BMRB Entry 4455

Name: Glycan-free mutant adhesion domain of human CD58 (LFA-3)
Published: 1999-12-22

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PDB ID: 1ci5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4455
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Glycan-free mutant adhesion domain of human CD58 (LFA-3)

Deposition date:

1999-11-11

Original release date:

1999-12-22

Authors:

Sun, Z. Y.; Dotsch, V.; Kim, M.; Li, J.; Reinherz, E.; Wagner, G.

Citation:

Citation: Sun, Z. Y.; Dotsch, V.; Kim, M.; Li, J.; Reinherz, E.; Wagner, G.. "Functional Glycan-free Adhesion Domain of Human Cell Surface Receptor CD58: Design, Production, and NMR Studies" EMBO J. 18, 2941-2949 (1999).

Assembly members:

Assembly members:
1dCD58, polymer, 95 residues, 11200 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: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
1dCD58: SSQQIYGVKYGNVTFHVPSN QPLKEVLWKKQKDKVAELEN SEFRAFSSFKNRVYLDTKSG SLTIYNLTSSDEDEYEMESP NITDSMKFFLYVGES

Data sets:

assigned_chemical_shifts
- chem_shift_set_1

Data type	Count
13C chemical shifts	375
15N chemical shifts	97
1H chemical shifts	603

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	1dCD58	1

Entities:

Entity 1, 1dCD58 95 residues - 11200 Da.

1

SER

GLN

ILE

TYR

GLY

VAL

LYS

TYR

2

GLY

ASN

VAL

THR

PHE

HIS

VAL

PRO

SER

ASN

3

GLN

PRO

LEU

LYS

GLU

VAL

LEU

TRP

LYS

4

GLN

LYS

ASP

LYS

VAL

ALA

GLU

LEU

GLU

ASN

5

SER

GLU

PHE

ARG

ALA

PHE

SER

PHE

LYS

6

ASN

ARG

VAL

TYR

LEU

ASP

THR

LYS

SER

GLY

7

SER

LEU

THR

ILE

TYR

ASN

LEU

THR

SER

8

ASP

GLU

ASP

GLU

TYR

GLU

MET

GLU

SER

PRO

9

ASN

ILE

THR

ASP

SER

MET

LYS

PHE

LEU

10

TYR

VAL

GLY

GLU

SER

Samples:

sample_1: 1dCD58, [U-13C; U-15N], 0.2 – 0.6 mM; NaPO4 10 mM; D2O 10%

sample_cond_1: ionic strength: 0.01 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	sample_cond_1
NOESY-HSQC	sample_1	not available	sample_cond_1
HNCA	sample_1	not available	sample_cond_1
CBCA(CO)NH	sample_1	not available	sample_cond_1
HBHA(CBCACO)NH	sample_1	not available	sample_cond_1
HCCH-TOCSY	sample_1	not available	sample_cond_1
HNHA	sample_1	not available	sample_cond_1
HNHB	sample_1	not available	sample_cond_1
HNCO	sample_1	not available	sample_cond_1
HN(CA)CO	sample_1	not available	sample_cond_1

Software:

XEASY -

DIANA -

DYANA -

XPLOR -

NMR spectrometers:

Bruker AMX 500 MHz
Varian UnityInova 500 MHz
Varian UnityInova 750 MHz