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BMRB: 11080

2RQS

3D structure of Pin from the psychrophilic archeon Cenarcheaum symbiosum (CsPin)

Authors

Zhukov, I., Jaremko, L., Jaremko, M.

Assembly

CsPin

Entity

1. CsPin (polymer, Thiol state: all free), 97 monomers, 10496.09 Da Detail

GPMGSMADKI KCSHILVKKQ GEALAVQERL KAGEKFGKLA KELSIDGGSA KRDGSLGYFG RGKMVKPFED AAFRLQVGEV SEPVKSEFGY HVIKRLG

Formula weight

10496.09 Da

Source organism

Cenarchaeum symbiosum A

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 88.4 %, Completeness (bb): 82.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.4 % (997 of 1128)	94.6 % (563 of 595)	78.7 % (343 of 436)	93.8 % (91 of 97)
Backbone	82.1 % (473 of 576)	94.6 % (194 of 205)	69.0 % (191 of 277)	93.6 % (88 of 94)
Sidechain	95.4 % (606 of 635)	94.6 % (369 of 390)	96.7 % (234 of 242)	100.0 % (3 of 3)
Aromatic	85.1 % (63 of 74)	81.1 % (30 of 37)	89.2 % (33 of 37)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. CsPin

GPMGSMADKI KCSHILVKKQ GEALAVQERL KAGEKFGKLA KELSIDGGSA KRDGSLGYFG RGKMVKPFED AAFRLQVGEV SEPVKSEFGY HVIKRLG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 289 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	CsPin	[U-100% 13C; U-100% 15N]	protein	0.6 (±0.2) mM
2	TRIS		buffer	20 mM
3	DTT		salt	3 mM
4	NaCl		salt	50 mM
5	H2O		solvent	90 %
6	D2O		solvent	10 %

LACS Plot; CA

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

Referencing offset: -0.58 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.58 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Heteronucl. T₁

160 T₁ values in 2 lists
Coherence Sz, Field strength (¹H) 500 MHz, 700 MHz, Pressure 1 atm, Temperature 289 K, pH 7.5 Detail

Heteronucl. T₂

160 T₂ values in 2 lists
Coherence S(+,-), Field strength (¹H) 500 MHz, 700 MHz, Pressure 1 atm, Temperature 289 K, pH 7.5 Detail

Heteronucl. NOE

74 NOE values in 1 lists
Value type peak integral, Field strength (¹H) 500 MHz, Pressure 1 atm, Temperature 289 K, pH 7.5 Detail

Heteronucl. T₁/T₂

160 T₁/T₂ values in 2 lists
Field strength (¹H) 500 MHz, 700 MHz, Pressure 1 atm, Temperature 289 K, pH 7.5 Detail

Order parameters

74 S² values in 1 lists
Pressure 1 atm, Temperature 289 K, pH 7.5 Detail

Release date

2011-06-02

Citation

Structure and dynamics of the first archaeal parvulin reveal a new functionally important loop in parvulin-type prolyl isomerases
Jaremko, U., Jaremko, M., Elfaki, I., Mueller, J.W., Ejchart, A., Bayer, P., Zhukov, I.
J. Biol. Chem. (2011), 286, 6554-6565, PubMed 21138844 , DOI 10.1074/jbc.M110.160713 , Abstract

Related entities 1. CsPin, : 1 : 1 : 240 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC