3DL9

crystal structure of cyp2r1 in complex with 1-alpha-hydroxy- vitamin d2

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 72
  • Norm. En. per Res.: -3.1487
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-30.9009	-94.3425	-101.466	-226.7095	72	11	5	4961	10	26	29

Interface residues

• A-B: ALA250A, ALA250B, ALA251A, ALA251B, ARG248A, ARG248B, ARG259A, ARG259B, ASN249A, ASN249B, ASP204A, ASP204B, ASP206A, ASP206B, ASP255A, ASP255B, GLN208A, GLN208B, GLN244A, GLN244B, GLU203A, GLU203B, GLU212A, GLU212B, GLU262A, GLU298A, GLY236A, GLY236B, HIS209A, HIS209B, ILE235A, ILE235B, ILE237A, ILE237B, LEU213A, LEU213B, LEU238A, LEU238B, LEU260A, LYS117A, LYS117B, LYS120B, LYS263A, LYS263B, MET210A, MET210B, PHE207A, PHE207B, PHE240A, PHE247A, PHE247B, PHE256A, PHE256B, PRO233A, PRO233B, PRO239A, PRO239B, SER258A, SER258B, THR205A, THR205B, TRP234A, TRP234B, TYR229A, TYR229B, TYR254A, TYR254B, VAL252A, VAL252B, VAL253A, VAL253B, VAL266A