3TAK

crystal structure of the complex of dhdps from acinetobacter baumannii with pyruvate at 1.4 a resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -2.8069
• 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	-25.9378	42.0569	-420.31	-404.1908	144	8	6	17129	0	28	29

Interface residues

• A-B: ALA121A, ALA121B, ALA274A, ALA274B, ALA48A, ALA48B, ALA79A, ALA79B, ALA85A, ALA85B, ARG138A, ARG138B, ARG267A, ARG267B, ARG83A, ARG83B, ASN108A, ASN108B, ASN134A, ASN134B, ASN248A, ASN248B, ASN80A, ASN80B, CYS245A, CYS245B, GLN112A, GLN112B, GLN117A, GLN117B, GLN276B, GLU113A, GLU113B, GLU246A, GLU246B, GLU47A, GLU47B, GLU54A, GLU54B, GLU55A, GLU55B, GLU84A, GLU84B, GLY114A, GLY114B, GLY137A, GLY137B, GLY140A, GLY140B, GLY17A, GLY43A, GLY43B, GLY78A, GLY78B, HIS118A, HIS118B, HIS56A, HIS56B, ILE122A, ILE122B, ILE250A, ILE250B, ILE86A, ILE86B, LEU101A, LEU101B, LEU102A, LEU115A, LEU115B, LEU268A, LEU268B, LEU270A, LEU270B, LEU273A, LEU273B, LEU51A, LEU51B, LYS109A, LYS109B, LYS120A, LYS120B, LYS161A, LYS161B, MET13A, MET53A, MET53B, PHE244A, PHE244B, PRO105A, PRO105B, PRO110A, PRO110B, PRO136A, PRO136B, PRO249A, PRO249B, PRO251A, PRO251B, PRO269A, PRO269B, PRO272A, PRO272B, SER247A, SER247B, SER49A, SER49B, SER52A, SER52B, SER81A, SER81B, THR104A, THR104B, THR111A, THR111B, THR139A, THR139B, THR271A, THR271B, THR44A, THR44B, THR45A, THR45B, THR50A, THR50B, THR82A, THR82B, TYR106A, TYR106B, TYR107A, TYR107B, TYR116A, TYR116B, TYR119A, TYR119B, TYR133A, TYR133B, TYR277A, TYR277B, VAL103A, VAL103B, VAL135A, VAL135B, VAL141A, VAL141B