3PN9

crystal structure of a proline dipeptidase from streptococcus pneumoniae tigr4

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 2
  • Norm. En. per Res.: -3.9268
• Hub Node: A(3)

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	-12.2586	-7.3584	-153.563	-173.18	55	9	0	5296	2	3	9
A-C	-19.5975	13.3964	-68.5372	-74.7383	36	2	0	2668	4	20	25
A-D	-5.2555	0.0	-2.5982	-7.8537	2	0	0	76	1	3	3
B-D	-19.7899	15.4831	-66.7798	-71.0866	36	3	0	2735	4	21	24

Interface residues

• A-B: ALA0A, ALA48A, ALA64B, ARG132B, ARG63B, ASN-1A, ASN28B, ASP49A, GLN50A, GLN5A, GLN6A, GLU12A, GLU51A, GLU60B, GLU62B, GLY32B, ILE128B, ILE27B, ILE7A, LEU11A, LEU30B, LEU47A, LEU4A, LEU4B, LEU54B, LEU8A, LYS135B, LYS3A, LYS3B, PHE33B, PHE70A, PHE70B, PRO24B, PRO52A, PRO71A, SER-2A, SER13A, SER2A, SER2B, SER35B, SER65B, SER66B, SER69A, SER69B, THR26B, THR31B, THR67B, THR9A, TYR10A, TYR29B, TYR34B, VAL25B, VAL46A, VAL68A, VAL68B
• A-C: ALA58C, ALA98A, ARG127A, ARG130A, ARG40C, ARG63C, ARG96A, ASN123A, ASP122A, ASP36C, ASP77C, GLN129A, GLU120A, GLU14A, GLU39C, GLU60C, GLU62C, GLU79C, HIS38C, LEU124A, LEU16A, LEU59C, LYS15A, PHE101A, PHE121A, PRO126A, PRO37C, PRO57C, SER13A, SER78C, THR125A, TYR109A, TYR10A, TYR75C, VAL76C, VAL99A
• A-D: GLU12A, LYS15D
• B-D: ALA58B, ALA98D, ARG127D, ARG130D, ARG40B, ARG63B, ARG96D, ASN123D, ASP122D, ASP36B, ASP77B, GLN129D, GLU120D, GLU14D, GLU39B, GLU60B, GLU62B, GLU79B, HIS38B, LEU124D, LEU16D, LEU59B, LYS15D, PHE101D, PHE121D, PRO126D, PRO37B, PRO57B, SER13D, SER78B, THR125D, TYR109D, TYR10D, TYR75B, VAL76B, VAL99D