BMRB: 6599

Solution Structure of Bacillus subtilis s-BCCP holo-form

Authors

Cui, G., Xia, B.

Assembly

Biotin Carboxyl Carrier Protein

Entity

1. Biotin Carboxyl Carrier Protein (polymer, Thiol state: not present), 72 monomers, 7910.012 Da Detail

TVSIQMAGNL WKVHVKAGDQ IEKGQEVAIL ESMKMEIPIV ADRSGIVKEV KKKEGDFVNE GDVLLELSNS TQ

2. 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL (non-polymer), 1 monomers, 228.311 Da

Total weight

8138.323 Da

Max. entity weight

7910.012 Da

Entity Connection

covalent 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:LYS34:NZ	2:BTI1:C11

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.6 %, Completeness: 95.0 %, Completeness (bb): 94.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.0 % (794 of 836)	93.6 % (408 of 436)	96.6 % (310 of 321)	96.2 % (76 of 79)
Backbone	94.9 % (408 of 430)	93.3 % (139 of 149)	95.7 % (201 of 210)	95.8 % (68 of 71)
Sidechain	95.8 % (452 of 472)	93.7 % (269 of 287)	98.9 % (175 of 177)	100.0 % (8 of 8)
Aromatic	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (12 of 12)	100.0 % (1 of 1)
Methyl	97.8 % (90 of 92)	97.8 % (45 of 46)	97.8 % (45 of 46)

1. Biotin Carboxyl Carrier Protein

TVSIQMAGNL WKVHVKAGDQ IEKGQEVAIL ESMKMEIPIV ADRSGIVKEV KKKEGDFVNE GDVLLELSNS TQ

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Biotin Carboxyl Carrier Protein	[U-13C; U-15N]		1.2 mM
2	phosphate buffer			50 mM
3	H2O			90 %
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 16.7 %, Completeness: 51.7 %, Completeness (bb): 53.7 % Detail

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• BMRB/XML (partial)
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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	51.7 % (865 of 1672)	49.4 % (431 of 872)	54.2 % (348 of 642)	54.4 % (86 of 158)
Backbone	53.7 % (462 of 860)	51.0 % (152 of 298)	55.2 % (232 of 420)	54.9 % (78 of 142)
Sidechain	50.8 % (480 of 944)	48.6 % (279 of 574)	54.5 % (193 of 354)	50.0 % (8 of 16)
Aromatic	50.0 % (26 of 52)	50.0 % (13 of 26)	50.0 % (12 of 24)	50.0 % (1 of 2)
Methyl	53.3 % (98 of 184)	52.2 % (48 of 92)	54.3 % (50 of 92)

1. Biotin Carboxyl Carrier Protein

TVSIQMAGNL WKVHVKAGDQ IEKGQEVAIL ESMKMEIPIV ADRSGIVKEV KKKEGDFVNE GDVLLELSNS TQ

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Biotin Carboxyl Carrier Protein	[U-13C; U-15N]		1.2 mM
2	phosphate buffer			50 mM
3	H2O			90 %
4	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1Z6H, Strand ID: A Detail

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Release date

2007-01-25

Citation

Identification and solution structures of a single domain biotin/lipoyl attachment protein from Bacillus subtilis
Cui, G., Nan, B., Hu, J., Wang, Y., Jin, C., Xia, B.
J. Biol. Chem. (2006), 281, 20598-20607, PubMed 16699181 , DOI 10.1074/jbc.M602660200 , Abstract

Related entities 1. Biotin Carboxyl Carrier Protein, : 1 : 4 : 230 entities Detail

Experiments performed 3 experiments Detail