1L8C

STRUCTURAL BASIS FOR HIF-1ALPHA/CBP RECOGNITION IN THE CELLULAR HYPOXIC RESPONSE

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D HSQC	1MM 13C, 15N-TAZ1, 2MM HIF-1a		2.0 Millimolar	6.1	Ambient	298
2	2D HSQC	1MM 13C, 15N-TAZ1, 2MM HIF-1a
3	3D HNCACB	1MM 13C, 15N-TAZ1, 2MM HIF-1a
4	3D CBCA(CO)NH	1MM 13C, 15N-TAZ1, 2MM HIF-1a
5	3D HNCA	1MM 13C, 15N-TAZ1, 2MM HIF-1a
6	3D HNCO	1MM 13C, 15N-TAZ1, 2MM HIF-1a
7	3D C(CO)NH-TOCSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
8	3D H(CCO)NH-TOCSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
9	3D CCH-TOCSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
10	3D CCH-COSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
11	3D HCCH-TOCSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
12	3D 15N TOCSY-HSQC	1MM 13C, 15N-TAZ1, 2MM HIF-1a
13	2D CBCGCD	1MM 13C, 15N-TAZ1, 2MM HIF-1a
14	2D CBCGCE	1MM 13C, 15N-TAZ1, 2MM HIF-1a
15	3D HNHA	1MM 13C, 15N-TAZ1, 2MM HIF-1a
16	3D HNHB	1MM 13C, 15N-TAZ1, 2MM HIF-1a
17	3D HACAHB-COSY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
18	3D 15N NOESY-HSQC	1MM 13C, 15N-TAZ1, 2MM HIF-1a
19	3D 13C HSQC-NOESY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
20	3D 13C,15N simult. NOESY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
21	3D 13C HMQC-NOESY	1MM 13C, 15N-TAZ1, 2MM HIF-1a
22	3D 12C-FILTERED/13C-EDITED NOESY	1MM 13C, 15N-TAZ1, 2MM HIF-1a

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX800	800
2	Bruker	DRX600	600

NMR Refinement
Method	Details	Software
	PEARLMAN, D.A. ET AL. (1995) COMP. PHYS.COMMU.	Amber

NMR Ensemble Information
Conformer Selection Criteria	structures with the least restraint violations, structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	20
Representative Model	1 (n/a)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	Amber	version 6	PEARLMAN, D.A. ET AL.
2	structure solution	XwinNMR
3	structure solution	NMRPipe
4	structure soulution	NMRView

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.