BMRB Entry 19947

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PDB ID: 2mop
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19947
MolProbity Validation Chart

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Title:
Structure of Bitistatin_A
Deposition date:
2014-04-29
Original release date:
2014-11-10
Authors:
Carbajo, Rodrigo; Calvete, Juan Jose; Sanz, Libia; Perez, Alicia
Citation:

Citation: Carbajo, Rodrigo; Calvete, Juan Jose; Sanz, Libia; Perez, Alicia. "NMR structure of bitistatin, a missing piece in the evolutionary pathway of snake venom disintegrins"  FEBS J. ., .-. (2014).
PubMed: 25363287

Assembly members:

Assembly members:
Bitistatin_A, polymer, 83 residues, 9014.037 Da.

Natural source:

Natural source:   Common Name: puff adder   Taxonomy ID: 8692   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bitis arietans

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bitistatin_A: SPPVCGNKILEQGEDCDCGS PANCQDRCCNAATCKLTPGS QCNYGECCDQCRFKKAGTVC RIARGDWNDDYCTGKSSDCP WNH

Data sets:
Data typeCount
1H chemical shifts511
13C chemical shifts201
15N chemical shifts77

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 83 residues - 9014.037 Da.

Seven S-S covalent bonds between cysteine residues: 5-24, 16-34, 18-29, 28-51, 42-48, 47-72, 60-79

1   SERPROPROVALCYSGLYASNLYSILELEU
2   GLUGLNGLYGLUASPCYSASPCYSGLYSER
3   PROALAASNCYSGLNASPARGCYSCYSASN
4   ALAALATHRCYSLYSLEUTHRPROGLYSER
5   GLNCYSASNTYRGLYGLUCYSCYSASPGLN
6   CYSARGPHELYSLYSALAGLYTHRVALCYS
7   ARGILEALAARGGLYASPTRPASNASPASP
8   TYRCYSTHRGLYLYSSERSERASPCYSPRO
9   TRPASNHIS

Related Database Links:

BMRB 19963
PDB 2MOP 2MP5
GB AAY43681 AAY43684
SP P17497
AlphaFold P17497

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks