BMRB Entry 16396

Name: The solution structure of CBD of human MCM6
Published: 2010-05-20

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PDB ID: 2klq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16396
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The solution structure of CBD of human MCM6

Deposition date:

2009-07-08

Original release date:

2010-05-20

Authors:

Liu, Changdong

Citation:

Citation: Wei, Zhun; Liu, Changdong; Wu, Xing; Xu, Naining; Zhou, Bo; Liang, Chun; Zhu, Guang. "Characterization and structure determination of the Cdt1 binding domain of human minichromosome maintenance (Mcm) 6." J. Biol. Chem. 285, 12469-12473 (2010).
PubMed: 20202939

Assembly members:

Assembly members:
CBD, polymer, 114 residues, 13304.011 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CBD: APKASLRLGFSEYSRISNLI VLHLRKVEEEEDESALKRSE LVNWYLKEIESEIDSEEELI NKKRIIEKVIHRLTHYDHVL IELTQAGLKGSTEGSESYEE DPYLVVNPNYLLED

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	414
15N chemical shifts	109
1H chemical shifts	749

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CBD	1

Entities:

Entity 1, CBD 114 residues - 13304.011 Da.

1

ALA

PRO

LYS

ALA

SER

LEU

ARG

LEU

GLY

PHE

2

SER

GLU

TYR

SER

ARG

ILE

SER

ASN

LEU

ILE

3

VAL

LEU

HIS

LEU

ARG

LYS

VAL

GLU

4

GLU

ASP

GLU

SER

ALA

LEU

LYS

ARG

SER

GLU

5

LEU

VAL

ASN

TRP

TYR

LEU

LYS

GLU

ILE

GLU

6

SER

GLU

ILE

ASP

SER

GLU

LEU

ILE

7

ASN

LYS

ARG

ILE

GLU

LYS

VAL

ILE

8

HIS

ARG

LEU

THR

HIS

TYR

ASP

HIS

VAL

LEU

9

ILE

GLU

LEU

THR

GLN

ALA

GLY

LEU

LYS

GLY

10

SER

THR

GLU

GLY

SER

GLU

SER

TYR

GLU

11

ASP

PRO

TYR

LEU

VAL

ASN

PRO

ASN

TYR

12

LEU

GLU

ASP

Samples:

sample_1: CBD, [U-100% 13C; U-100% 15N], 0.5 mM; MES 50 mM; EDTA 1 mM; Glycerol 5%; NaCl 500 mM; H2O 90%; D2O 10%

sample_2: CBD, [U-100% 13C; U-100% 15N], 0.5 mM; MES 50 mM; EDTA 1 mM; Glycerol 5%; NaCl 500 mM; D2O 100%

sample_3: CBD 0.5 mM; MES 50 mM; EDTA 1 mM; Glycerol 5%; NaCl 500 mM; D2O 100%

sample_conditions_1: ionic strength: 0.5 M; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HCCH-COSY	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_3	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure solution

SPARKY v3.113, Goddard - chemical shift assignment, peak picking

CNS v1.1, A.T. Brunger - refinement

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 500 MHz

BMRB	16796 17702
PDB	2KLQ 2LE8
DBJ	BAA12699 BAE01174 BAG35469 BAG61268
GB	AAB48165 AAC50766 AAH32374 AAI12449 AAO26043
REF	NP_001039699 NP_001247544 NP_001270984 NP_005906 XP_001154732
SP	Q14566 Q2KIZ8
AlphaFold	Q14566 Q2KIZ8