2R2D

structure of a quorum-quenching lactonase (aiib) from agrobacterium tumefaciens

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 109
  • Norm. En. per Res.: -3.1804
• 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	-16.2424	-2.2986	-46.5212	-65.0622	32	4	0	1637	0	4	7
A-C	0.0	0.0	-25.7004	-25.7004	26	0	1	1327	0	2	1
A-D	0.0	0.0	-0.0067	-0.0067	2	0	0	6	0	0	1
A-E	0.0	0.0	-1.4264	-1.4264	17	0	0	232	0	5	7
B-C	-56.1255	6.1908	-296.732	-346.6667	109	8	3	11561	0	16	19
B-F	0.0	0.0	-29.5224	-29.5224	27	4	2	1807	0	2	2
C-D	0.0	-3.1589	-0.8603	-4.0192	7	0	0	147	0	4	1
C-F	-5.7111	-12.3381	-11.5164	-29.5657	17	0	0	518	1	5	3

Interface residues

• A-B: ARG37B, ASP272A, GLN30B, GLN96A, GLU262B, GLU276A, GLU87A, GLU92A, GLY273A, GLY98A, ILE268A, LEU5A, LEU97A, LYS204A, LYS269A, LYS31B, LYS4A, PHE26B, PHE274A, PHE6A, PRO29B, PRO32B, SER24B, SER270A, SER35B, SER86A, THR25B, THR271A, THR28B, THR33B, TYR275A, VAL34B
• A-C: ALA74C, ASN69C, ASN79C, ASP272A, GLN205A, GLN75C, GLN77C, GLU276A, GLY273A, GLY67C, ILE268A, LEU267A, LEU78C, LYS204A, LYS269A, MET66C, PHE274A, PRO206A, PRO73C, PRO81C, SER266A, SER270A, SER76C, THR271A, THR68C, TYR275A
• A-D: GLY98D, MET1A
• A-E: ALA85E, ARG95E, ASN165A, ASN69E, ASN89E, ASP102A, ASP103A, GLN96E, GLU64E, GLU87E, GLU92E, GLY124A, LYS125A, PRO163A, PRO63E, SER86E, THR162A
• B-C: ALA192B, ALA192C, ALA22B, ALA22C, ALA74B, ALA80B, ALA80C, ARG14B, ARG14C, ARG227B, ARG227C, ARG239B, ARG239C, ARG37B, ARG37C, ASN18B, ASN18C, ASN23B, ASN23C, ASN79B, ASN79C, ASP16B, ASP16C, ASP233B, ASP233C, ASP238B, ASP238C, ASP40B, ASP40C, GLN30B, GLN30C, GLN75B, GLN75C, GLN77B, GLN77C, GLU17B, GLU17C, GLY190B, GLY190C, GLY229B, GLY229C, GLY236B, GLY236C, HIS191B, HIS191C, HIS232B, HIS232C, ILE13C, ILE20B, ILE20C, ILE235B, ILE235C, ILE39B, ILE39C, ILE83B, ILE83C, LEU231B, LEU231C, LEU38B, LEU38C, LEU78B, LEU78C, LYS31B, LYS31C, MET66B, MET66C, PHE19B, PHE19C, PHE26B, PHE26C, PRO224C, PRO29B, PRO29C, PRO32B, PRO32C, PRO81B, PRO81C, SER148B, SER193B, SER193C, SER24C, SER35B, SER35C, SER36B, SER36C, SER76B, SER76C, THR189B, THR189C, THR234B, THR234C, THR25B, THR25C, THR28B, THR28C, THR33B, THR33C, TYR237B, TYR237C, TYR82B, TYR82C, VAL15B, VAL15C, VAL230B, VAL230C, VAL27B, VAL27C, VAL34B, VAL34C
• B-F: ALA265F, ALA74B, ASN69B, ASN79B, ASP272F, GLN205F, GLN75B, GLN77B, GLU203F, GLU276F, GLY273F, GLY67B, HIS147B, ILE268F, LEU202F, LEU267F, LEU78B, LYS204F, LYS269F, PHE274F, PRO206F, PRO73B, SER266F, SER76B, THR271F, THR68B, TYR275F
• C-D: ALA85C, GLN96C, GLU87C, LYS125D, PRO163D, SER86C, THR271C
• C-F: ARG261F, ARG37F, ARG93F, ASP272F, GLN30C, GLN96F, GLY222C, GLY273F, ILE268F, LYS269F, LYS31C, PHE274F, PRO223C, PRO224C, SER270F, THR271F, THR28C