2MBZ

Structural Basis of a Thiopeptide Antibiotic Multidrug Resistance System from Streptomyces lividans:Promothiocin A in Complex with TipAS

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	DRX	Bruker DRX	600
2	Bruker	DRX	Bruker DRX	800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	3	3	HAHB
11	2	2	CBCANH
12	2	2	13C'-{13C } spin-echo difference 1H-15N HSQC
13	2	2	15N-{13C } spin-echo difference 1H-15N HSQC
14	2	2	13C'-{13C } spin-echo difference 1H-13C HSQC
15	2	2	15N-{13C } spin-echo difference 1H-13C HSQC
16	1	1	3D 1H-15N ROESY
17	1	1	3D 1H-15N NOESY
18	3	3	3D 1H-13C NOESY
19	3	3	4D 13C-13C-NOESY-HMQC
2	3	3	2D 1H-13C HSQC aliphatic
20	3	3	2D NOESY filtered against 1H bound to 13C or 15N
21	2	2	2D NOESY filtered against 1H bound to 13C or 15N
22	3	3	2D HOHAHA filtered against 1H bound to 13C or 15N
23	2	2	Doublet-separated sensitivity-enhanced 1H-15N HSQC
24	4	4	Doublet-separated sensitivity-enhanced 1H-15N HSQC
25	2	2	J-resolved constant-time 13C-HSQC
26	4	4	J-resolved constant-time 13C-HSQC
27	3	3	3D 1H-13C NOESY aromatic
3	2	2	3D HNCO
4	2	2	3D CBCA(CO)NH
5	2	2	3D C(CO)NH TOCSY
6	2	2	3D HBHA(CO)NH
7	2	2	3D H(CCO)NH TOCSY
8	3	3	3D HCCH-TOCSY aliphatic
9	2	2	3D HNHA

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	5.9	ambient	298
2	5.9	ambient	298
3	5.9	ambient	298
4	5.9	ambient	298

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	10