BMRB Entry 25130

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PDB ID: 2msr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25130
MolProbity Validation Chart

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Title:
Solution structure of LEDGF/p75 IBD in complex with MLL1 peptide (140-160)
Deposition date:
2014-08-05
Original release date:
2014-08-25
Authors:
Cermakova, Katerina; Tesina, Petr; Demeulemeester, Jonas; El Ashkar, Sara; Mereau, Helene; Schwaller, Juerg; Rezacova, Pavlina; Veverka, Vaclav; De Rijck, Jan
Citation:

Citation: Cermakova, Katerina; Tesina, Petr; Demeulemeester, Jonas; El Ashkar, Sara; Mereau, Helene; Schwaller, Juerg; Rezacova, Pavlina; Veverka, Vaclav; De Rijck, Jan. "Validation and Structural Characterization of the LEDGF/p75-MLL Interface as a New Target for the Treatment of MLL-Dependent Leukemia."  Cancer Res. 74, 5139-5151 (2014).
PubMed: 25082813

Assembly members:

Assembly members:
MLL1_140-160, polymer, 21 residues, 2272.364 Da.
IBD, polymer, 88 residues, 10260.019 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MLL1_140-160: GGSGEDEQFLGFGSDEEVRV R
IBD: SNAASRETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNM

Data sets:
Data typeCount
1H chemical shifts734
13C chemical shifts372
15N chemical shifts89

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1MLL1 peptide (140-160)1
2LEDGF/p75 IBD2

Entities:

Entity 1, MLL1 peptide (140-160) 21 residues - 2272.364 Da.

1   GLYGLYSERGLYGLUASPGLUGLNPHELEU
2   GLYPHEGLYSERASPGLUGLUVALARGVAL
3   ARG

Entity 2, LEDGF/p75 IBD 88 residues - 10260.019 Da.

1   SERASNALAALASERARGGLUTHRSERMET
2   ASPSERARGLEUGLNARGILEHISALAGLU
3   ILELYSASNSERLEULYSILEASPASNLEU
4   ASPVALASNARGCYSILEGLUALALEUASP
5   GLULEUALASERLEUGLNVALTHRMETGLN
6   GLNALAGLNLYSHISTHRGLUMETILETHR
7   THRLEULYSLYSILEARGARGPHELYSVAL
8   SERGLNVALILEMETGLULYSSERTHRMET
9   LEUTYRASNLYSPHELYSASNMET

Related Database Links:

PDB 2MSR 2MTN 1Z9E 2B4J 3F9K 3HPG 3HPH 3U88
DBJ BAA03407 BAJ78791 BAK63380
EMBL CAA93625 CAC34944
GB AAA58669 AAA62593 AAC37520 AAC95283 AAC95284 AAB52589 AAC25167 AAC97946 AAF25870 AAH02260
PIR A48205
PRF 1919460A
REF NP_001074518 NP_001184033 NP_005924 XP_001093874 XP_003253537 NP_001009372 NP_001075982 NP_001121689 NP_001137364 NP_001193405
SP P55200 Q03164 O75475 Q66T72 Q812D1 Q8MJG1 Q99JF8
TPG DAA22311 DAA26946
BMRB 25171
AlphaFold P55200 Q03164 O75475 Q66T72 Q812D1 Q8MJG1 Q99JF8

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