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(-) Description

Title :  STRUCTURE OF HUMAN ENOLASE 2 IN COMPLEX WITH PHOSPHONOACETOHYDROXAMATE
 
Authors :  P. G. Leonard, D. Maxwell, B. Czako, F. L. Muller
Date :  13 Apr 15  (Deposition) - 13 Apr 16  (Release) - 23 Nov 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.31
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Enolase Gamma, Glycolysis, Neuron Specific Enolase, Carbohydrate Metabolism, Lyase-Lyase Inhibitor Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  P. G. Leonard, N. Satani, D. Maxwell, Y. H. Lin, N. Hammoudi, Z. Peng, F. Pisaneschi, T. M. Link, G. R. Lee, D. Sun, B. A. Prasad, M. E. Di Francesco, B. Czako, J. M. Asara, Y. A. Wang, W. Bornmann, R. A. Depinho, F. L. Muller
Sf2312 Is A Natural Phosphonate Inhibitor Of Enolase.
Nat. Chem. Biol. V. 12 1053 2016
PubMed-ID: 27723749  |  Reference-DOI: 10.1038/NCHEMBIO.2195

(-) Compounds

Molecule 1 - GAMMA-ENOLASE
    Chains: A, B
    EC Number: 4.2.1.11
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21
    Expression System Plasmid: PJL-H6
    Expression System Strain: ROSETTA2 PLYSS
    Expression System Taxid: 511693
    Expression System Vector Type: PLASMID
    Gene: ENO2
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: 2-PHOSPHO-D-GLYCERATE HYDRO-LYASE, ENOLASE 2, NEURAL ENOLASE, NEURON-SPECIFIC ENOLASE, NSE

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 6)

Asymmetric/Biological Unit (2, 6)
No.NameCountTypeFull Name
1MG4Ligand/IonMAGNESIUM ION
2PAH2Ligand/IonPHOSPHONOACETOHYDROXAMIC ACID

(-) Sites  (6, 6)

Asymmetric Unit (6, 6)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREASP A:245 , GLU A:293 , ASP A:318 , PAH A:503 , HOH A:635binding site for residue MG A 501
2AC2SOFTWARESER A:40 , PAH A:503 , HOH A:633 , HOH A:702binding site for residue MG A 502
3AC3SOFTWAREGLY A:38 , ALA A:39 , SER A:40 , GLN A:166 , GLU A:167 , ASP A:245 , GLU A:293 , ASP A:318 , LEU A:341 , LYS A:343 , ARG A:372 , SER A:373 , LYS A:394 , MG A:501 , MG A:502 , HOH A:633 , HOH A:641 , HOH A:702 , HOH A:706binding site for residue PAH A 503
4AC4SOFTWAREASP B:245 , GLU B:293 , ASP B:318 , PAH B:503 , HOH B:608binding site for residue MG B 501
5AC5SOFTWARESER B:40 , PAH B:503 , HOH B:630 , HOH B:695binding site for residue MG B 502
6AC6SOFTWAREGLY B:38 , ALA B:39 , SER B:40 , GLN B:166 , GLU B:167 , ASP B:245 , GLU B:293 , ASP B:318 , LEU B:341 , LYS B:343 , ARG B:372 , SER B:373 , LYS B:394 , MG B:501 , MG B:502 , HOH B:630 , HOH B:670 , HOH B:695 , HOH B:790binding site for residue PAH B 503

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4ZA0)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4ZA0)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4ZA0)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4ZA0)

(-) Exons   (0, 0)

(no "Exon" information available for 4ZA0)

(-) 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:434
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ....eeeeeeee.....eeeeeeeee..eeeeee.....................hhhhh.hhhhhhhhhhhhhhhhhh......hhhhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhh.......ee.eeeee............eeeee.....hhhhhhhhhhhhhhhhhhhhhhhhhhhhhh............hhhhhhhhhhhhhhhhh.....eeeee.hhhh.ee..ee........hhhhh.hhhhhhhhhhhhhhhh.eeeee......hhhhhhhhhh....eeee......hhhhhhhhhhhh...eeeehhhhhhhhhhhhhhhhhhhhh..eeeee........hhhhhhhhhh...eee.....hhhhhhhhhhhhhhhhhhhhhh..hhhhh.hhhhh Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4za0 A   1 MSIEKIWAREILDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRDGDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGTENKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAFNVINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKYGKDATNVGDEGGFAPNILENSEALELVKEAIDKAGYTEKIVIGMDVAASEFYRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDDWAAWSKFTANVGIQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSVTEAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRSERLAKYNQLMRIEEELGDEARFAGHNFRNPSVL 434
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Chain B from PDB  Type:PROTEIN  Length:432
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author ....eeeeeeee.....eeeeeeeee..eeeeee.....................hhhhh.hhhhhhhhhhhhhhhhhhhh....hhhhhhhhhhhhhh.......hhhhhhhhhhhhhhhhhhhh..hhhhhhhhhhh.......ee.eeeee............eeeee.....hhhhhhhhhhhhhhhhhhhhhhhhhhhhhh............hhhhhhhhhhhhhhhhh.....eeeee.hhhh.ee..ee........hhhhh.hhhhhhhhhhhhhhhh.eeeee......hhhhhhhhhhh...eeee......hhhhhhhhhhh....eeeehhhhhhhhhhhhhhhhhhhhh..eeeee........hhhhhhhhhh...eee.....hhhhhhhhhhhhhhhhhhhhhh..hhhhh.... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 4za0 B   1 MSIEKIWAREILDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRDGDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGTENKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAFNVINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKYGKDATNVGDEGGFAPNILENSEALELVKEAIDKAGYTEKIVIGMDVAASEFYRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDDWAAWSKFTANVGIQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSVTEAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRSERLAKYNQLMRIEEELGDEARFAGHNFRNPS 432
                                    10        20        30        40        50        60        70        80        90       100       110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       270       280       290       300       310       320       330       340       350       360       370       380       390       400       410       420       430
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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 4ZA0)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4ZA0)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4ZA0)

(-) Gene Ontology  (20, 20)

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  4za0
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 Related Entries

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

UniProtKB/Swiss-Prot
        ENOG_HUMAN | P09104: 1te6 2akm 2akz 3ucc 3ucd 3uje 3ujf 3ujr 3ujs 4zcw 5eu9 5idz

(-) Related Entries Specified in the PDB File

4zcw HUMAN ENOLASE 2 IN COMPLEX WITH SF2312