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BMRB: 16747

2KUY

Glycocin A

Authors

Venugopal, H., Edwards, P., Schwalbe, M., Claridge, J., Stepper, J., Patchett, M., Loo, T., Libich, D., Norris, G., Pascal, S.

Assembly

Glycocin A

Entity

1. Glycocin A (polymer, Thiol state: disulfide and other bound), 43 monomers, 4800.330 Da Detail

KPAWCWYTLA MCGAGYDSGT CDYMYSHCFG IKHHSSGSSS YHC

2. NAG (non-polymer), 221.208 × 2 Da

Total weight

5242.746 Da

Max. entity weight

4800.33 Da

Entity Connection

disulfide 2, covalent 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS28:SG
2	disulfide	sing	1:CYS12:SG	1:CYS21:SG
3	covalent	sing	1:CYS43:SG	2:NAG1:C1

Source organism

Lactiplantibacillus plantarum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.2 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.2 % (398 of 467)	97.5 % (230 of 236)	66.8 % (125 of 187)	97.7 % (43 of 44)
Backbone	82.4 % (211 of 256)	98.9 % (89 of 90)	65.3 % (81 of 124)	97.6 % (41 of 42)
Sidechain	90.4 % (225 of 249)	96.6 % (141 of 146)	81.2 % (82 of 101)	100.0 % (2 of 2)
Aromatic	78.9 % (71 of 90)	93.3 % (42 of 45)	62.8 % (27 of 43)	100.0 % (2 of 2)
Methyl	94.4 % (17 of 18)	100.0 % (9 of 9)	88.9 % (8 of 9)

1. Glycocin A

KPAWCWYTLA MCGAGYDSGT CDYMYSHCFG IKHHSSGSSS YHC

Show sample condition

Sample

Solvent system 40% Acetonitrile 50% H2O 10% D20, Pressure 1 atm, Temperature 310 K

#	Name	Isotope labeling	Concentration
1	Glycocin A	natural abundance	3 mM
2	Acetonitrile	natural abundance	40 %
3	H2O	natural abundance	50 %
4	D2O	[U-2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.29 ppm	internal	indirect	0.2514502
¹H	water	protons	4.29 ppm	internal	direct	1.0
¹⁵N	water	protons	4.29 ppm	internal	indirect	0.1013291

Referencing offset: 2.62 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.29 ppm	internal	indirect	0.2514502
¹H	water	protons	4.29 ppm	internal	direct	1.0
¹⁵N	water	protons	4.29 ppm	internal	indirect	0.1013291

Referencing offset: 2.62 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.29 ppm	internal	indirect	0.2514502
¹H	water	protons	4.29 ppm	internal	direct	1.0
¹⁵N	water	protons	4.29 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 12 models in PDB: 2KUY, Strand ID: A Detail

Release date

2011-03-07

Citation

Structure of Glycocin A
Venugopal, H., Edwards, P., Schwalbe, M., Claridge, J., Stepper, J., Patchett, M., Loo, T., Libich, D., Norris, G., Pascal, S.
Proteins

Related entities 1. Glycocin A, : 1 : 1 : 1 : 5 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC