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Found 1 Document (4.487 seconds)

BMRB: 7125

2M6Z

Chemical Shifts Assignments of Human Adult Hemoglobin in the Carbonmonoxy Form

Authors

Fan, J., Yang, D.

Assembly

HbCO A

Entity

1. alpha chain (polymer, Thiol state: all free), 141 monomers, 15126.15 × 2 Da Detail

VLSPADKTNV KAAWGKVGAH AGEYGAEALE RMFLSFPTTK TYFPHFDLSH GSAQVKGHGK KVADALTNAV AHVDDMPNAL SALSDLHAHK LRVDPVNFKL LSHCLLVTLA AHLPAEFTPA VHASLDKFLA SVSTVLTSKY R

2. beta chain (polymer, Thiol state: all free), 146 monomers, 15867.00 × 2 Da Detail

VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST PDAVMGNPKV KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH

3. PROTOPORPHYRIN IX CONTAINING FE (non-polymer), na × 4 Da

Total weight

61986.3 Da

Max. entity weight

15867.0 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 75.7 %, Completeness (bb): 80.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.7 % (2466 of 3256)	77.7 % (1289 of 1659)	69.3 % (906 of 1307)	93.4 % (271 of 290)
Backbone	80.3 % (1360 of 1694)	94.5 % (548 of 580)	65.4 % (550 of 841)	96.0 % (262 of 273)
Sidechain	72.7 % (1330 of 1829)	68.4 % (738 of 1079)	79.7 % (584 of 733)	47.1 % (8 of 17)
Aromatic	51.9 % (161 of 310)	52.9 % (82 of 155)	50.0 % (76 of 152)	100.0 % (3 of 3)
Methyl	96.2 % (358 of 372)	96.2 % (179 of 186)	96.2 % (179 of 186)

1. alpha chain

VLSPADKTNV KAAWGKVGAH AGEYGAEALE RMFLSFPTTK TYFPHFDLSH GSAQVKGHGK KVADALTNAV AHVDDMPNAL SALSDLHAHK LRVDPVNFKL LSHCLLVTLA AHLPAEFTPA VHASLDKFLA SVSTVLTSKY R

2. beta chain

VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST PDAVMGNPKV KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH

Show sample condition

Sample

Temperature 308 (±0.1) K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	HbCO A	[U-13C; U-15N]		1.2 mM
2	HbCO A	[U-13C; U-15N]		1.0 mM

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: -0.15 ppm, Outliers: 3 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: -0.15 ppm, Outliers: 3 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: 0.17 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M6Z, Strand ID: A, B, C, D Detail

Release date

2006-11-12

Citation

A new strategy for structure determination of large proteins in solution without deuteration
Xu, Y., Zheng, Y., Fan, J., Yang, D.
Nat. Methods (2006), 3, 931-937, PubMed 17060917 , DOI 10.1038/nmeth938 , Abstract

Related entities 1. alpha chain, : 3 : 1 : 6 : 151 entities Detail

Related entities 2. beta chain, : 1 : 104 : 1 : 3 : 147 entities Detail

Interaction partners 1. alpha chain, : 31 : 1 interactors Detail

More details for 32 interactors identified by 19 citations

Interaction partners 2. beta chain, : 10 : 1 interactors Detail

More details for 11 interactors identified by 9 citations

Experiments performed 3 experiments Detail

NMR combined restraints 6 contents Detail

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
4:92:HIS:NE2	5:4:HEC:FE	unknown	unknown	n/a
3:92:HIS:NE2	5:2:HEC:FE	unknown	unknown	n/a

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
E	1	HEC	HEME C	None
E	2	HEC	HEME C	None
E	3	HEC	HEME C	None
E	4	HEC	HEME C	None

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	141	100.0
B	B	146	100.0
C	C	141	100.0
D	D	146	100.0

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	chem_shift_list_1	Error	1824		No information
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	9408 (1)	noe	97.2 (chain: A, length: 141), 100.0 (chain: B, length: 146), 97.2 (chain: C, length: 141), 100.0 (chain: D, length: 146)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Error	472 (1)	hbond	No information
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	840 (840)	.	82.3 (chain: A, length: 141), 84.9 (chain: B, length: 146), 82.3 (chain: C, length: 141), 84.9 (chain: D, length: 146)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	242 (242)	.	41.1 (chain: A, length: 141), 43.2 (chain: B, length: 146), 41.1 (chain: C, length: 141), 43.2 (chain: D, length: 146)

Keywords hemoglobin

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_7125_2m6z.nef
Input source #2: Coordindates	2m6z.cif
Diamagnetism of the molecular assembly	False (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

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Found 1 Document (4.487 seconds)

BMRB: 7125

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. alpha chain, : 3 : 1 : 6 : 151 entities Detail

Related entities 2. beta chain, : 1 : 104 : 1 : 3 : 147 entities Detail

Interaction partners 1. alpha chain, : 31 : 1 interactors Detail

Interaction partners 2. beta chain, : 10 : 1 interactors Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 6 contents Detail