3GN8

x-ray crystal structure of ancgr2 in complex with dexamethasone

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 48
  • Norm. En. per Res.: -4.5715
• Hub Node: A(2)

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	-20.8084	-14.49	-98.9762	-134.2746	55	2	1	3675	2	7	3
A-C	-29.0427	-17.7671	-123.041	-169.8508	46	12	6	5801	0	11	9
B-E	-40.3387	-31.4099	-147.684	-219.4326	48	8	6	6230	0	12	12

Interface residues

• A-B: ALA235B, ASN211A, ASN211B, ASP110A, ASP110B, CYS205B, GLN104A, GLN111A, GLN111B, GLN113A, GLN114A, GLN114B, GLN203A, GLN203B, GLU100A, GLU101A, GLU196B, GLY200A, GLY200B, GLY236B, LEU105A, LEU201B, LEU202B, LEU214A, LEU214B, LEU230B, LYS146B, LYS212B, LYS232B, LYS234A, LYS234B, LYS246B, MET103A, MET108A, PHE204A, PHE204B, PHE206B, PHE209B, PHE233B, PRO106A, PRO231B, PRO240B, SER213A, SER213B, SER237B, SER25A, THR208B, TYR107A, TYR107B, TYR109A, TYR207A, TYR207B, VAL210A, VAL210B, VAL238B
• A-C: ALA223A, ALA43A, ALA47A, ALA743C, ARG54A, ARG746C, ASN228A, ASN742C, ASP59A, ASP60A, ASP750C, ASP752C, GLN229A, GLN61A, GLN66A, GLU220A, GLU224A, GLY37A, HIS57A, ILE225A, LEU140A, LEU222A, LEU58A, LEU64A, LEU65A, LEU744C, LEU745C, LEU748C, LEU749C, LYS232A, LYS45A, LYS48A, LYS751C, MET221A, MET62A, PHE53A, PRO219A, SER227A, SER42A, THR63A, TRP69A, TYR67A, TYR747C, VAL40A, VAL41A, VAL44A
• B-E: ALA223B, ALA43B, ALA47B, ALA743E, ARG38B, ARG54B, ARG746E, ASN228B, ASN742E, ASP59B, ASP60B, ASP750E, ASP752E, GLN229B, GLN61B, GLN66B, GLU220B, GLU224B, GLU741E, GLY37B, HIS57B, ILE225B, LEU140B, LEU222B, LEU58B, LEU64B, LEU65B, LEU744E, LEU745E, LEU748E, LEU749E, LYS232B, LYS45B, LYS48B, LYS751E, MET221B, MET62B, PHE53B, PRO219B, SER227B, SER42B, THR63B, TRP69B, TYR67B, TYR747E, VAL40B, VAL41B, VAL44B