BMRBj - BMREntryMaster

Found 1 Document (2.319 seconds)

BMRB: 4928

1F62

Structure of the PHD Zinc finger from human Williams-Beuren syndrome transcription factor

Authors

Pascual, J., Martinez-Yamout, M., Dyson, H., Wright, P.E.

Assembly

WSTF-PHD

Entity

1. WSTF-PHD (polymer, Thiol state: all other bound), 51 monomers, 5813.729 Da Detail

ARCKVCRKKG EDDKLILCDE CNKAFHLFCL RPALYEVPDG EWQCPACQPA T

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

5944.547 Da

Max. entity weight

5813.729 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS3:SG	2:ZN1:ZN
2	na	sing	1:CYS6:SG	2:ZN1:ZN
3	na	sing	1:HIS26:ND1	2:ZN1:ZN
4	na	sing	1:CYS29:SG	2:ZN1:ZN
5	na	sing	1:CYS18:SG	2:ZN1:ZN
6	na	sing	1:CYS21:SG	2:ZN1:ZN
7	na	sing	1:CYS44:SG	2:ZN1:ZN
8	na	sing	1:CYS47:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

Restrained molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.4 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (550 of 595)	95.5 % (300 of 314)	88.3 % (203 of 230)	92.2 % (47 of 51)
Backbone	95.3 % (284 of 298)	97.0 % (97 of 100)	94.7 % (143 of 151)	93.6 % (44 of 47)
Sidechain	90.8 % (314 of 346)	94.9 % (203 of 214)	84.4 % (108 of 128)	75.0 % (3 of 4)
Aromatic	47.7 % (21 of 44)	81.8 % (18 of 22)	9.5 % (2 of 21)	100.0 % (1 of 1)
Methyl	95.5 % (42 of 44)	95.5 % (21 of 22)	95.5 % (21 of 22)

1. WSTF-PHD

ARCKVCRKKG EDDKLILCDE CNKAFHLFCL RPALYEVPDG EWQCPACQPA T

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	WSTF-PHD	[U-15N; U-13C]		1.0 mM

LACS Plot; CA

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

Referencing offset: -0.56 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.56 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.43 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1F62, Strand ID: A Detail

Release date

2001-01-18

Citation

Structure of the PHD zinc finger from human Williams-Beuren syndrome transcription factor
Pascual, J., Martinez-Yamout, M., Dyson, H., Wright, P.E.
J. Mol. Biol. (2000), 304, 723-729, PubMed 11124022 , DOI 10.1006/jmbi.2000.4308 , Abstract

Related entities 1. WSTF-PHD, : 1 : 2 : 3 : 366 entities Detail

Interaction partners 1. WSTF-PHD, : 25 interactors Detail

More details for 25 interactors identified by 12 citations

Experiments performed 9 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4928_3.str
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	Warning

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)
1:3:CYS:SG	2:1:ZN:ZN	reduced, CA 58.73, CB 31.534 ppm	unknown	n/a
1:6:CYS:SG	2:1:ZN:ZN	reduced, CA 58.977, CB 31.252 ppm	unknown	n/a
1:26:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a
1:29:CYS:SG	2:1:ZN:ZN	reduced, CA 62.292, CB 30.418 ppm	unknown	n/a
1:18:CYS:SG	3:1:ZN:ZN	oxidized, CA 57.684, CB 42.196 ppm	unknown	n/a
1:21:CYS:SG	3:1:ZN:ZN	oxidized 7.4%, reduced 92.6%, CA 59.276, CB 32.089 ppm	unknown	n/a
1:44:CYS:SG	3:1:ZN:ZN	reduced, CA 56.962, CB 30.863 ppm	unknown	n/a
1:47:CYS:SG	3:1:ZN:ZN	reduced, CA 62.013, CB 30.669 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr4928_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	591		100.0 (chain: 1, length: 51)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 51, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 340
  - ¹³C chemical shifts: 202
  - ¹⁵N chemical shifts: 49
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
26	HIS	ND1	224.24
26	HIS	NE2	169.572

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	214	201	93.9
¹³C chemical shifts	128	107	83.6
¹⁵N chemical shifts	7	3	42.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	314	298	94.9
¹³C chemical shifts	230	202	87.8
¹⁵N chemical shifts	54	47	87.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	100	97	97.0
¹³C chemical shifts	102	95	93.1
¹⁵N chemical shifts	47	44	93.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	18	81.8
¹³C chemical shifts	21	2	9.5
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (2.319 seconds)

BMRB: 4928

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. WSTF-PHD, : 1 : 2 : 3 : 366 entities Detail

Interaction partners 1. WSTF-PHD, : 25 interactors Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 4 contents Detail