1XP4

crystal structure of a peptidoglycan synthesis regulatory factor (pbp3) from streptococcus pneumoniae

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 22
  • Norm. En. per Res.: -2.5686
• 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	-14.2214	0.0	-42.2871	-56.5085	22	6	0	1623	0	5	8
A-C	-14.7466	4.989	-48.8145	-58.5721	46	8	0	2608	0	22	25
A-D	-14.0408	6.5078	-165.358	-172.891	99	14	1	7446	0	26	30

Interface residues

• A-B: ALA277A, ALA28A, ALA69B, ASN273A, ASN274A, ASN72B, ASP269A, ASP272A, GLN271A, GLU71B, GLY73B, HIS270A, ILE75B, LEU70B, LYS130B, LYS30A, PRO80B, SER74B, SER78B, THR76B, THR79B, VAL108B
• A-C: ALA214C, ALA324C, ALA353A, ALA357A, ALA357C, ALA388C, ASP303C, ASP307A, ASP314A, ASP327C, ASP389A, ASP389C, GLN300C, GLN301C, GLU204A, GLU317A, GLU326C, GLU356A, GLU356C, GLU393A, GLY215C, GLY302C, GLY315A, GLY358C, ILE321A, ILE392A, LEU355A, LEU77A, LYS207A, LYS297C, LYS316A, LYS390A, LYS391A, LYS391C, PRO325C, PRO354A, SER78A, SER78C, THR212C, THR319A, THR76A, TYR329C, VAL312A, VAL320A, VAL323C, VAL387C
• A-D: ALA144D, ALA154A, ALA154D, ALA350A, ALA48A, ALA48D, ARG143D, ARG381A, ARG381D, ASP140D, ASP153A, ASP153D, ASP187A, ASP187D, ASP347A, ASP347D, ASP368A, ASP368D, ASP370A, ASP370D, ASP47A, ASP47D, GLN152A, GLN152D, GLN340A, GLN343A, GLN343D, GLN374A, GLN374D, GLN50A, GLN50D, GLU148D, GLU367A, GLU367D, GLU380A, GLU380D, GLU45A, GLU45D, GLY150A, GLY150D, GLY362A, GLY373A, GLY373D, GLY375A, GLY375D, HIS363A, HIS363D, ILE151A, ILE151D, ILE33A, ILE33D, ILE372A, ILE372D, ILE42A, ILE42D, LEU147A, LEU147D, LEU364D, LEU371A, LEU371D, LYS145D, LYS176D, LYS182D, LYS309A, LYS349A, LYS369A, LYS369D, LYS46A, LYS46D, PHE344A, PHE344D, PRO311A, PRO346A, PRO346D, PRO51A, PRO51D, SER184A, SER184D, SER341A, SER341D, SER348A, SER383D, THR345A, THR345D, THR365A, THR365D, THR378A, THR378D, THR379A, THR379D, THR49A, THR49D, TYR186A, TYR186D, TYR366A, TYR366D, TYR376A, TYR376D, VAL342A