BMRB Entry 19066

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PDB ID: 3zpd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19066
MolProbity Validation Chart

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Title:
Solution structure of the FimH adhesin carbohydrate-binding domain
Deposition date:
2013-03-01
Original release date:
2014-02-10
Authors:
Van nuland, N.; VANWETSWINKEL, SOPHIE; Vranken, W.; Buts, L.
Citation:

Citation: Vanwetswinkel, Sophie; Volkov, Alexander; Sterckx, Yann; Garcia-Pino, Abel; Buts, Lieven; Vranken, Wim; Bouckaert, Julie; Roy, Rene; Wyns, Lode; van Nuland, Nico. "Study of the Structural and Dynamic Effects in the FimH Adhesin upon alfa-D-Heptyl Mannose Binding"  J. Med. Chem. 57, 1416-1427 (2014).
PubMed: 24476493

Assembly members:

Assembly members:
FIMH, polymer, 158 residues, 16904.8881 Da.

Natural source:

Natural source:   Common Name: Enterobacteria   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FIMH: FACKTANGTAIPIGGGSANV YVNLAPVVNVGQNLVVDLST QIFCHNDYPETITDYVTLQR GSAYGGVLSNFSGTVKYSGS SYPFPTTSETPRVVYNSRTD KPWPVALYLTPVSSAGGVAI KAGSLIAVLILRQTNNYNSD DFQFVWNIYANNDVVVPT

Data sets:
Data typeCount
13C chemical shifts694
15N chemical shifts171
1H chemical shifts1074
T1 relaxation values132
T2 relaxation values133

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1FIMH1

Entities:

Entity 1, FIMH 158 residues - 16904.8881 Da.

1   PHEALACYSLYSTHRALAASNGLYTHRALA
2   ILEPROILEGLYGLYGLYSERALAASNVAL
3   TYRVALASNLEUALAPROVALVALASNVAL
4   GLYGLNASNLEUVALVALASPLEUSERTHR
5   GLNILEPHECYSHISASNASPTYRPROGLU
6   THRILETHRASPTYRVALTHRLEUGLNARG
7   GLYSERALATYRGLYGLYVALLEUSERASN
8   PHESERGLYTHRVALLYSTYRSERGLYSER
9   SERTYRPROPHEPROTHRTHRSERGLUTHR
10   PROARGVALVALTYRASNSERARGTHRASP
11   LYSPROTRPPROVALALALEUTYRLEUTHR
12   PROVALSERSERALAGLYGLYVALALAILE
13   LYSALAGLYSERLEUILEALAVALLEUILE
14   LEUARGGLNTHRASNASNTYRASNSERASP
15   ASPPHEGLNPHEVALTRPASNILETYRALA
16   ASNASNASPVALVALVALPROTHR

Related Database Links:

UNP A2IC68_ECOLX
BMRB 19254 19255 19256 21033 26541
PDB 1KIU 1KLF 1QUN 1TR7 1UWF 2VCO 3JWN 3MCY 3RFZ 3ZL1 3ZL2 3ZPD 4ATT 4AUJ 4AUU 4AUY 4AV0 4AV4 4AV5 4AVH 4AVI 4AVJ 4AVK 4BUQ 4CA4 4CSS 4CST 4J3O 4LOV 4X50 4X5P 4X5Q 4X5R
DBJ BAB38702 BAE78313 BAG80117 BAI28639 BAI33780
EMBL CAA12423 CAA29156 CAH55784 CAM92099 CAP78801
GB AAA97216 AAB29812 AAC35864 AAC77276 AAD44319
REF NP_313306 NP_418740 NP_709914 WP_000816510 WP_000816511
SP P08191
AlphaFold A2IC68 P08191

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