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BMRB: 17883

2LI8

The solution structure of the Lin28-ZnF domains bound to AGGAGAU of pre-let-7 miRNA

Authors

Allain, F.H.-T., Loughlin, F.E.

Assembly

Lin28-ZnF domains bound to AGGAGAU of pre-let-7 miRNA

Entity

1. Lin28-ZnF (polymer), 74 monomers, 8015.231 Da Detail

SSGLVPRGSH MPKGKSMQKR RSKGDRCYNC GGLDHHAKEC KLPPQPKKCH FCQSISHMVA SCPLKAQQGP SAQG

2. AGGAGAU (polymer, Thiol state: not present), 7 monomers, 2347.415 Da Detail

AGGAGAU

3. ZN (non-polymer), 65.409 Da

Total weight

10428.056 Da

Max. entity weight

8015.231 Da

Entity Connection

na 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS27:SG	3:ZN1:ZN
2	na	sing	1:CYS30:SG	3:ZN1:ZN
3	na	sing	1:CYS40:SG	3:ZN1:ZN
4	na	sing	1:CYS49:SG	3:ZN1:ZN
5	na	sing	1:CYS52:SG	3:ZN1:ZN
6	na	sing	1:CYS62:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

Simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.7 %, Completeness: 71.1 %, Completeness (bb): 64.3 % Detail

Polymer type: polypeptide(L) polyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	71.1 % (673 of 947)	81.9 % (417 of 509)	53.6 % (193 of 360)	80.8 % (63 of 78)
Backbone	64.3 % (326 of 507)	79.6 % (152 of 191)	47.4 % (118 of 249)	83.6 % (56 of 67)
Sidechain	79.4 % (402 of 506)	83.3 % (265 of 318)	73.4 % (130 of 177)	63.6 % (7 of 11)
Aromatic	57.4 % (39 of 68)	79.4 % (27 of 34)	40.0 % (12 of 30)	0.0 % (0 of 4)
Methyl	77.8 % (28 of 36)	77.8 % (14 of 18)	77.8 % (14 of 18)

1. Lin28-ZnF

SSGLVPRGSH MPKGKSMQKR RSKGDRCYNC GGLDHHAKEC KLPPQPKKCH FCQSISHMVA SCPLKAQQGP SAQG

2. AGGAGAU

AGGAGAU

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

Sample #3

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
21	sodium acetate	[U-99% 2H]	10 (±1.0) mM
22	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
23	ZnCl2	natural abundance	1.6 (±0.1) mM
24	Lin28-ZnF	[U-10% 13C; U-99% 15N]	0.8 (±0.1) mM
25	AGGAGAU	natural abundance	0.8 (±0.1) mM
26	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: -0.2 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.2 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LI8, Strand ID: A Detail

Release date

2011-12-07

Citation

Structural basis of pre-let-7 miRNA recognition by the zinc knuckles of pluripotency factor Lin28
Loughlin, F.E., Gebert, L.F.R., Towbin, H., Brunschweiger, A., Hall, J., Allain, F.
Nat. Struct. Mol. Biol. (2011), 19, 84-89, PubMed 22157959 , DOI 10.1038/nsmb.2202 , Abstract

Related entities 1. Lin28-ZnF, : 1 : 2 : 30 entities Detail

Experiments performed 20 experiments Detail

1 3D_15N-separated_NOESY 3D_13C-separated_NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

2 3D 1H-13C NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

3 2D 1H-15N HSQC

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

4 2D 1H-13C HSQC aliphatic

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

5 2D 1H-13C HSQC aromatic

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

6 3D CBCA(CO)NH

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

7 3D HNCACB

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

8 3D HNCO

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

9 3D H(CCO)NH

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

10 3D HCCH-TOCSY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

11 2D 1H-1H TOCSY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

12 2D-F1f-F2f-NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

13 2D-F2f-NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

14 3D-F3f-NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
8	sodium acetate	[U-99% 2H]	10 (±1.0) mM
9	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
10	ZnCl2	natural abundance	1.6 (±0.1) mM
11	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
12	AGGAGAU	natural abundance	0.8 (±0.1) mM
13	D2O	natural abundance	100 %

15 2D 1H-15N HMQC

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

16 2D 1H-1H NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

17 2D 1H-1H NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

18 2D 1H-13C HSQC

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
21	sodium acetate	[U-99% 2H]	10 (±1.0) mM
22	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
23	ZnCl2	natural abundance	1.6 (±0.1) mM
24	Lin28-ZnF	[U-10% 13C; U-99% 15N]	0.8 (±0.1) mM
25	AGGAGAU	natural abundance	0.8 (±0.1) mM
26	D2O	natural abundance	100 %

19 3D-F3fe-NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
1	sodium acetate	[U-99% 2H]	10 (±1.0) mM
2	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
3	ZnCl2	natural abundance	1.6 (±0.1) mM
4	Lin28-ZnF	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	AGGAGAU	natural abundance	0.8 (±0.1) mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

20 3D 1H-15N NOESY

Instrument

Bruker AV-III - 500 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.6, Details 10 mM sodium-acetate pH 5.6, 1.5 mM beta-mercaptoethanol, 0.15 mM ZnCl2

#	Name	Isotope labeling	Concentration
14	sodium acetate	[U-99% 2H]	10 (±1.0) mM
15	beta-mercaptoethanol	natural abundance	1.5 (±0.2) mM
16	ZnCl2	natural abundance	1.6 (±0.1) mM
17	Lin28-ZnF	[U-99% 15N]	0.8 (±0.1) mM
18	AGGAGAU	natural abundance	0.8 (±0.1) mM
19	H2O	natural abundance	90 %
20	D2O	natural abundance	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17883_2li8.nef
Input source #2: Coordindates	2li8.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	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)
1:35:HIS:NE2	3:1:ZN:ZN	unknown	unknown	n/a
1:30:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:52:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a
1:27:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:49:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a
1:40:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:57:HIS:NE2	3:2:ZN:ZN	unknown	unknown	n/a
1:62:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	ZN	ZINC ION	None
C	2	ZN	ZINC ION	None

Sequence alignments

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

-----120-------130-------140-------150-------160-------170-------180------
SSGLVPRGSHMPKGKSMQKRRSKGDRCYNCGGLDHHAKECKLPPQPKKCHFCQSISHMVASCPLKAQQGPSAQG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SSGLVPRGSHMPKGKSMQKRRSKGDRCYNCGGLDHHAKECKLPPQPKKCHFCQSISHMVASCPLKAQQGPSAQG
--------10--------20--------30--------40--------50--------60--------70----

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

-------
AGGAGAU
|||||||
AGGAGAU

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	74	0	0	100.0
B	B	7	0	0	100.0

Content subtype: combined_17883_2li8.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	8		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	673		85.1 (chain: A, length: 74), 100.0 (chain: B, length: 7)
1	Distance restraints	AMBER_distance_constraints_2	Warning	2205 (1)	noe	82.4 (chain: A, length: 74), 100.0 (chain: B, length: 7)
1	Dihedral angle restraints	AMBER_dihedral_3	OK	61 (61)	.	55.4 (chain: A, length: 74), 100.0 (chain: B, length: 7)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 74, Sequence coverage: 85.1%
  - Entity_assembly_ID: B, Chain length: 7, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 418
  - ¹³C chemical shifts: 191
  - ¹⁵N chemical shifts: 64
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- 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: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
147	HIS	HD1	11.533
147	HIS	ND1	171.875
169	HIS	HD1	12.061
169	HIS	ND1	174.547

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	452	368	81.4
¹³C chemical shifts	314	191	60.8
¹⁵N chemical shifts	78	62	79.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	149	114	76.5
¹³C chemical shifts	148	61	41.2
¹⁵N chemical shifts	67	55	82.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	303	254	83.8
¹³C chemical shifts	166	130	78.3
¹⁵N chemical shifts	11	7	63.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	16	76.2
¹³C chemical shifts	21	16	76.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	16	84.2
¹³C chemical shifts	19	12	63.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	57	48	84.2
¹³C chemical shifts	46	0	0.0
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	37	88.1
¹³C chemical shifts	35	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	11	73.3
¹³C chemical shifts	11	0	0.0
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	9	100.0
¹³C chemical shifts	9	0	0.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: AMBER_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 74, Sequence coverage: 82.4%
  - Entity_assembly_ID: B, Chain length: 7, Sequence coverage: 100.0%
- Total number of restraints: 2201
- Weight of restraints: 1.0 (2201)
- Potential type of restraints: square-well-parabolic (2201)
- Range of distance target values: 2.4, 5.2 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
    None
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: AMBER_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 74, Sequence coverage: 55.4%
  - Entity_assembly_ID: B, Chain length: 7, Sequence coverage: 100.0%
- Total number of restraints: 61
- Total number of restraints per polymer type: 61
- Weight of restraints: 1.0 (61)
- Potential type of restraints: square-well-parabolic (61)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

Keywords micro RNA, protein/RNA, zinc finger

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BMRB: 17883

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Lin28-ZnF, : 1 : 2 : 30 entities Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 4 contents Detail