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(-) Description

Title :  THE X-RAY CRYSTAL STRUCTURE OF HUMAN COMPLEMENT PROTEASE C1S ZYMOGEN
 
Authors :  A. J. Perry, L. C. Wijeyewickrema, P. G. Wilmann, M. J. Gunzburg, L. D'An J. A. Irving, S. S. Pang, R. C. Duncan, J. A. Wilce, J. C. Whisstock, R. N.
Date :  03 Feb 13  (Deposition) - 24 Apr 13  (Release) - 03 Jul 13  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.66
Chains :  Asym. Unit :  A,B
Biol. Unit 1:  A  (1x)
Biol. Unit 2:  B  (1x)
Biol. Unit 3:  A (1x),B (1x)
Keywords :  C4, C2, Hydrolysis, Extracellular, Hydrolase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  A. J. Perry, L. C. Wijeyewickrema, P. G. Wilmann, M. J. Gunzburg, L. D'Andrea, J. A. Irving, S. S. Pang, R. C. Duncan, J. A. Wilce, J. C. Whisstock, R. N. Pike
A Molecular Switch Governs The Interaction Between The Huma Complement Protease C1S And Its Substrate, Complement C4.
J. Biol. Chem. V. 288 15821 2013
PubMed-ID: 23592783  |  Reference-DOI: 10.1074/JBC.M113.464545

(-) Compounds

Molecule 1 - COMPLEMENT C1S SUBCOMPONENT
    Chains: A, B
    EC Number: 3.4.21.42
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PET17B
    Expression System Strain: BL21STAR(DE3)PLYSS
    Expression System Taxid: 562
    Expression System Vector Type: PLASMID
    Fragment: CCP1-CCP2-SPZ (UNP RESIDUES 292-698)
    Gene: C1S
    Mutation: YES
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: C1 ESTERASE, COMPLEMENT COMPONENT 1 SUBCOMPONENT S, COMPLEMENT C1S SUBCOMPONENT HEAVY CHAIN, COMPLEMENT C1S SUBCOMPONENT LIGHT CHAIN

 Structural Features

(-) Chains, Units

  12
Asymmetric Unit : AB
Biological Unit 1 (1x): A 
Biological Unit 2 (1x):  B
Biological Unit 3 (1x): A (1x)B (1x)

Summary Information (see also Sequences/Alignments below)

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

(no "Ligand,Modified Residues,Ions" information available for 4J1Y)

(-) Sites  (0, 0)

(no "Site" information available for 4J1Y)

(-) SS Bonds  (14, 14)

Asymmetric Unit
No.Residues
1A:294 -A:341
2A:321 -A:354
3A:359 -A:403
4A:386 -A:421
5A:425 -A:549
6A:595 -A:618
7A:628 -A:659
8B:294 -B:341
9B:321 -B:354
10B:359 -B:403
11B:386 -B:421
12B:425 -B:549
13B:595 -B:618
14B:628 -B:659

(-) Cis Peptide Bonds  (8, 8)

Asymmetric Unit
No.Residues
1Glu A:305 -Pro A:306
2Glu A:388 -Pro A:389
3Asn A:457 -Pro A:458
4Glu A:608 -Ala A:609
5Lys A:629 -Gly A:630
6Glu B:305 -Pro B:306
7Glu B:388 -Pro B:389
8Asn B:457 -Pro B:458

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4J1Y)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4J1Y)

(-) Exons   (0, 0)

(no "Exon" information available for 4J1Y)

(-) 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:378
                                                                                                                                                                                                                                                                                                                                                                                                                          
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author .ee.......eeee.....ee...eeeeee...eeeee..eee.eeeee..............ee...........eee..........eeeeee....eee......eeee.....ee..........eee............ee.hhhhh..eeee....eeeee....eeeehhhhhh......ee....eehhhhhhhh.ee.eeeeee........hhhhh.......eeeee..................hhhhh.....eeeeee..........ee.eeeeeeee................eeeee.....hhhhh....eeeee.......eeeeeee........eeeeee...hhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 4j1y A 292 MPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPFIGGSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTSRLAKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEKRDRAVRLKAARLPVAPLRKCKEVEAYVFTPNMICAGGEKGMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENST 684
                                   301       311       321       331       341       351       361       371       381       391       401       411       421       431||     447       457       467       477       487       497       507       517       527       537       547       557       567       577       587       597||     616       626       636       646       656       666       676        
                                                                                                                                                                      432|                                                                                                                                                            598|                                                                            
                                                                                                                                                                       439                                                                                                                                                             608                                                                            


Chain B from PDB  Type:PROTEIN  Length:363
                                                                                                                                                                                                                                                                                                                                                                                                           
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .ee.......eeee.....ee...eeeeee...eeeee..eee.eeeee..............ee...........eee..........eeeeee....eee......eeee.....ee..........eee...........hhhhh..eeee....eeeee....eeeehhhhhh......eee...ee....eee.eeeeee........hhhhh.......eeeee..................hhhhh.....eeeeee........ee.eeeeeeeehhhhh........eeeee....hhhhh....eeeee.......eeeeeee........eeeeee...hhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4j1y B 292 MPCPKEDTPNSVWEPAKAKYVFRDVVQITCLDGFEVVEGRVGATSFYSTCQSNGKWSNSKLKCQPVDCGIPESIENGKVEDPESTLFGSVIRYTCEEPYYYMENGGGGEYHCAGNGSWVNEVLGPELPKCVPVCGVPREPSDADIKNFPWQVFFDNPWAGGALINEYWVLTAAHVVEGNREPTMYVGSTSVQTKSKMLTPEHVFIHPGWKLLEVPEGRTNFDNDIALVRLKDPVKMGPTVSPICLPGTSSDYNLMDGDLGLISGWGRTEDRAVRLKAARLPVAPLRKCKEVVFTPNMICAGGEKMDSCKGDSGGAFAVQDPNDKTKFYAAGLVSWGPQCGTYGLYTRVKNYVDWIMKTMQENS 683
                                   301       311       321       331       341       351       361       371       381       391       401       411       421       431|      451       461       471       481       491  ||   505       515       525       535       545       555       565       577       587       597||     619   ||  630       640       650       660       670       680   
                                                                                                                                                                     431|                                                 494|                                                                        574|                  598|         623|                                                          
                                                                                                                                                                      442                                                  499                                                                         577                   611          625
   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 4J1Y)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4J1Y)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4J1Y)

(-) Gene Ontology  (16, 16)

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  Cis Peptide Bonds
    Asn A:457 - Pro A:458   [ RasMol ]  
    Asn B:457 - Pro B:458   [ RasMol ]  
    Glu A:305 - Pro A:306   [ RasMol ]  
    Glu A:388 - Pro A:389   [ RasMol ]  
    Glu A:608 - Ala A:609   [ RasMol ]  
    Glu B:305 - Pro B:306   [ RasMol ]  
    Glu B:388 - Pro B:389   [ RasMol ]  
    Lys A:629 - Gly A:630   [ RasMol ]  
 
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  C1S_HUMAN | P09871
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  3.4.21.42
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 Related Entries

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

UniProtKB/Swiss-Prot
        C1S_HUMAN | P09871: 1elv 1nzi 4lmf 4lor 4los 4lot

(-) Related Entries Specified in the PDB File

1elv ACTIVATED C1S PROTEASE