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BMRB: 16189

2KFV

Structure of the amino-terminal domain of human FK506-binding protein 3 / Northeast Structural Genomics Consortium Target HT99A

Authors

Sunnerhagen, M., Davis, T., Gutmanas, A., Fares, C., Ouyang, H., Lemak, A., Li, Y., Weigelt, J., Bountra, C., Edwards, A., Arrowsmith, C.H., Dhe Paganon, S.

Assembly

FKBP3-N

Entity

1. FKBP3-N (polymer, Thiol state: all free), 92 monomers, 10427.73 Da Detail

MGSSHHHHHH SSGLVPRGSM AAAVPQRAWT VEQLRSEQLP KKDIIKFLQE HGSDSFLAEH KLLGNIKNVA KTANKDHLVT AYNHLFETKR FK

Formula weight

10427.73 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 82.6 %, Completeness: 79.7 %, Completeness (bb): 81.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.7 % (870 of 1091)	79.4 % (452 of 569)	79.5 % (337 of 424)	82.7 % (81 of 98)
Backbone	81.3 % (444 of 546)	81.2 % (151 of 186)	80.8 % (219 of 271)	83.1 % (74 of 89)
Sidechain	78.8 % (498 of 632)	78.6 % (301 of 383)	79.2 % (190 of 240)	77.8 % (7 of 9)
Aromatic	56.0 % (56 of 100)	56.0 % (28 of 50)	55.1 % (27 of 49)	100.0 % (1 of 1)
Methyl	93.5 % (86 of 92)	93.5 % (43 of 46)	93.5 % (43 of 46)

1. FKBP3-N

MGSSHHHHHH SSGLVPRGSM AAAVPQRAWT VEQLRSEQLP KKDIIKFLQE HGSDSFLAEH KLLGNIKNVA KTANKDHLVT AYNHLFETKR FK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 398 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FKBP3-N	[U-100% 13C; U-100% 15N]	12.5 mg/mL
2	TRIS	natural abundance	10 mM
3	NaCl	natural abundance	500 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.16 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KFV, Strand ID: A Detail

Release date

2010-11-09

Citation

Structure of the N-terminal domain of FK506-binding protein 3
Sunnerhagen, M.
Not known

Related entities 1. FKBP3-N, : 1 : 9 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC