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(-) Description

Title :  THE SUBSTRATE BINDING MODE AND CHEMICAL BASIS OF A REACTION SPECIFICITY SWITCH IN OXALATE DECARBOXYLASE
 
Authors :  W. Zhu, L. M. Easthon, L. A. Reinhardt, C. Tu, S. E. Cohen, D. N. Silverman K. N. Allen, N. G. J. Richards
Date :  11 Jan 16  (Deposition) - 06 Apr 16  (Release) - 27 Apr 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.60
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (6x)
Keywords :  Oxireductase, Lyase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  W. Zhu, L. M. Easthon, L. A. Reinhardt, C. Tu, S. E. Cohen, D. N. Silverman, K. N. Allen, N. G. Richards
Substrate Binding Mode And Molecular Basis Of A Specificity Switch In Oxalate Decarboxylase.
Biochemistry V. 55 2163 2016
PubMed-ID: 27014926  |  Reference-DOI: 10.1021/ACS.BIOCHEM.6B00043

(-) Compounds

Molecule 1 - OXALATE DECARBOXYLASE OXDC
    Chains: A
    EC Number: 4.1.1.2
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Gene: OXDC, YVRK, BSU33240
    Mutation: YES
    Organism Scientific: BACILLUS SUBTILIS (STRAIN 168)
    Organism Taxid: 224308
    Strain: 168

 Structural Features

(-) Chains, Units

  1
Asymmetric Unit : A
Biological Unit 1 (6x): A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 4)

Asymmetric Unit (3, 4)
No.NameCountTypeFull Name
1CO2Ligand/IonCOBALT (II) ION
2NA1Ligand/IonSODIUM ION
3OXL1Ligand/IonOXALATE ION
Biological Unit 1 (1, 6)
No.NameCountTypeFull Name
1CO-1Ligand/IonCOBALT (II) ION
2NA-1Ligand/IonSODIUM ION
3OXL6Ligand/IonOXALATE ION

(-) Sites  (4, 4)

Asymmetric Unit (4, 4)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:95 , HIS A:97 , GLU A:101 , HIS A:140 , OXL A:403 , HOH A:516binding site for residue CO A 401
2AC2SOFTWAREHIS A:272 , HIS A:274 , GLU A:279 , HIS A:318 , GLU A:332 , HOH A:503 , HOH A:524binding site for residue CO A 402
3AC3SOFTWAREMET A:84 , ARG A:92 , HIS A:95 , HIS A:97 , GLU A:101 , HIS A:140 , LEU A:153 , THR A:164 , CO A:401 , HOH A:513 , HOH A:516binding site for residue OXL A 403
4AC4SOFTWAREHOH A:543binding site for residue NA A 404

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5HI0)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 5HI0)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

(no "Exon" information available for 5HI0)

(-) Sequences/Alignments

Asymmetric Unit
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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:376
                                                                                                                                                                                                                                                                                                                                                                                                                        
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .....ee..ee.......hhhhhhhhhhhhh............eee.hhh..eee..eeeeee...........eeeeeee....eeeeee....eeeeeeeeeeeeeee.....eeeeee...eeeee.....eeeeeeeeeeeeeeee.........eehhhhhhh.hhhhhhhhhh..hhhhh........ee......hhhhh.............eee.hhh..eee..eeeeee...........eeeeeee...eeeeeee.....eeeeeee.eeeeeee.....eeeeeee..eeeee....eeeeee.....eeeeeee.......eehhhhhhh.hhhhhhhhhh.hhhhhh........eee.. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5hi0 A   6 DIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDTHNRLEKGGYAREVTVRELPISENLASVNMRLKPGAIRELHWHKEAEWAYMIYGSARVTIVDEKGRSFIDDVGEGDLWYFPSGLPHSIQALEEGAEFLLVFDDGSFSNSTFQLTDWLAHTPKEVIAANFGVTKEEISNLPGKEKYIFENQLPGSLKDDIVEGPNGEVPYPFTYRLLEQEPIESEGGKVYIADSTNFKVSKTIASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHARTFNYQAGDVGYVPFAMGHYVENIGDEPLVFLEIFKDDHYADVSLNQWLAMLPETFVQAHLDLGKDFTDVLSKEKHPVVKKK 381
                                    15        25        35        45        55        65        75        85        95       105       115       125       135       145       155       165       175       185       195       205       215       225       235       245       255       265       275       285       295       305       315       325       335       345       355       365       375
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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 5HI0)

(-) CATH Domains  (0, 0)

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(-) Pfam Domains  (0, 0)

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(-) Gene Ontology  (8, 8)

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UniProtKB/Swiss-Prot
        OXDC_BACSU | O34714: 1j58 1l3j 1uw8 2uy8 2uy9 2uya 2uyb 2v09 3s0m 4met

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