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(-) Description

Title :  SWITCHING GFP FLUORESCENCE USING GENETICALLY ENCODED PHENYL AZIDE CHEMISTRY THROUGH TWO DIFFERENT NON-NATIVE POST-TRANSLATIONAL MODIFICATIONS ROUTES AT THE SAME POSITION.
 
Authors :  A. M. Hartley, H. L. Worthy, S. C. Reddington, P. J. Rizkallah, D. D. Jone
Date :  02 Jun 15  (Deposition) - 13 Jul 16  (Release) - 10 May 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.03
Chains :  Asym. Unit :  A,B
Biol. Unit 1:  A  (1x)
Biol. Unit 2:  B  (1x)
Keywords :  Synthetic Biology, Photocontrol, Optogenetics, Unnatural Amino Acids, Protein Fluorescence, Sfgfp, Fluorescent Protein (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  A. M. Hartley, H. L. Worthy, S. C. Reddington, P. J. Rizkallah, D. D. Jones
Molecular Basis For Functional Switching Of Gfp By Two Disparate Non-Native Post-Translational Modifications Of A Phenyl Azide Reaction Handle.
Chem Sci V. 7 6484 2016
PubMed-ID: 28451106  |  Reference-DOI: 10.1039/C6SC00944A

(-) Compounds

Molecule 1 - GREEN FLUORESCENT PROTEIN
    Chains: A, B
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Taxid: 562
    Gene: GFP
    Organism Common: JELLYFISH
    Organism Scientific: AEQUOREA VICTORIA
    Organism Taxid: 6100

 Structural Features

(-) Chains, Units

  12
Asymmetric Unit : AB
Biological Unit 1 (1x): A 
Biological Unit 2 (1x):  B

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 10)

Asymmetric Unit (3, 10)
No.NameCountTypeFull Name
1CRO2Mod. Amino Acid{2-[(1R,2R)-1-AMINO-2-HYDROXYPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
2HOX2Mod. Amino Acid4-AMINO-L-PHENYLALANINE
3SO46Ligand/IonSULFATE ION
Biological Unit 1 (3, 5)
No.NameCountTypeFull Name
1CRO1Mod. Amino Acid{2-[(1R,2R)-1-AMINO-2-HYDROXYPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
2HOX1Mod. Amino Acid4-AMINO-L-PHENYLALANINE
3SO43Ligand/IonSULFATE ION
Biological Unit 2 (3, 5)
No.NameCountTypeFull Name
1CRO1Mod. Amino Acid{2-[(1R,2R)-1-AMINO-2-HYDROXYPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
2HOX1Mod. Amino Acid4-AMINO-L-PHENYLALANINE
3SO43Ligand/IonSULFATE ION

(-) Sites  (10, 10)

Asymmetric Unit (10, 10)
No.NameEvidenceResiduesDescription
01AC1SOFTWAREGLU A:95 , THR A:97 , TYR A:182 , GLN A:183 , GLN A:184 , HOH A:466 , HOH A:512binding site for residue SO4 A 301
02AC2SOFTWAREGLY A:24 , HIS A:25 , LYS A:26 , LYS B:214binding site for residue SO4 A 302
03AC3SOFTWARELYS A:107 , THR A:108 , ARG A:109 , GLU A:124 , LYS A:126binding site for residue SO4 A 303
04AC4SOFTWAREGLU B:95 , ARG B:96 , THR B:97 , TYR B:182 , GLN B:184binding site for residue SO4 B 301
05AC5SOFTWARELYS B:131binding site for residue SO4 B 302
06AC6SOFTWARESER A:147 , HIS B:77 , THR B:230binding site for residue SO4 B 303
07AC7SOFTWARECRO A:66 , ASN A:146 , SER A:147 , VAL A:150 , LYS A:166 , ARG A:168 , TYR A:200 , LEU A:201 , SER A:202 , THR A:203 , HOH A:419 , HOH A:444 , HOH A:531 , GLY B:228 , HIS B:231 , HOH B:488binding site for Ligand residues HOX A 148 through ASN A 149 bound to SER A 147
08AC8SOFTWAREGLY A:228 , THR A:230 , HOH A:500 , CRO B:66 , ASN B:146 , SER B:147 , VAL B:150 , LYS B:166 , ARG B:168 , TYR B:200 , LEU B:201 , SER B:202 , THR B:203 , HOH B:406 , HOH B:481 , HOH B:537binding site for Ligand residues HOX B 148 through ASN B 149 bound to SER B 147
09AC9SOFTWARELEU B:44 , LEU B:60 , VAL B:61 , THR B:62 , THR B:63 , VAL B:68 , GLN B:69 , GLN B:94 , ARG B:96 , VAL B:112 , ASN B:121 , PHE B:145 , HOX B:148 , VAL B:150 , THR B:203 , GLU B:222 , HOH B:434 , HOH B:439binding site for Di-peptide LEU B 64 and CRO B 66
10AD1SOFTWARELEU B:42 , LEU B:44 , VAL B:61 , THR B:62 , THR B:63 , LEU B:64 , GLN B:69 , CYS B:70 , PHE B:71 , GLN B:94 , ARG B:96 , VAL B:112 , ASN B:121 , PHE B:145 , HOX B:148 , VAL B:150 , THR B:203 , GLU B:222 , HOH B:434 , HOH B:439 , HOH B:532binding site for Di-peptide CRO B 66 and VAL B 68

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5BT0)

(-) Cis Peptide Bonds  (2, 2)

Asymmetric Unit
No.Residues
1Met A:88 -Pro A:89
2Met B:88 -Pro B:89

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5BT0)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5BT0)

(-) Exons   (0, 0)

(no "Exon" information available for 5BT0)

(-) Sequences/Alignments

Asymmetric 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:231
                                                                                                                                                                                                                                                                       
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhh..eeeeeeeeeee..eeeeeeeeeeee....eeeeeeee.......hhhhhh....hhhhh..hhhhhhhhhhhhh....eeeeeeeee....eeeeeeeeeee..eeeeeeeeeee..................eeeeeeee......eeeeeeeeee.....eeeeeeeeeeee...........eeeeeeeeee........eeeeeeeeeee....... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5bt0 A   2 SKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLxVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNFNSxNVYITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSVLSKDPNEKRDHMVLLEFVTAAGITHGMD 234
                                    11        21        31        41        51        61  |||   73        83        93       103       113       123       133       143    |  153       163       173       183       193       203       213       223       233 
                                                                                         64||                                                                             148-HOX                                                                                  
                                                                                          66-CRO                                                                                                                                                                   
                                                                                           68                                                                                                                                                                      


Chain B from PDB  Type:PROTEIN  Length:231
                                                                                                                                                                                                                                                                       
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhh..eeeeeeeeeee..eeeeeeeeeeeehhh.eeeeeeee.......hhhhhh....hhhhh..hhhhhhhhhhhhh....eeeeeeeee....eeeeeeeeeee..eeeeeeeeeee..................eeeeeeeeehhhheeeeeeeeeee.....eeeeeeeeeeee...........eeeeeeeeee........eeeeeeeeeee....... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5bt0 B   2 SKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLxVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNFNSxNVYITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSVLSKDPNEKRDHMVLLEFVTAAGITHGMD 234
                                    11        21        31        41        51        61  |||   73        83        93       103       113       123       133       143    |  153       163       173       183       193       203       213       223       233 
                                                                                         64||                                                                             148-HOX                                                                                  
                                                                                          66-CRO                                                                                                                                                                   
                                                                                           68
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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 5BT0)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5BT0)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5BT0)

(-) Gene Ontology  (0, 0)

Asymmetric Unit(hide GO term definitions)
    (no "Gene Ontology" information available for 5BT0)

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        A0A059PIQ0_A | A0A059PIQ0: 4xgy 4zf3 5btt 5dy6

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