BMRBj - BMREntryMaster

Found 1 Document (1.692 seconds)

BMRB: 4686

8U1U

The Human CC Chemokine I-309, Structural Consequences of the Additional Disulfide Bond.

Authors

Keizer, D.W., Crump, M.P., Lee, T., Slupsky, C.M., Clark-Lewis, I., Sykes, B.D.

Assembly

I-309

Entity

1. I-309 (polymer, Thiol state: all disulfide bound), 74 monomers, 8577.051 Da Detail

SKSMQVPFSR CCFSFAEQEI PLRAILCYRN TSSICSNEGL IFKLKRGKEA CALDTVGWVQ RHRKMLRHCP SKRK

Formula weight

8577.051 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS35:SG
2	disulfide	sing	1:CYS12:SG	1:CYS51:SG
3	disulfide	sing	1:CYS27:SG	1:CYS69:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 78.2 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	78.2 % (373 of 477)	78.2 % (373 of 477)
Backbone	95.3 % (141 of 148)	95.3 % (141 of 148)
Sidechain	70.5 % (232 of 329)	70.5 % (232 of 329)
Aromatic	58.8 % (20 of 34)	58.8 % (20 of 34)
Methyl	100.0 % (32 of 32)	100.0 % (32 of 32)

1. Human I-309 chemokine

SKSMQVPFSR CCFSFAEQEI PLRAILCYRN TSSICSNEGL IFKLKRGKEA CALDTVGWVQ RHRKMLRHCP SKRK

Show sample condition

Sample

Temperature 303 (±0.5) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Human I-309 chemokine			2.2 mM

Protein Blocks Logo

Calculated from 30 models in PDB: 1EL0, Strand ID: A Detail

Coupling constant

54 J values in 1 lists
Field strength (¹H) na MHz, Temperature 303 (±0.5) K, pH 5.0 (±0.1) Detail

Release date

2000-06-15

Citation

Human CC chemokine I-309, structural consequences of the additional disulfide bond
Keizer, D.W., Crump, M.P., Lee, T., Slupsky, C.M., Clark-Lewis, I., Sykes, B.D.
Biochemistry (2000), 39, 6053-6059, PubMed 10821677 , DOI 10.1021/bi000089l , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P22362 released on 1991-08-01
Title CCL1_HUMAN Entity C-C motif chemokine 1

Related entities 1. I-309, : 1 : 5 : 104 entities Detail

Interaction partners 1. I-309, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4686_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:11:CYS:SG	1:35:CYS:SG	unknown	unknown	n/a
1:12:CYS:SG	1:51:CYS:SG	unknown	unknown	n/a
1:27:CYS:SG	1:69:CYS:SG	unknown	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4686_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	431		97.3 (chain: 1, length: 74)
1	Chemical shift references	chemical_shift_reference	OK	1		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 74, Sequence coverage: 97.3%
- Total number of assignments
  - ¹H chemical shifts: 431
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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)
62	HIS	HD1	6.52
68	HIS	HD1	7.11

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	477	365	76.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	148	142	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	329	223	67.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	32	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	20	58.8

Keywords chemokine, I-309

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Found 1 Document (1.692 seconds)

BMRB: 4686

Sample

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. I-309, : 1 : 5 : 104 entities Detail

Interaction partners 1. I-309, : 1 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 3 contents Detail