BMRB Entry 6858

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6858
MolProbity Validation Chart

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Title:
1H, 13C, and 15N assignments for UDP-N-acetylmuramyl-pentapeptide (PG-P) bound to Peptidoglycan associated lipoprotein (pal) from Haemophilus influenzae or free.
Deposition date:
2005-10-08
Original release date:
2006-04-24
Authors:
Parsons, Lisa; Orban, John
Citation:

Citation: Parsons, Lisa; Lin, Florence; Orban, John. "Peptidoglycan recognition by pal, an outer membrane lipoprotein"  Biochemistry 45, 2122-2128 (2006).
PubMed: 16475801

Assembly members:

Assembly members:
PAL - Peptidoglycan associated lipoprotein, polymer, 134 residues, Formula weight is not available
UDP-N-acetylmuramyl-L-Ala-D-Glu-m-Dap-D-Ala-D-Ala, polymer, 7 residues, 1200 Da.

Natural source:

Natural source:   Common Name: H. influenzae   Taxonomy ID: 727   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Haemophilus influenzae

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PAL - Peptidoglycan associated lipoprotein: CSSSNNDAAGNGAAQTFGGY SVADLQQRYNTVYFGFDKYD ITGEYVQILDAHAAYLNATP AAKVLVEGNTDERGTPEYNI ALGQRRADAVKGYLAGKGVD AGKLGTVSYGEEKPAVLGHD EAAYSKNRRAVLAY
UDP-N-acetylmuramyl-L-Ala-D-Glu-m-Dap-D-Ala-D-Ala: XXAXXXX

Data sets:
Data typeCount
13C chemical shifts37
15N chemical shifts7
1H chemical shifts43

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1peptidoglycan associated lipoprotein1
2PG-P2

Entities:

Entity 1, peptidoglycan associated lipoprotein 134 residues - Formula weight is not available

1   CYSSERSERSERASNASNASPALAALAGLY
2   ASNGLYALAALAGLNTHRPHEGLYGLYTYR
3   SERVALALAASPLEUGLNGLNARGTYRASN
4   THRVALTYRPHEGLYPHEASPLYSTYRASP
5   ILETHRGLYGLUTYRVALGLNILELEUASP
6   ALAHISALAALATYRLEUASNALATHRPRO
7   ALAALALYSVALLEUVALGLUGLYASNTHR
8   ASPGLUARGGLYTHRPROGLUTYRASNILE
9   ALALEUGLYGLNARGARGALAASPALAVAL
10   LYSGLYTYRLEUALAGLYLYSGLYVALASP
11   ALAGLYLYSLEUGLYTHRVALSERTYRGLY
12   GLUGLULYSPROALAVALLEUGLYHISASP
13   GLUALAALATYRSERLYSASNARGARGALA
14   VALLEUALATYR

Entity 2, PG-P 7 residues - 1200 Da.

1   UDPAMUALADGNKCXDALDAL

Samples:

UYPbound: UDP-N-acetylmuramyl-L-Ala-D-Glu-m-Dap-D-Ala-D-Ala, [U-13C; U-15N], 0.8 mM; peptidoglycan associated lipoprotein 0.8 mM; NaCl 50 mM; PO4 50 mM

conditions_1: pH: 6.7; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
CBCACONHUYPboundnot availableconditions_1
HNCACBUYPboundnot availableconditions_1
HNCO on 15C/13N-labeled palUYPboundnot availableconditions_1
13C/15N-labeled uyp sampleUYPboundnot availableconditions_1
HCCHTOCSYUYPboundnot availableconditions_1
2D-TOCSYUYPboundnot availableconditions_1
C13-HSQC on mixed 15C/13N-labeled uyp and unlabeled palUYPboundnot availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

PDB
EMBL CBW28680 CBY81987 CBY86497
GB AAA24940 AAA24994 AAC22039 AAX87436 ABQ97707
REF NP_438542 YP_001290090 YP_001292339 YP_004136294 YP_004138178
SP P10324
AlphaFold P10324

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks