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BMRB: 4153

1RXR

High-Resolution Solution Structure of the Retinoid X Receptor DNA-Binding Domain

Authors

Holmbeck, S.M.A., Foster, M.P., Casimiro, D.R., Sem, D., Dyson, H.J., Wright, P.E.

Assembly

Retinoid-X-Receptor -alpha DNA Binding domain

Entity

1. RXR-alpha (polymer, Thiol state: all other bound), 83 monomers, 9837.286 Da Detail

FTKHICAICG DRSSGKHYGV YSCEGCKGFF KRTVRKDLTY TCRDNKDCLI DKRQRNRCQY CRYQKALAMG MKREAVQEER QRX

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

9968.1045 Da

Max. entity weight

9837.286 Da

Entity Connection

metal coordination 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS6:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS9:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS23:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS26:SG	2:ZN1:ZN
5	metal coordination	sing	1:CYS42:SG	2:ZN1:ZN
6	metal coordination	sing	1:CYS48:SG	2:ZN1:ZN
7	metal coordination	sing	1:CYS58:SG	2:ZN1:ZN
8	metal coordination	sing	1:CYS61:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 83.8 %, Completeness (bb): 82.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.8 % (824 of 983)	89.9 % (472 of 525)	72.6 % (268 of 369)	94.4 % (84 of 89)
Backbone	82.7 % (407 of 492)	97.6 % (166 of 170)	67.5 % (162 of 240)	96.3 % (79 of 82)
Sidechain	86.6 % (491 of 567)	86.2 % (306 of 355)	87.8 % (180 of 205)	71.4 % (5 of 7)
Aromatic	51.3 % (40 of 78)	51.3 % (20 of 39)	51.3 % (20 of 39)
Methyl	100.0 % (52 of 52)	100.0 % (26 of 26)	100.0 % (26 of 26)

1. RXR-alpha

FTKHICAICG DRSSGKHYGV YSCEGCKGFF KRTVRKDLTY TCRDNKDCLI DKRQRNRCQY CRYQKALAMG MKREAVQEER QRX

Show sample condition

Sample

Temperature 300 (±0.5) K, pH 6.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	RXR-alpha			1.7 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	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 2.04 ppm, Outliers: 1 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	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 2.04 ppm, Outliers: 1 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	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

1998-06-23

Citation

High-resolution solution structure of the retinoid X receptor DNA-binding domain
Holmbeck, S.M.A., Foster, M.P., Casimiro, D.R., Sem, D.S., Dyson, H.J., Wright, P.E.
J. Mol. Biol. (1998), 281, 271-284, PubMed 9698548 , DOI 10.1006/jmbi.1998.1908 , Abstract

Related entities 1. RXR-alpha, : 1 : 25 : 274 entities Detail

Interaction partners 1. RXR-alpha, : 52 interactors Detail

More details for 52 interactors identified by 34 citations

Experiments performed 14 experiments Detail

1 CBCA(CO)NH