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(-) Description

Title :  SOD-3 AZIDE COMPLEX
 
Authors :  G. J. Hunter, C. H. Trinh, R. Bonetta, E. E. Stewart, D. E. Cabelli, T. Hun
Date :  27 Jan 15  (Deposition) - 13 Jan 16  (Release) - 13 Jan 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.77
Chains :  Asym./Biol. Unit :  A,C
Keywords :  Oxidoreductase, Manganese (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  G. J. Hunter, C. H. Trinh, R. Bonetta, E. E. Stewart, D. E. Cabelli, T. Hunter
The Structure Of The Caenorhabditis Elegans Manganese Superoxide Dismutase Mnsod-3-Azide Complex.
Protein Sci. V. 24 1777 2015
PubMed-ID: 26257399  |  Reference-DOI: 10.1002/PRO.2768

(-) Compounds

Molecule 1 - SUPEROXIDE DISMUTASE [MN] 2, MITOCHONDRIAL
    Chains: A, C
    EC Number: 1.15.1.1
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: OX326A
    Expression System Taxid: 562
    Expression System Vector: PTRC99A
    Expression System Vector Type: PLASMID
    Organism Scientific: CAENORHABDITIS ELEGANS
    Organism Taxid: 6239
    Strain: N2
    Synonym: MANGANESE SUPEROXIDE DISMUTASE

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AC

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (6, 9)

Asymmetric/Biological Unit (6, 9)
No.NameCountTypeFull Name
1ACT1Ligand/IonACETATE ION
2AZI2Ligand/IonAZIDE ION
3MLI1Ligand/IonMALONATE ION
4MN2Ligand/IonMANGANESE (II) ION
5OCS2Mod. Amino AcidCYSTEINESULFONIC ACID
6SO41Ligand/IonSULFATE ION

(-) Sites  (7, 7)

Asymmetric Unit (7, 7)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:26 , HIS A:74 , ASP A:155 , HIS A:159 , AZI A:196 , HOH A:2096BINDING SITE FOR RESIDUE MN A 195
2AC2SOFTWAREHIS A:26 , HIS A:30 , HIS A:31 , TYR A:34 , HIS A:74 , HIS A:159 , MN A:195 , HOH A:2048BINDING SITE FOR RESIDUE AZI A 196
3AC3SOFTWAREHIS C:26 , HIS C:74 , ASP C:155 , HIS C:159 , AZI C:196 , HOH C:2108BINDING SITE FOR RESIDUE MN C 195
4AC4SOFTWAREHIS C:26 , HIS C:30 , HIS C:31 , TYR C:34 , HIS C:74 , HIS C:159 , MN C:195 , HOH C:2049BINDING SITE FOR RESIDUE AZI C 196
5AC5SOFTWAREHIS A:2 , THR A:3 , HIS A:71BINDING SITE FOR RESIDUE ACT A1195
6AC6SOFTWARELYS C:51 , ASN C:53BINDING SITE FOR RESIDUE SO4 C1195
7AC7SOFTWAREASN A:167 , VAL A:168 , HOH A:2044 , HOH A:2050 , HOH A:2056 , HOH A:2184 , HOH A:2185 , HOH A:2186 , HOH A:2187 , HOH A:2188BINDING SITE FOR RESIDUE MLI A1196

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5AG2)

(-) Cis Peptide Bonds  (2, 2)

Asymmetric/Biological Unit
No.Residues
1Glu A:15 -Pro A:16
2Glu C:15 -Pro C:16

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5AG2)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5AG2)

(-) Exons   (0, 0)

(no "Exon" information available for 5AG2)

(-) 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:194
                                                                                                                                                                                                                                  
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..................hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh........hhhhhhhhhhhhhhhhhhhhhhhhhhhh....eeeeeeee....eeeeeeee........eeeeeee.hhhhhhhhhh.hhhhhhhhhh...hhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5ag2 A   1 KHTLPDLPFDYADLEPVISHEIMQLHHQKHHATYVNNLNQIEEKLHEAVSKGNLKEAIALQPALKFNGGGHINHSIFWTNLAKDGGEPSKELMDTIKRDFGSLDNLQKRLSDITIAVQGSGWGWLGYcKKDKILKIATCANQDPLEGMVPLFGIDVWEHAYYLQYKNVRPDYVHAIWKIANWKNISERFANARQ 194
                                    10        20        30        40        50        60        70        80        90       100       110       120       130       140       150       160       170       180       190    
                                                                                                                                                         128-OCS                                                              


Chain C from PDB  Type:PROTEIN  Length:195
                                                                                                                                                                                                                                   
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...................hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh........hhhhhhhhhhhhhhhhhhhhhhhhhhhh....eeeeeeee....eeeeeeee........eeeeeee.hhhhhhhhhh.hhhhhhhhhh...hhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5ag2 C   0 MKHTLPDLPFDYADLEPVISHEIMQLHHQKHHATYVNNLNQIEEKLHEAVSKGNLKEAIALQPALKFNGGGHINHSIFWTNLAKDGGEPSKELMDTIKRDFGSLDNLQKRLSDITIAVQGSGWGWLGYcKKDKILKIATCANQDPLEGMVPLFGIDVWEHAYYLQYKNVRPDYVHAIWKIANWKNISERFANARQ 194
                                     9        19        29        39        49        59        69        79        89        99       109       119       129       139       149       159       169       179       189     
                                                                                                                                                          128-OCS
   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 5AG2)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5AG2)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5AG2)

(-) Gene Ontology  (9, 9)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
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  5ag2
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  SODM2_CAEEL | P41977
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  1.15.1.1
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 Related Entries

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

UniProtKB/Swiss-Prot
        SODM2_CAEEL | P41977: 3dc5 4x9q

(-) Related Entries Specified in the PDB File

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