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(-) Description

Title :  CRYSTAL STRUCTURE OF HUMAN BAZ2B BROMODOMAIN IN COMPLEX WITH AN ACETYLATED HISTONE 3 PEPTIDE (H3K14AC)
 
Authors :  C. Tallant, B. Jose, S. Picaud, A. Chaikuad, P. Filippakopoulos, N. Bur Brown, F. Von Delft, C. H. Arrowsmith, A. M. Edwards, C. Bountra, S. Kn Structural Genomics Consortium (Sgc)
Date :  09 May 14  (Deposition) - 21 May 14  (Release) - 22 Apr 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.99
Chains :  Asym. Unit :  A,B,D,E
Biol. Unit 1:  A,D  (1x)
Biol. Unit 2:  B,E  (1x)
Keywords :  Bromodomain Adjacent To Zinc Finger Domain Protein 2B, Hwalp4, Kiaa1476, Transcriptional Regulation, Structural Genomics Consortium, Sgc, Transcription (Keyword Search: [Gene Ontology, PubMed, Web (Google))
 
Reference :  C. Tallant, E. Valentini, O. Fedorov, L. Overvoorde, F. M. Ferguson, P. Filippakopoulos, D. I. Svergun, S. Knapp, A. Ciulli
Molecular Basis Of Histone Tail Recognition By Human Tip5 Phd Finger And Bromodomain Of The Chromatin Remodeling Complex Norc.
Structure V. 23 80 2015
PubMed-ID: 25533489  |  Reference-DOI: 10.1016/J.STR.2014.10.017

(-) Compounds

Molecule 1 - BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
    ChainsA, B
    EngineeredYES
    Expression SystemESCHERICHIA COLI
    Expression System PlasmidPNIC28-BSA
    Expression System StrainBL21(DE3)-R3
    Expression System Taxid469008
    Expression System Vector TypePLASMID
    FragmentUNP RESIDUES 2062-2166
    GeneBAZ2B, KIAA1476
    Organism CommonHUMAN
    Organism ScientificHOMO SAPIENS
    Organism Taxid9606
    SynonymHWALP4
 
Molecule 2 - ACETYLATED HISTONE 3 PEPTIDE (H3K14AC)
    ChainsD, E
    EngineeredYES
    SyntheticYES

 Structural Features

(-) Chains, Units

  1234
Asymmetric Unit ABDE
Biological Unit 1 (1x)A D 
Biological Unit 2 (1x) B E

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 7)

Asymmetric Unit (3, 7)
No.NameCountTypeFull Name
1ALY2Mod. Amino AcidN(6)-ACETYLLYSINE
2SO41Ligand/IonSULFATE ION
3ZN4Ligand/IonZINC ION
Biological Unit 1 (1, 1)
No.NameCountTypeFull Name
1ALY1Mod. Amino AcidN(6)-ACETYLLYSINE
2SO4-1Ligand/IonSULFATE ION
3ZN-1Ligand/IonZINC ION
Biological Unit 2 (2, 2)
No.NameCountTypeFull Name
1ALY1Mod. Amino AcidN(6)-ACETYLLYSINE
2SO41Ligand/IonSULFATE ION
3ZN-1Ligand/IonZINC ION

(-) Sites  (5, 5)

Asymmetric Unit (5, 5)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREGLU A:2141 , HOH A:2313 , GLU B:2137 , HIS B:2151 , ZN B:2201BINDING SITE FOR RESIDUE ZN A 2201
2AC2SOFTWAREGLU A:2137 , HIS A:2151 , HOH A:2315 , GLU B:2141 , ZN B:2202BINDING SITE FOR RESIDUE ZN A 2202
3AC3SOFTWAREGLU A:2141 , ZN A:2201 , HOH A:2313 , GLU B:2137 , HIS B:2151BINDING SITE FOR RESIDUE ZN B 2201
4AC4SOFTWAREGLU A:2137 , HIS A:2151 , ZN A:2202 , HOH A:2315 , GLU B:2141BINDING SITE FOR RESIDUE ZN B 2202
5AC5SOFTWAREASP A:2062 , SER A:2063 , HOH B:2331BINDING SITE FOR RESIDUE SO4 B 2203

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4QC1)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4QC1)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4QC1)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4QC1)

(-) Exons   (0, 0)

(no "Exon" information available for 4QC1)

(-) 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:106
                                                                                                                                           
               SCOP domains ---------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhhhhhhhhhhh.........hhhhhh....hhhhhhhhhhh....hhhhhhhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------- Transcript
                4qc1 A 2060 SMDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTF 2165
                                  2069      2079      2089      2099      2109      2119      2129      2139      2149      2159      

