BMRB Entry 16423

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16423

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Title:
Solution structure of a neurotrophic ligand bound to FKB12 and its effects on protein dynamics
Deposition date:
2009-07-23
Original release date:
2010-03-08
Authors:
Sich, Christian; Improta, Sabina; Cowley, David; Guenet, Chantal; Merly, Jean-Pierre; Teufel, Michael; Saudek, Vladimir
Citation:

Citation: Sich, Christian; Improta, Sabina; Cowley, David; Guenet, Chantal; Merly, Jean-Pierre; Teufel, Michael; Saudek, Vladimir. "Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics"  Eur. J. Biochem. 267, 5342-5354 (2000).
PubMed: 10951192

Assembly members:

Assembly members:
FKBP12, polymer, 104 residues, 12286.19 Da.
1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE, non-polymer, 449.582 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: recombinant technology   Host organism: Escherichia coli   Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
FKBP12: GVQVQTISPGDGRTFPKRGQ TCVVHYTGMLEDGKKFDSSR DRNKPFKFMLGLQEVIRGWE GVAQMSVGQRAKLTISPDYA YGATGHPGIIPHTLVFDVEL LKLE

Data sets:
  • binding_constants
Data typeCount
binding constants1

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1FKBP121
2ligand 12

Entities:

Entity 1, FKBP12 104 residues - 12286.19 Da.

1   GLYVALGLNVALGLNTHRILESERPROGLY
2   ASPGLYARGTHRPHEPROLYSARGGLYGLN
3   THRCYSVALVALHISTYRTHRGLYMETLEU
4   GLUASPGLYLYSLYSPHEASPSERSERARG
5   ASPARGASNLYSPROPHELYSPHEMETLEU
6   GLYLEUGLNGLUVALILEARGGLYTRPGLU
7   GLYVALALAGLNMETSERVALGLYGLNARG
8   ALALYSLEUTHRILESERPROASPTYRALA
9   TYRGLYALATHRGLYHISPROGLYILEILE
10   PROHISTHRLEUVALPHEASPVALGLULEU
11   LEULYSLEUGLU

Entity 2, ligand 1 - C28 H35 N O4 - 449.582 Da.

1   SB3

Samples:

sample_1: FKBP12, [U-15N], 0.5 mM; sodium azide 0.01%; sodium phosphate 100 mM; 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-peperidine carboxylate 0.5 mM; D2O 10%; H2O 90%

sample_2: FKBP12, [U-13C; U-15N], 2 mM; sodium azide 0.01%; sodium phosphate 100 mM; 1,3-diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-peperidine carboxylate 2 mM; D2O 10%; H2O 90%

sample_3: FKBP12, [U-15N], 0.5 mM; sodium azide 0.01%; sodium phosphate 100 mM; D2O 10%; H2O 90%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N TOCSY-HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESY-HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D H(CC)(CO)NH-TOCSYsample_2isotropicsample_conditions_1
3D (H)CC(CO)NH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY-HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - processing

AURELIA v2.1, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - structure solution

FELIX v97.2, Accelrys Software Inc. - structure solution

X-PLOR, Brunger - structure solution

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

PDB