2OOG

crystal structure of glycerophosphoryl diester phosphodiesterase from staphylococcus aureus

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 39
  • Norm. En. per Res.: -2.3814
• Hub Node: A(4)

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	-3.4189	17.1655	-118.151	-104.4044	63	6	0	5322	0	50	60
A-C	-24.8454	-3.2088	-107.375	-135.4292	63	2	0	4671	0	23	26
A-E	0.0	0.0337	-18.7706	-18.7369	32	4	0	1291	0	26	25
A-F	-11.9338	-21.9367	-59.0042	-92.8747	39	1	1	2385	0	20	24
C-D	-5.6896	19.3121	-109.681	-96.0584	62	4	0	4990	0	49	62
C-E	0.0	0.0	-0.2192	-0.2192	4	0	0	48	0	0	0
D-F	0.0	0.0	-0.1122	-0.1122	6	0	0	37	0	0	1
E-F	-8.9577	18.3303	-110.836	-101.4634	61	4	0	4757	0	45	54

Interface residues

• A-B: ALA185A, ALA185B, ARG218A, ARG218B, ARG92A, ARG92B, ASN220A, ASN220B, ASP174A, ASP174B, ASP95A, ASP95B, GLN182A, GLN182B, GLN219A, GLN219B, GLU117A, GLU117B, GLU180A, GLU180B, GLU181A, GLU181B, GLU211A, GLU211B, GLY178A, GLY178B, GLY96A, GLY96B, HIS97A, HIS97B, LEU183A, LEU183B, LEU184A, LEU184B, LEU193A, LEU193B, LEU98A, LEU98B, LYS188A, LYS188B, LYS189A, LYS189B, LYS215A, LYS215B, LYS94A, LYS94B, MET179A, MET179B, PRO173A, PRO173B, PRO177A, PRO177B, SER172A, SER186A, SER186B, THR120A, THR120B, THR93A, THR93B, TYR176A, TYR176B, VAL175A, VAL175B
• A-C: ARG53A, ARG53C, ASN163A, ASN163C, ASN194A, ASN194C, ASN195A, ASN195C, ASN196A, ASN196C, ASN200A, ASN200C, ASN48A, ASN48C, ASN51A, ASN51C, ASP294A, GLN44A, GLN44C, GLU306A, GLU306C, GLU310A, GLU310C, GLU52A, GLU52C, GLY201A, GLY292C, HIS202A, HIS202C, HIS265A, HIS265C, HIS46A, HIS46C, ILE308A, ILE308C, LEU198A, LEU49A, LEU49C, LYS197A, LYS197C, LYS199A, LYS199C, LYS305A, LYS305C, LYS309A, LYS309C, PHE54A, PHE54C, SER84A, SER84C, THR47A, THR47C, THR50A, THR50C, THR55A, THR55C, THR56A, THR56C, TRP45A, TRP45C, TYR304A, TYR304C, VAL307A
• A-E: ALA283A, ARG218E, ARG246E, ARG287A, ASN263A, ASP239E, ASP258A, ASP284A, GLN235A, GLN240E, GLN262A, GLU244E, GLU261A, GLU281A, GLU310A, HIS217E, ILE245E, LEU259A, LEU286A, LEU288A, LYS214E, LYS221E, LYS243E, LYS282A, LYS290A, SER247E, THR257A, THR260A, THR264A, TYR248E, TYR256A, TYR291A
• A-F: ALA141A, ALA143A, ALA148F, ARG142A, ARG159F, ASN134A, ASN147F, ASN79F, ASP154F, ASP302A, ASP75F, GLN72F, GLU155F, GLU158F, GLU306A, GLU310A, HIS190F, HIS191F, ILE156F, LYS125F, LYS135A, LYS139A, LYS146A, LYS149F, LYS189F, LYS282A, LYS303A, PHE133A, PHE300A, PHE71F, PRO138A, PRO151F, SER144F, THR152F, TYR137A, TYR140A, TYR145A, TYR160F, TYR65A
• C-D: ALA185C, ALA185D, ARG218C, ARG218D, ARG92C, ARG92D, ASN220C, ASN220D, ASP174C, ASP174D, ASP95C, ASP95D, GLN182C, GLN182D, GLN219C, GLN219D, GLU117C, GLU117D, GLU180C, GLU180D, GLU181C, GLU181D, GLU211C, GLY178C, GLY178D, GLY96C, GLY96D, HIS97C, HIS97D, LEU183C, LEU183D, LEU184C, LEU184D, LEU193C, LEU193D, LEU98C, LEU98D, LYS188C, LYS188D, LYS189C, LYS189D, LYS215C, LYS215D, LYS221C, LYS94C, LYS94D, MET179C, MET179D, PRO173C, PRO173D, PRO177C, PRO177D, SER186C, SER186D, THR120C, THR120D, THR93C, THR93D, TYR176C, TYR176D, VAL175C, VAL175D
• C-E: LYS199C, LYS199E, LYS221C, LYS221E
• D-F: ASN195D, ASN196D, LYS199D, LYS199F, LYS221D, LYS221F
• E-F: ALA185E, ALA185F, ARG218E, ARG218F, ARG92E, ARG92F, ASN220E, ASN220F, ASP174E, ASP174F, ASP95E, ASP95F, GLN182E, GLN182F, GLN219E, GLN219F, GLU117E, GLU117F, GLU180E, GLU180F, GLU181E, GLU181F, GLY178E, GLY178F, GLY96E, GLY96F, HIS97E, HIS97F, LEU183E, LEU183F, LEU184E, LEU184F, LEU193E, LEU98E, LEU98F, LYS188E, LYS188F, LYS189E, LYS189F, LYS215E, LYS215F, LYS221E, LYS221F, LYS94E, LYS94F, MET179E, MET179F, PRO173E, PRO173F, PRO177E, PRO177F, SER186E, SER186F, THR120E, THR120F, THR93E, THR93F, TYR176E, TYR176F, VAL175E, VAL175F