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Found 1 Document (3.793 seconds)

BMRB: 16306

2KSC

1H, 15N, and 13C resonance assignments of the 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 in the ferric bis-histidine state

Authors

Vuletich, D.A., Pond, M.P., Falzone, C.J., Lecomte, J.T.J.

Assembly

Truncated hemoglobin

Entity

1. GlbN (polymer, Thiol state: not present), 123 monomers, 13725.27 Da Detail

ASLYEKLGGA AAVDLAVEKF YGKVLADERV NRFFVNTDMA KQKQHQKDFM TYAFGGTDRF PGRSMRAAHQ DLVENAGLTD VHFDAIAENL VLTLQELNVS QDLIDEVVTI VGSVQHRNDV LNR

2. HEB (non-polymer), 618.503 Da

Total weight

14343.772 Da

Max. entity weight

13725.27 Da

Entity Connection

covalent 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:HIS116:NE2	2:HEB1:CAB

Source organism

Synechococcus sp. PCC 7002

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 89.8 %, Completeness (bb): 94.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.8 % (1265 of 1409)	87.7 % (635 of 724)	90.3 % (496 of 549)	98.5 % (134 of 136)
Backbone	94.8 % (698 of 736)	93.3 % (236 of 253)	94.7 % (342 of 361)	98.4 % (120 of 122)
Sidechain	85.9 % (677 of 788)	84.7 % (399 of 471)	87.1 % (264 of 303)	100.0 % (14 of 14)
Aromatic	90.9 % (100 of 110)	92.7 % (51 of 55)	89.1 % (49 of 55)
Methyl	99.4 % (153 of 154)	98.7 % (76 of 77)	100.0 % (77 of 77)

1. GlbN

ASLYEKLGGA AAVDLAVEKF YGKVLADERV NRFFVNTDMA KQKQHQKDFM TYAFGGTDRF PGRSMRAAHQ DLVENAGLTD VHFDAIAENL VLTLQELNVS QDLIDEVVTI VGSVQHRNDV LNR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GlbN	natural abundance	1.0 ~ 2.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	phosphate buffer	natural abundance	20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 16 models in PDB: 2KSC, Strand ID: A Detail

Heteronucl. T₁

100 T₁ values in 1 lists
Coherence Iz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. T₂

99 T₂ values in 1 lists
Coherence I(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. NOE

93 NOE values in 1 lists
Value type peak height, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. T₁/T₂

99 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Release date

2009-07-21

Citation 1

Truncated hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002: evidence for hexacoordination and covalent adduct formation in the ferric recombinant protein
Scott, N.L., Falzone, C.J., Vuletich, D.A., Zhao, J., Bryant, D.A., Lecomte, J.T.J.
Biochemistry (2002), 41, 6902-6910, PubMed 12033922 , DOI 10.1021/bi025609m , Abstract

Show more 5 citaions

Citation 2

(1)H, (15)N, and (13)C resonance assignments of the 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 in the ferric bis-histidine state
Pond, M.P., Vuletich, D.A., Falzone, C.J., Majumdar, A., Lecomte, J.T.J.
Biomol. NMR Assign. (2009), 3, 211-214, PubMed 19888693 , DOI 10.1007/s12104-009-9177-1 , Abstract

Citation 3

Structural and dynamic repercussions of heme binding and heme-protein cross-linking in Synechococcus sp. PCC 7002 hemoglobin
Vuletich, D.A., Falzone, C.J., Lecomte, J.T.J.
Biochemistry (2006), 45, 14075-14084, PubMed 17115702 , DOI 10.1021/bi061532g , Abstract

Citation 4

Characterization of the heme-histidine cross-link in cyanobacterial hemoglobins from Synechocystis sp. PCC 6803 and Synechococcus sp. PCC 7002
Vu, B., Vuletich, D.A., Kuriakose, S.A., Falzone, C.J., Lecomte, J.T.J.
J. Biol. Inorg. Chem. (2004), 9, 183-194, PubMed 14727166 , DOI 10.1007/s00775-003-0512-1 , Abstract

Citation 5

Functional and structural characterization of the 2/2 hemoglobin from Synechococcus sp. PCC 7002
Scott, N.L., Xu, Y., Shen, G., Vuletich, D.A., Falzone, C.J., Li, Z., Ludwig, M., Pond, M.P., Preimesberger, M.R., Bryant, D.A., Lecomte, J.T.J.
Biochemistry (2010), 49, 7000-7011, PubMed 20669934 , DOI 10.1021/bi100463d , Abstract

Citation 6

TBD
Pond, M.P., Majumdar, A., Lecomte, J.T.J.
Not known

Hide non-primary 5 citaions

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16307 released on 2009-07-21
Title 1H, 15N, and 13C resonance assignments of the 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 in the ferric bis-histidine state

Related entities 1. GlbN, : 1 : 2 : 48 entities Detail

Experiments performed 26 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

2 2D 1H-13C HMQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

3 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

4 3D HCCH-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

5 3D HCC(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

6 3D 1H-13C NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

7 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

8 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

9 3D HN(CA)CO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

10 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

11 3D CBCANH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GlbN	[U-13C; U-15N]	0.6 ~ 1.4 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	phosphate buffer	natural abundance	20 mM

12 3D 1H-15N TOCSY-HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

13 3D 1H-15N NOESY-HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

14 2D DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GlbN	natural abundance	1.0 ~ 2.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	phosphate buffer	natural abundance	20 mM

15 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GlbN	natural abundance	1.0 ~ 2.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	phosphate buffer	natural abundance	20 mM

16 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GlbN	natural abundance	1.0 ~ 2.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	phosphate buffer	natural abundance	20 mM

17 2D 1H-15N HMQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

18 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

19 2D DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

20 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

21 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

22 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
13	GlbN	natural abundance	1.0 ~ 4.0 mM
14	phosphate buffer	natural abundance	20 mM
15	D2O	natural abundance	100 %

23 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

24 2D 1H-15N NOE

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

25 2D 15N R1

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

26 2D 15N R2

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GlbN	[U-15N]	1.0 ~ 2.0 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	phosphate buffer	natural abundance	20 mM

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Found 1 Document (3.793 seconds)

BMRB: 16306

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Entries sharing articles BMRB: 1 entries Detail

Related entities 1. GlbN, : 1 : 2 : 48 entities Detail

Experiments performed 26 experiments Detail

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