BMRB Entry 34472

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PDB ID: 6ttc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34472
MolProbity Validation Chart

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Title:
Haddock model of NDM-1/myricetin complex
Deposition date:
2019-12-26
Original release date:
2021-01-06
Authors:
Riviere, G.; Oueslati, S.; Gayral, M.; Crechet, J.; Nhiri, N.; Jacquet, E.; Cintrat, J.; Giraud, F.; van Heijenoort, C.; Lescop, E.; Pethe, S.; Iorga, B.; Naas, T.; Guittet, E.; Morellet, N.
Citation:

Citation: Marra, A.. "NDM-1: a local clone emerges with worldwide aspirations."  Future Microbiol. 6, 137-141 (2011).
PubMed: 21366414

Assembly members:

Assembly members:
entity_1, polymer, 228 residues, 24032.010 Da.
entity_ZN, non-polymer, 65.409 Da.
entity_MYC, non-polymer, 318.235 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 573   Superkingdom: not available   Kingdom: not available   Genus/species: Klebsiella pneumoniae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GDQRFGDLVFRQLAPNVWQH TSYLDMPGFGAVASNGLIVR DGGRVLVVDTAWTDDQTAQI LNWIKQEINLPVALAVVTHA HQDKMGGMDALHAAGIATYA NALSNQLAPQEGMVAAQHSL TFAANGWVEPATAPNFGPLK VFYPGPGHTSDNITVGIDGT DIAFGGCLIKDSKAKSLGNL GDADTEHYAASARAFGAAFP KASMIVMSHSAPDSRAAITH TARMADKL

Data sets:
Data typeCount
13C chemical shifts581
15N chemical shifts206
1H chemical shifts206

Additional metadata:

  • Assembly
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22
3unit_32
4unit_43

Entities:

Entity 1, unit_1 228 residues - 24032.010 Da.

1   GLYASPGLNARGPHEGLYASPLEUVALPHE
2   ARGGLNLEUALAPROASNVALTRPGLNHIS
3   THRSERTYRLEUASPMETPROGLYPHEGLY
4   ALAVALALASERASNGLYLEUILEVALARG
5   ASPGLYGLYARGVALLEUVALVALASPTHR
6   ALATRPTHRASPASPGLNTHRALAGLNILE
7   LEUASNTRPILELYSGLNGLUILEASNLEU
8   PROVALALALEUALAVALVALTHRHISALA
9   HISGLNASPLYSMETGLYGLYMETASPALA
10   LEUHISALAALAGLYILEALATHRTYRALA
11   ASNALALEUSERASNGLNLEUALAPROGLN
12   GLUGLYMETVALALAALAGLNHISSERLEU
13   THRPHEALAALAASNGLYTRPVALGLUPRO
14   ALATHRALAPROASNPHEGLYPROLEULYS
15   VALPHETYRPROGLYPROGLYHISTHRSER
16   ASPASNILETHRVALGLYILEASPGLYTHR
17   ASPILEALAPHEGLYGLYCYSLEUILELYS
18   ASPSERLYSALALYSSERLEUGLYASNLEU
19   GLYASPALAASPTHRGLUHISTYRALAALA
20   SERALAARGALAPHEGLYALAALAPHEPRO
21   LYSALASERMETILEVALMETSERHISSER
22   ALAPROASPSERARGALAALAILETHRHIS
23   THRALAARGMETALAASPLYSLEU

Entity 2, unit_2 - Zn - 65.409 Da.

1   ZN

Entity 3, unit_4 - C15 H10 O8 - 318.235 Da.

1   MYC

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