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(-) Description

Title :  CRYSTAL STRUCTURE OF PVHCT IN COMPLEX WITH P-COUMAROYL-COA AND PROTOCATECHUATE
 
Authors :  J. H. Pereira, N. W. Moriarty, A. Eudes, S. Yogiswara, G. Wang, V. T. Beni E. E. K. Baidoo, T. S. Lee, J. D. Keasling, D. Loque, P. D. Adams
Date :  11 Dec 15  (Deposition) - 24 Feb 16  (Release) - 23 Mar 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.90
Chains :  Asym./Biol. Unit :  A
Keywords :  Transferase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  A. Eudes, J. H. Pereira, S. Yogiswara, G. Wang, V. Teixeira Benites, E. E. Baidoo, T. S. Lee, P. D. Adams, J. D. Keasling, D. Loque
Exploiting The Substrate Promiscuity Of Hydroxycinnamoyl-Coa:Shikimate Hydroxycinnamoyl Transferase To Reduce Lignin.
Plant Cell. Physiol. V. 57 568 2016
PubMed-ID: 26858288  |  Reference-DOI: 10.1093/PCP/PCW016

(-) Compounds

Molecule 1 - HYDROXYCINNAMOYL-COA SHIKIMATE/QUINATE HYDROXYCINNAMOYLTRANSFERASE 2
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Taxid: 562
    Organism Common: SWITCHGRASS
    Organism Scientific: PANICUM VIRGATUM
    Organism Taxid: 38727

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

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

Asymmetric/Biological Unit (2, 2)
No.NameCountTypeFull Name
1DHB1Ligand/Ion3,4-DIHYDROXYBENZOIC ACID
2WCA1Ligand/IonP-COUMAROYL-COA

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREMET A:161 , GLY A:168 , PHE A:169 , ARG A:264 , SER A:266 , THR A:267 , TYR A:268 , CYS A:295 , ALA A:296 , THR A:297 , ASP A:298 , GLN A:301 , ARG A:302 , ILE A:316 , LEU A:343 , THR A:382 , SER A:383 , TRP A:384 , VAL A:385 , ARG A:386 , DHB A:502 , HOH A:606 , HOH A:608 , HOH A:632 , HOH A:642 , HOH A:648 , HOH A:726 , HOH A:729 , HOH A:859 , HOH A:878binding site for residue WCA A 501
2AC2SOFTWAREPRO A:32 , HIS A:163 , ARG A:369 , PHE A:374 , THR A:382 , PHE A:414 , WCA A:501 , HOH A:686 , HOH A:698binding site for residue DHB A 502

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (3, 3)

Asymmetric/Biological Unit
No.Residues
1Asp A:202 -Pro A:203
2Gln A:304 -Pro A:305
3Cys A:376 -Pro A:377

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 5FAN)

(-) 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    
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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:435
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .....eeeeeeee........eee..hhhhhhh...eeeeeeee..................hhhhhhhhhhhhh..hhhhhheeee.....eeeee....eeeeeeee...hhhhhh....hhhhhh................eeeeeeee....eeeeeeee....hhhhhhhhhhhhhhhhhh..........hhhhh..........hhhhh.........eeeeeeeehhhhhhhhhhh..........hhhhhhhhhhhhhhhhhh......eeeeeeeee.hhh.............eeee..eeehhhhhhhhhhhhhhhhhhhhh.hhhhhhhhhhhhhh..hhhhhh.hhhhhh...eeeee.................eeee.......eeeeee.......eeeeeeeehhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5fan A  -1 GHMKITVRGSEMVYPAAETPRRRLWNSGPDLVVPRFHTPSVYFFRRRDGEGNDLAAADGSFFDGARMRRALAEALVPFYPMAGRLARDEDGRVEIDCNAGGVLFQEADAPDATVDDFGDFAPTMELKRLIPTVEYTDDISAFPLLVVQVTHFKCGGVAIGVGMQHHVADGFSGLHFINSWADLCRGVPFAVMPYIDRSLLRARDPPTPVYPHVEYQPAPAMLSPPAAVAIFRLSRADLGRLRSQIPAREGVPRLSTYAVLAAHVWRCASLARGLPADQPTKLYCATDGRQRLQPPLPEGYFGNVIFTATPLADAGTVTAGVAEGAAVIQAALDRMDEGYCRSALDYLELQPDLSALVRGAHTFRCPNLGLTSWVRLPIHDADFGWGRPVFMGPGGIAYEGLAFVLPSANRDGSLSVAISLQAEHMEKFRKFIYDF 446
                                     8        18        28        38        48        58        68        78        88        98       108       118       128       138       148       158       168       178       188       198       208       218  ||   241       251       261       271       281       291       301       311       321       331       341       351       361       371       381       391       401       411       421       431       441     
                                                                                                                                                                                                                                                        221|                                                                                                                                                                                                                   
                                                                                                                                                                                                                                                         235
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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 5FAN)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (2, 2)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
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        R9RYW2_PANVG | R9RYW2: 5fal

(-) Related Entries Specified in the PDB File

5fal