehhhhhh..eeeeeee...hhh.eeeeeee.. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4znc F 240 VFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFKWYVDGVEVHNAKTKPVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESSGQPENNYNTTPPMLDSDGSFFLYSKLTVDKSRWQQGNIFSCSVMHEALHNHYTQKSLSLS 444
                                   249       259       269       279       289 ||    309       319       329       339       349       359       369       379       389       399       409       419       429       439     
                                                                             291|                                                                                                                                              
                                                                              302
   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 4ZNC)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (25, 26)

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  Sites
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  Cis Peptide Bonds
    Tyr D:373 - Pro D:374   [ RasMol ]  
    Tyr E:373 - Pro E:374   [ RasMol ]  
    Tyr F:373 - Pro F:374   [ RasMol ]  
 
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  4znc
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  IGHG3_HUMAN | P01860
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  SPA_STAAU | P38507
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 Related Entries

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

UniProtKB/Swiss-Prot
        IGHG3_HUMAN | P01860: 4wwi 5m3v
        SPA_STAAU | P38507: 1bdc 1bdd 1edi 1edj 1edk 1edl 1fc2 1h0t 1lp1 1q2n 1ss1 2jwd 2m5a 2spz 3mzw 4npd 4npe 4npf 4wwi 4y4y 4y5z 4zmd 5cbn 5cbo 5coc 5ewx 5h75 5h76 5h77 5h79 5h7a 5h7b 5h7c 5h7d 5x3f 5xby

(-) Related Entries Specified in the PDB File

4wwi 4WWI CONTAINS THE WILD-TYPE C DOMAIN IN COMPLEX WITH FC FRAGMENT FROM IGG.
4zmd 4ZMD CONTAINS THE APO VERSION OF THE C DOMAIN OF STAPHYLOCOCCAL PROTEIN A MUTANT - Q9W.