BMRBj - BMREntryMaster

Found 1 Document (1.541 seconds)

BMRB: 4410

1QK7

Three dimensional structure of Selenocosmia huwena Lectin-I (SHL-I) from the venom of the spider Selenocosmia huwena by 2D-NMR

Authors

Lu, S., Liang, S., Gu, X.

Assembly

SHL-I

Entity

1. SHL-I (polymer), 32 monomers, 3546.045 Da Detail

GCLGDKCDYN NGCCSGYVCS RTWKWCVLAG PW

Formula weight

3546.045 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS14:SG
2	disulfide	sing	1:CYS7:SG	1:CYS19:SG
3	disulfide	sing	1:CYS13:SG	1:CYS26:SG

Source organism

Haplopelma schmidti

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.0 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	95.0 % (171 of 180)	95.0 % (171 of 180)
Backbone	98.5 % (67 of 68)	98.5 % (67 of 68)
Sidechain	92.9 % (104 of 112)	92.9 % (104 of 112)
Aromatic	100.0 % (26 of 26)	100.0 % (26 of 26)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. Selenocosmia huwena lectin-I

GCLGDKCDYN NGCCSGYVCS RTWKWCVLAG PW

Show sample condition

Sample

Temperature 283 (±1) K, pH 4.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Selenocosmia huwena lectin-I			5.0 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 1QK7, Strand ID: A Detail

Coupling constant

11 J values in 1 lists
Temperature 283 (±1) K, pH 4.5 (±0.1) Detail

Release date

1999-10-25

Citation 1

Three-dimensional structure of Selenocosmia huwena lectin-I (SHL-I) from the venom of the spider Selenocosmia huwena by 2D-NMR
Lu, S., Liang, S., Gu, X.
J. Protein Chem. (1999), 18, 609-617, PubMed 10524779 , DOI: , Abstract

Show more 1 citaion

Citation 2

A lectin-like peptide isolated from the venom of the Chinese bird spider Selenocosmia huwena
Liang, S.P., Pan, X.
Toxicon. (1995), 33, 875-882, PubMed 8588212 , DOI: , Abstract

Hide non-primary 1 citaion

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q86C51 released on 2004-04-13
Title TXL1_HAPSC Entity U5-theraphotoxin-Hh1a

Related entities 1. SHL-I, : 1 : 6 : 2 : 16 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4410_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)
1:2:CYS:SG	1:14:CYS:SG	unknown	unknown	n/a
1:7:CYS:SG	1:19:CYS:SG	unknown	unknown	n/a
1:13:CYS:SG	1:26: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: bmr4410_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	197		100.0 (chain: 1, length: 32)
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: 32, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 197
- 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)
6	LYS	HZ1	7.68
6	LYS	HZ2	7.68
6	LYS	HZ3	7.68
24	LYS	HZ1	7.51
24	LYS	HZ2	7.51
24	LYS	HZ3	7.51

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	180	171	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	67	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	112	104	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	26	100.0

Keywords lectin

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Found 1 Document (1.541 seconds)

BMRB: 4410

Sample

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. SHL-I, : 1 : 6 : 2 : 16 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail