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Found 1 Document (1.97 seconds)

BMRB: 5885

1PZQ

CHEMICAL SHIFTS OF A FUSED DOCKING DOMAIN FROM THE ERYTHROMYCIN POLYKETIDE SYNTHASE (DEBS), A MODEL FOR THE INTERACTION BETWEEN DEBS 2 AND DEBS 3

Authors

Broadhurst, R.W., Nietlispach, D., Wheatcroft, M.P., Leadlay, P.F., Weissman, K.J.

Assembly

DIMER OF FUSED DOCKING DOMAINS OF DEBS2 AND DEBS3

Entity

1. DIMER OF FUSED DOCKING DOMAINS OF DEBS2 AND DEBS3 (polymer, Thiol state: not present), 120 monomers, 13235.29 × 2 Da Detail

GSAASPAVDI GDRLDELEKA LEALSAEDGH DDVGQRLESL LRRWNSRRAD APSTSAISED ASDDELFSML DQRFGGGEDL LMSGDNGMTE EKLRRYLKRT VTELDSVTAR LREVEHRAGE

Total weight

26470.58 Da

Max. entity weight

13235.29 Da

Source organism

Saccharopolyspora erythraea

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 84.3 %, Completeness (bb): 90.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.3 % (1095 of 1299)	84.9 % (574 of 676)	81.2 % (406 of 500)	93.5 % (115 of 123)
Backbone	90.2 % (646 of 716)	93.1 % (231 of 248)	87.1 % (305 of 350)	93.2 % (110 of 118)
Sidechain	78.1 % (541 of 693)	80.1 % (343 of 428)	74.2 % (193 of 260)	100.0 % (5 of 5)
Aromatic	93.8 % (45 of 48)	91.7 % (22 of 24)	95.7 % (22 of 23)	100.0 % (1 of 1)
Methyl	80.3 % (98 of 122)	82.0 % (50 of 61)	78.7 % (48 of 61)

1. 6-deoxyerythronolide B synthase

GSAASPAVDI GDRLDELEKA LEALSAEDGH DDVGQRLESL LRRWNSRRAD APSTSAISED ASDDELFSML DQRFGGGEDL LMSGDNGMTE EKLRRYLKRT VTELDSVTAR LREVEHRAGE

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.27 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 8 models in PDB: 1PZQ, Strand ID: A, B Detail

Release date

2003-10-05

Citation

The structure of docking domains in modular polyketide synthases
Broadhurst, R.W., Nietlispach, D., Wheatcroft, M.P., Leadlay, P.F., Weissman, K.J.
Chem. Biol. (2003), 10, 723-731, PubMed 12954331 , DOI: , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q03132 released on 1993-10-01
Title ERYA2_SACER Entity Erythronolide synthase, modules 3 and 4

Related entities 1. DIMER OF FUSED DOCKING DOMAINS OF DEBS2 AND DEBS3, : 1 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

2 2D 1H-13C HSQC

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

3 3D HNCACB

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

4 3D CBCA(CO)NH

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

5 3D HBHA(CBCACO)NH

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

6 3D HNCA

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

7 3D HN(CO)CA

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

8 3D HNCO

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

9 3D 15N-SEPARATED NOESY

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

10 3D 15N-SEPARATED TOCSY

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

11 3D 13C-SEPARATED NOESY

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

12 3D HCCH-TOCSY

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

13 3D 13C/15N X-FILTERED 13C-SEPARATED NOESY

Instrument

#1 Model Bruker DRX (500 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-deoxyerythronolide B synthase	[U-100% 13C; U-100% 15N]		1.0 mM
2	NaH2PO4			100 mM

Sample #2

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	6-deoxyerythronolide B synthase	[100% 13C; 100% 15N]		0.5 mM
4	6-deoxyerythronolide B synthase			0.5 mM

nullKeywords NMR, polyketide synthase, DEBS

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Found 1 Document (1.97 seconds)

BMRB: 5885

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. DIMER OF FUSED DOCKING DOMAINS OF DEBS2 AND DEBS3, : 1 entities Detail

Experiments performed 13 experiments Detail

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