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Found 1 Document (0.361 seconds)

BMRB: 25236

2MUZ

ssNMR structure of a designed rocker protein

Authors

Wang, T., Joh, N., Wu, Y., DeGrado, W.F., Hong, M.

Assembly

rocker tetramer

Entity

1. rocker tetramer (polymer, Thiol state: not present), 26 monomers, 2968.401 × 4 Da Detail

YYKEIAHALF SALXALSELY IAVRYX

Total weight

11873.604 Da

Max. entity weight

2968.401 Da

Exptl. method

NMR

Refine. method

Torsion angles ajustments using Chimera and Pymol, CODEX data fitting by Matlab.

Data set

assigned_chemical_shifts

Chemcal Shifts

Other nucleus: null assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	14	PFF	F	F	-115.50	0.000	1

Protein Blocks Logo

Calculated from 1 models in PDB: 2MUZ, Strand ID: A, B, C, D Detail

Release date

2014-12-21

Citation

De novo design of a transmembrane Zn²⁺-transporting four-helix bundle
Joh, N.H., Wang, T., Bhate, M.P., Acharya, R., Wu, Y., Grabe, M., Hong, M., Grigoryan, G., DeGrado, W.F.
Science (2014), 346, 1520-1524, PubMed 25525248 , DOI 10.1126/science.1261172 , Abstract

Related entities 1. rocker tetramer, : 1 : 3 entities Detail

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	entity_1	F19 on Phe 14		1.5 mg

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_25236_2muz.nef
Input source #2: Coordindates	2muz.cif
Diamagnetism of the molecular assembly	True (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

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:13:LEU:C	1:14:PFF:N	unknown	unknown	n/a
1:14:PFF:C	1:15:ALA:N	unknown	unknown	n/a
1:25:TYR:C	1:26:NH2:N	unknown	unknown	n/a
2:13:LEU:C	2:14:PFF:N	unknown	unknown	n/a
2:14:PFF:C	2:15:ALA:N	unknown	unknown	n/a
2:25:TYR:C	2:26:NH2:N	unknown	unknown	n/a
3:13:LEU:C	3:14:PFF:N	unknown	unknown	n/a
3:14:PFF:C	3:15:ALA:N	unknown	unknown	n/a
3:25:TYR:C	3:26:NH2:N	unknown	unknown	n/a
4:13:LEU:C	4:14:PFF:N	unknown	unknown	n/a
4:14:PFF:C	4:15:ALA:N	unknown	unknown	n/a
4:25:TYR:C	4:26:NH2:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	14	PFF	4-FLUORO-L-PHENYLALANINE	Coordinates
A	26	NH2	AMINO GROUP	Coordinates
B	14	PFF	4-FLUORO-L-PHENYLALANINE	Coordinates
B	26	NH2	AMINO GROUP	Coordinates
C	14	PFF	4-FLUORO-L-PHENYLALANINE	Coordinates
C	26	NH2	AMINO GROUP	Coordinates
D	14	PFF	4-FLUORO-L-PHENYLALANINE	Coordinates
D	26	NH2	AMINO GROUP	Coordinates

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20------
YYKEIAHALFSALXALSELYIAVRYX
||||||||||||||||||||||||||
YYKEIAHALFSALXALSELYIAVRYX

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

--------10--------20------
YYKEIAHALFSALXALSELYIAVRYX
||||||||||||||||||||||||||
YYKEIAHALFSALXALSELYIAVRYX

Entity_assembly_ID (NMR): C vs Auth_asym_ID (model): C

--------10--------20------
YYKEIAHALFSALXALSELYIAVRYX
||||||||||||||||||||||||||
YYKEIAHALFSALXALSELYIAVRYX

Entity_assembly_ID (NMR): D vs Auth_asym_ID (model): D

--------10--------20------
YYKEIAHALFSALXALSELYIAVRYX
||||||||||||||||||||||||||
YYKEIAHALFSALXALSELYIAVRYX

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	26	100.0
B	B	26	100.0
C	C	26	100.0
D	D	26	100.0

Content subtype: combined_25236_2muz.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	12		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning

Covalent bonds

Saveframe: assembly
- Status: OK

Keywords De Novo, Rocker, ssNMR

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Found 1 Document (0.361 seconds)

BMRB: 25236

Related entities 1. rocker tetramer, : 1 : 3 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 2 contents Detail