Chain B from PDB  Type:PROTEIN  Length:106
                                                                                                                                           
               SCOP domains ---------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhh.........hhhhhh....hhhhhhhhhhh....hhhhhhhhhhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------- Transcript
                4qc1 B 2061 MDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTFK 2166
                                  2070      2080      2090      2100      2110      2120      2130      2140      2150      2160      

Chain D from PDB  Type:PROTEIN  Length:8
                                         
               SCOP domains -------- SCOP domains
               CATH domains -------- CATH domains
               Pfam domains -------- Pfam domains
         Sec.struct. author ........ Sec.struct. author
                 SAPs(SNPs) -------- SAPs(SNPs)
                    PROSITE -------- PROSITE
                 Transcript -------- Transcript
                4qc1 D   12 GGkAPRKQ   19
                              |     
                             14-ALY 

Chain E from PDB  Type:PROTEIN  Length:9
                                          
               SCOP domains --------- SCOP domains
               CATH domains --------- CATH domains
               Pfam domains --------- Pfam domains
         Sec.struct. author ......... Sec.struct. author
                 SAPs(SNPs) --------- SAPs(SNPs)
                    PROSITE --------- PROSITE
                 Transcript --------- Transcript
                4qc1 E   11 TGGkAPRKQ   19
                               |     
                              14-ALY 

   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
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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 4QC1)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4QC1)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4QC1)

(-) Gene Ontology  (7, 7)

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 Related Entries

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

UniProtKB/Swiss-Prot
        BAZ2B_HUMAN | Q9UIF82e7o 3g0l 3q2f 4cup 4cuq 4cur 4cus 4cut 4cuu 4ir3 4ir4 4ir5 4ir6 4nr9 4nra 4nrb 4nrc 4qc3 4qf3 4rvr 4xua 4xub 5cq3 5cq4 5cq5 5cq6 5cq7 5cq8 5cqa 5cu8 5cua 5cub 5cuc 5cud 5cue 5cug 5dyu 5dyx 5e73 5e74 5e9i 5e9k 5e9l 5e9m 5e9y 5l8t 5l8u 5l96 5l97 5l98 5l99 5mge 5mgf 5mgg 5pb7 5pb8 5pb9 5pba 5pbb 5pbc 5pbd 5pbe 5pbf 5pbg 5pbh 5pbi 5pbj 5pbk 5pbl 5pbm 5pbn 5pbo 5pbp 5pbq 5pbr 5pbs 5pbt 5pbu 5pbv 5pbw 5pbx 5pby 5pbz 5pc0 5pc1 5pc2 5pc3 5pc4 5pc5 5pc6 5pc7 5pc8 5pc9 5pca 5pcb 5pcc 5pcd 5pce 5pcf 5pcg 5pch 5pci 5pcj 5pck 5pcl 5pcm 5pcn 5pco 5pcp 5pcq 5pcr 5pcs 5pct 5pcu 5pcv 5pcw 5pcx 5pcz 5pd0 5pd1 5pd2 5pd3 5pd4 5pd5 5pd6 5pd7 5pd8 5pd9 5pda 5pdb 5pdc 5pdd 5pde 5pdf 5pdg 5pdh 5pdi 5pdj 5pdk 5pdl 5pdm 5pdn 5pdo 5pdp 5pdq 5pdr 5pds 5pdt 5pdu 5pdv 5pdw 5pdx 5pdy 5pdz 5pe0 5pe1 5pe2 5pe3 5pe4 5pe5 5pe6 5pe7 5pe8 5pe9 5pea 5peb 5pec 5ped 5pee 5pef 5peg 5peh 5pei 5pej 5pek 5pel 5pem 5pen 5peo 5peq 5per 5pes 5pet 5peu 5pev 5pew 5pex 5pey 5pez 5pf0 5pf1 5pf2 5pf3 5pf4 5pf5 5pf6 5pf7 5pf8 5pf9 5pfa 5pfb 5pfc 5pfd 5pfe 5pff 5pfg 5pfh 5pfi 5pfj 5pfl 5pfm 5pfn 5pfo 5pfp 5pfq 5pfr 5pfs 5pft 5pfu 5pfv 5pfw 5pfx 5pfy 5pfz 5pg0 5pg1 5pg2 5pg3 5pg4 5pg5 5pg6 5pg7 5pg8 5pg9 5pga 5pgb 5pgc 5pgd 5pge 5pgf 5pgg 5pgh 5pgi 5pgj 5pgk 5pgl 5pgn 5pgo 5pgp 5pgq 5pgr 5pgs 5pgt

(-) Related Entries Specified in the PDB File

4qbm 4qc3