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(-) Description

Title :  CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF NCLPMO9A
 
Authors :  B. Westereng, S. K. Kracun, M. Dimarogona, G. Mathiesen, W. G. T. Willat M. Sandgren, F. L. Aachmann, V. G. H. Eijsink
Date :  18 Nov 15  (Deposition) - 07 Dec 16  (Release) - 07 Dec 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.60
Chains :  Asym./Biol. Unit :  A
Keywords :  Oxidoreductase, Aa9, Lytic Polysaccharide Monooxygenase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  B. Westereng, S. K. Kracun, M. Dimarogona, G. Mathiesen, W. G. T. Willats, M. Sandgren, F. L. Aachmann, V. G. H. Eijsink
Crystal Structure Of The Catalytic Domain Of Nclpmo9A
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - POLYSACCHARIDE MONOOXYGENASE
    Chains: A
    Engineered: YES
    Expression System: KOMAGATAELLA PASTORIS
    Expression System Plasmid: PPINK-GAPHC
    Expression System Strain: PICHIAPINK STRAIN4
    Expression System Taxid: 4922
    Expression System Vector Type: PLASMID
    Fragment: AA9, UNP RESIDUES 16-238
    Organism Scientific: NEUROSPORA CRASSA
    Organism Taxid: 367110
    Other Details: PROTEIN CLEAVED AND ONLY N-TERMINAL AA9 DOMAIN CRYSTALLISED
    Strain: OR74A
    Synonym: ENDOGLUCANASE II, NCLPMO9A

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 7)

Asymmetric/Biological Unit (4, 7)
No.NameCountTypeFull Name
1CU1Ligand/IonCOPPER (II) ION
2LI1Ligand/IonLITHIUM ION
3MAN2Ligand/IonALPHA-D-MANNOSE
4SO43Ligand/IonSULFATE ION

(-) Sites  (7, 7)

Asymmetric Unit (7, 7)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:1 , HIS A:81 , GLN A:162 , TYR A:164 , SO4 A:1227BINDING SITE FOR RESIDUE CU A1226
2AC2SOFTWAREHIS A:1 , HIS A:81 , HIS A:153 , GLN A:162 , CU A:1226BINDING SITE FOR RESIDUE SO4 A1227
3AC3SOFTWARETYR A:14 , PRO A:15 , HOH A:2029BINDING SITE FOR RESIDUE SO4 A1228
4AC4SOFTWAREPRO A:182 , SER A:183 , THR A:184 , PHE A:220 , LI A:1230 , HOH A:2242BINDING SITE FOR RESIDUE SO4 A1229
5AC5SOFTWARESER A:183 , SO4 A:1229BINDING SITE FOR RESIDUE LI A1230
6AC6SOFTWAREPRO A:197 , THR A:211 , THR A:213BINDING SITE FOR MONO-SACCHARIDE MAN A1224 BOUND TO THR A 213
7AC7SOFTWARELYS A:219 , THR A:221BINDING SITE FOR MONO-SACCHARIDE MAN A1225 BOUND TO THR A 221

(-) SS Bonds  (2, 2)

Asymmetric/Biological Unit
No.Residues
1A:39 -A:167
2A:137 -A:222

(-) Cis Peptide Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1Ile A:188 -Pro A:189

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 5FOH)

(-) 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:218
                                                                                                                                                                                                                                                          
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeeee..ee....................hhhhh..............eeee...eeeeeee..................eeeeeee..........eeeeeeeeee.ee..eehhhhhhhh..eeeee.......eeeeeeeeeee..........eeeeeeeeeeee.........eee.............hhhhh............... Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5foh A   1 HTIFVQLEADGTTYPVSYGIRTPSYDGPITDVTSNDLACNGGPNPTTPSDKIITVNAGSTVKAIWRHTLTSGADDVMDASHKGPTLAYLKKVDDALTDTGIGGGWFKIQEDGYNNGQWGTSTVITNGGFQYIDIPACIPSGQYLLRAEMIALHAASSTAGAQLYMECAQINIVGGTALPSTTYSIPGIYKATDPGLLVNIYSMSPTYTIPGPAKFTCP 223
                                    10        20        30        40        50        60        70        80        90       100       110       120       130       140       150       160       170   ||  183       193       203    || 215        
                                                                                                                                                                                                       174|                           208|            
                                                                                                                                                                                                        178                            211
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  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 5FOH)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (4, 4)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
    Ile A:188 - Pro A:189   [ RasMol ]  
 

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