3D3S

crystal structure of l-2,4-diaminobutyric acid acetyltransferase from bordetella parapertussis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 118
  • Norm. En. per Res.: -3.2945
• 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	-39.8606	-18.5497	-330.341	-388.7513	118	13	7	13031	1	29	28
A-C	0.0	3.5747	-15.613	-12.0383	40	0	1	1241	0	8	9
A-D	-10.8294	6.8562	-52.1155	-56.0887	32	1	0	2341	0	11	9
B-C	-25.6221	7.5211	-70.3582	-88.4592	36	2	0	2881	0	15	10
C-D	-24.5147	5.4165	-242.199	-261.2972	98	12	1	10028	0	24	20

Interface residues

• A-B: ALA13A, ALA13B, ALA142A, ALA142B, ALA146A, ALA14B, ALA32A, ALA32B, ALA41A, ALA41B, ALA60A, ALA60B, ARG140A, ARG140B, ARG155B, ARG66A, ARG66B, ARG8A, ARG9A, ARG9B, ASN10A, ASN10B, ASN114B, ASN28A, ASN28B, ASP113B, ASP11B, ASP139A, ASP139B, ASP147A, ASP149A, ASP150A, ASP26A, ASP26B, CYS37A, CYS37B, GLN135B, GLN141A, GLN141B, GLN74A, GLN74B, GLU107A, GLU107B, GLU151A, GLU151B, GLU38A, GLU38B, GLU99A, GLU99B, GLY111B, GLY12A, GLY12B, GLY144A, GLY145A, HIS148A, HIS16B, HIS39A, HIS39B, HIS40A, HIS40B, HIS42A, HIS42B, LEU153A, LEU153B, LEU25A, LEU25B, LEU27A, LEU27B, LEU30A, LEU30B, LEU34A, LEU34B, LEU35A, LEU35B, LEU36A, LEU36B, LEU62A, LEU62B, LEU63A, LEU63B, PHE137A, PHE137B, PHE138A, PHE138B, PHE143A, PHE143B, PHE71A, PHE71B, PRO112B, PRO136A, PRO136B, PRO64A, PRO64B, SER29A, SER29B, SER59A, THR108A, THR108B, THR109A, THR109B, THR43A, THR43B, THR65A, THR65B, TRP73A, TRP73B, TYR31A, TYR31B, TYR33A, TYR33B, TYR61A, TYR61B, VAL110A, VAL110B, VAL69A, VAL69B, VAL72A, VAL72B
• A-C: ALA116C, ALA146A, ARG119C, ARG82C, ASN114C, ASN28A, ASN28C, ASP113C, ASP147A, ASP149A, ASP26A, ASP26C, CYS22A, CYS22C, GLN115C, GLN17A, GLN17C, GLU21A, GLU21C, GLY111C, HIS148A, HIS16A, HIS16C, LEU25A, LEU25C, LEU27A, LEU27C, LEU30A, LEU30C, PRO112C, PRO23A, PRO23C, PRO24A, PRO24C, SER20A, SER20C, SER29A, SER29C, VAL19A, VAL19C
• A-D: ALA81A, ARG53A, ARG80A, ARG82A, ASN28D, ASP26D, ASP55A, CYS22A, CYS22D, GLN17A, GLN17D, GLU21A, GLU21D, HIS16D, HIS78A, HIS78D, LEU18A, LEU18D, LEU25D, LEU27D, LEU30D, PRO23A, PRO23D, PRO24D, SER20A, SER20D, SER29D, SER49A, SER79A, TYR2A, TYR31D, VAL19D
• B-C: ALA81C, ARG1C, ARG53C, ARG80C, ARG82C, ASN28B, ASP113B, ASP26B, ASP55C, CYS22B, CYS22C, GLN17B, GLN17C, GLU21B, GLU21C, HIS16B, HIS78B, HIS78C, LEU18B, LEU18C, LEU25B, LEU27B, LEU30B, PRO112B, PRO23B, PRO23C, PRO24B, SER20B, SER20C, SER29B, SER49C, SER79B, SER79C, TYR2C, TYR31B, VAL19B
• C-D: ALA13D, ALA32C, ALA32D, ALA41C, ALA41D, ALA60C, ALA60D, ARG66C, ARG66D, ARG8D, ARG9C, ARG9D, ASN10C, ASN10D, ASN114C, ASN28C, ASN28D, ASP113C, ASP11D, ASP26C, ASP26D, CYS37C, CYS37D, GLN135C, GLN135D, GLN74C, GLN74D, GLU107C, GLU107D, GLU151C, GLU151D, GLU38C, GLU38D, GLU99C, GLU99D, GLY111C, GLY12C, GLY12D, HIS39C, HIS39D, HIS40C, HIS40D, HIS42C, HIS42D, LEU153C, LEU153D, LEU154C, LEU25C, LEU25D, LEU27C, LEU27D, LEU30C, LEU30D, LEU34C, LEU34D, LEU35C, LEU35D, LEU36C, LEU36D, LEU62C, LEU62D, LEU63C, LEU63D, PHE137C, PHE137D, PHE138C, PHE71C, PHE71D, PRO136C, PRO136D, PRO64C, PRO64D, SER29C, SER29D, SER59C, SER59D, THR108C, THR108D, THR109C, THR109D, THR43C, THR43D, THR65C, THR65D, TRP73C, TRP73D, TYR31C, TYR31D, TYR33C, TYR33D, TYR61C, TYR61D, VAL110C, VAL110D, VAL69C, VAL69D, VAL72C, VAL72D