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BMRB: 17577

2LBV

Siderocalin Q83 reveals a dual ligand binding mode

Authors

Coudevylle, N., Hoetzinger, M., Geist, L., Kontaxis, G., Bister, K., Konrat, R.

Assembly

Siderocalin Q83

Entity

1. Q83 (polymer, Thiol state: all disulfide bound), 157 monomers, 18077.50 Da Detail

MTVPDRSEIA GKWYVVALAS NTEFFLREKD KMKMAMARIS FLGEDELKVS YAVPKPNGCR KWETTFKKTS DDGEVYYSEE AKKKVEVLDT DYKSYAVIYA TRVKDGRTLH MMRLYSRSPE VSPAATAIFR KLAGERNYTD EMVAMLPRQE ECTVDEV

2. EB4 (non-polymer), 669.546 Da
3. GA (non-polymer), 69.723 Da
4. ACD (non-polymer), 304.467 Da

Total weight

19121.236 Da

Max. entity weight

18077.5 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS59:SG	1:CYS152:SG

Source organism

Coturnix coturnix

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 73.5 %, Completeness (bb): 95.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.5 % (1359 of 1850)	61.1 % (590 of 965)	84.8 % (617 of 728)	96.8 % (152 of 157)
Backbone	95.2 % (885 of 930)	93.3 % (293 of 314)	95.7 % (445 of 465)	97.4 % (147 of 151)
Sidechain	57.9 % (620 of 1071)	45.6 % (297 of 651)	76.8 % (318 of 414)	83.3 % (5 of 6)
Aromatic	18.0 % (27 of 150)	10.7 % (8 of 75)	23.3 % (17 of 73)	100.0 % (2 of 2)
Methyl	92.4 % (146 of 158)	89.9 % (71 of 79)	94.9 % (75 of 79)

1. Q83

MTVPDRSEIA GKWYVVALAS NTEFFLREKD KMKMAMARIS FLGEDELKVS YAVPKPNGCR KWETTFKKTS DDGEVYYSEE AKKKVEVLDT DYKSYAVIYA TRVKDGRTLH MMRLYSRSPE VSPAATAIFR KLAGERNYTD EMVAMLPRQE ECTVDEV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Q83	[U-100% 13C; U-100% 15N]	1 mM
2	EB4	natural abundance	1 mM
3	Gallium(III)	natural abundance	1 mM
4	ARACHIDONIC ACID	natural abundance	1 mM
5	NaCl	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: -0.95 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.95 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.49 ppm, Outliers: 4 Detail

Protein Blocks Logo

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

Release date

2011-10-11

Citation

Lipocalin Q83 reveals a dual ligand binding mode with potential implications for the functions of siderocalins
Coudevylle, N., Hoetzinger, M., Geist, L., Kontaxis, G., Hartl, M., Bister, K., Konrat, R.
Biochemistry (2011), 50, 9192-9199, PubMed 21951132 , DOI 10.1021/bi201115q , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q9I9P7 released on 2002-04-16
Title EXFAB_COTJA Entity Extracellular fatty acid-binding protein

Related entities 1. Q83, : 1 : 2 : 1 : 221 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC