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(-) Description

Title :  CRYSTAL STRUCTURE OF MEPR LIKE PROTEIN COMPLEXED WITH PSEUDOLIGANDS
 
Authors :  M. Hong, M. I. Kim, M. U. Cho
Date :  21 Jan 15  (Deposition) - 10 Feb 16  (Release) - 10 Feb 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.16
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (4x)
Keywords :  Winged Helix Turn Helix Transcription Factor, Transcription (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  M. Hong, M. I. Kim, M. U. Cho
Crystal Structure Of Mepr Like Protein Complexed With Pseudoligands
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - TRANSCRIPTIONAL REGULATOR, MARR FAMILY
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Plasmid: PET49B
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Fragment: UNP RESIDUES 5-146
    Gene: BC_0657
    Organism Scientific: BACILLUS CEREUS (STRAIN ATCC 14579 / DSM 31)
    Organism Taxid: 226900
    Strain: ATCC 14579 / DSM 31
    Synonym: MEPR-LIKE TRANSCRIPTION FACTOR

 Structural Features

(-) Chains, Units

  1
Asymmetric Unit : A
Biological Unit 1 (4x): A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (6, 10)

Asymmetric Unit (6, 10)
No.NameCountTypeFull Name
1DAO1Ligand/IonLAURIC ACID
2GOL2Ligand/IonGLYCEROL
3ISQ1Ligand/IonISOQUINOLINE
4NI1Ligand/IonNICKEL (II) ION
5PO44Ligand/IonPHOSPHATE ION
6SO41Ligand/IonSULFATE ION
Biological Unit 1 (5, 36)
No.NameCountTypeFull Name
1DAO4Ligand/IonLAURIC ACID
2GOL8Ligand/IonGLYCEROL
3ISQ4Ligand/IonISOQUINOLINE
4NI-1Ligand/IonNICKEL (II) ION
5PO416Ligand/IonPHOSPHATE ION
6SO44Ligand/IonSULFATE ION

(-) Sites  (10, 10)

Asymmetric Unit (10, 10)
No.NameEvidenceResiduesDescription
01AC1SOFTWARESER A:52 , ARG A:53 , THR A:56 , ASP A:89 , ARG A:91 , VAL A:92 , HOH A:301binding site for residue PO4 A 201
02AC2SOFTWARETHR A:6 , HIS A:7 , ILE A:8 , ASP A:9 , LYS A:10 , TYR A:41 , LYS A:44 , GOL A:206binding site for residue PO4 A 202
03AC3SOFTWAREARG A:53binding site for residue PO4 A 203
04AC4SOFTWAREGLN A:12 , ALA A:15 , ILE A:18 , MET A:22 , PHE A:120 , PHE A:135 , DAO A:205binding site for residue ISQ A 204
05AC5SOFTWARELYS A:20 , GLN A:23 , ISQ A:204 , HOH A:322binding site for residue DAO A 205
06AC6SOFTWARETYR A:41 , LYS A:44 , ILE A:45 , HIS A:48 , TYR A:49 , PO4 A:202 , SO4 A:210binding site for residue GOL A 206
07AC7SOFTWAREARG A:83binding site for residue GOL A 207
08AC8SOFTWARELEU A:80 , LYS A:100 , ARG A:104 , HOH A:302 , HOH A:304binding site for residue PO4 A 208
09AC9SOFTWAREHIS A:85binding site for residue NI A 209
10AD1SOFTWARELYS A:10 , TYR A:41 , TYR A:49 , LYS A:60 , GOL A:206binding site for residue SO4 A 210

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (0, 0)

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 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

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(-) Sequences/Alignments

Asymmetric Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
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Chain A from PDB  Type:PROTEIN  Length:142
                                                                                                                                                                              
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhhhhhhhhhhhhhh.hhhhhhhhhhhhhhh.eehhhhhhhhh.hhhhhhhhhhhhhhh..eeeee.......eeeeehhhhhhhhhhhhhh.hhhhhhhhh..hhhhhhhhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4xrf A   5 MTHIDKIQALAFSIGKKMQTELLEQMQATGLTPPQFYILKILDHYGASRATTLAKKMYVKPSAITVMIDRLIDQELVERYHDKDDRRVVIIELTKKGKARVEEAMTARNEHIAKYFSHLELQEREDLLRLFEKLETIICGTQ 146
                                    14        24        34        44        54        64        74        84        94       104       114       124       134       144
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 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4XRF)

(-) CATH Domains  (0, 0)

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(-) Pfam Domains  (0, 0)

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(-) Gene Ontology  (4, 4)

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