3PQJ

crystal structure of the transcriptional repressor bigr from xylella fastidiosa

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -4.7395
• Hub Node: A(2)

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	-39.7116	-64.9285	-468.842	-573.4821	121	20	18	18886	4	13	19
A-D	-11.5643	0.0	-12.1979	-23.7622	19	0	0	503	0	2	0
B-D	0.0	-5.6915	-13.0171	-18.7086	17	0	0	601	0	8	8
C-D	-43.6761	-59.3249	-462.022	-565.023	120	21	18	18784	4	13	18

Interface residues

• A-B: ALA102A, ALA102B, ALA109A, ALA109B, ALA22A, ALA22B, ALA26A, ALA26B, ALA94A, ALA94B, ALA96A, ALA96B, ALA97A, ALA97B, ARG15A, ARG15B, ARG21A, ARG21B, ARG37A, ARG37B, ASN101A, ASN101B, ASN23A, ASN23B, ASN27A, ASN27B, ASP17A, ASP17B, CYS108A, CYS108B, CYS42A, CYS42B, GLN110A, GLN56A, GLN56B, GLN57A, GLN57B, GLN98A, GLN98B, GLU16A, GLU16B, GLU19A, GLU19B, GLU24A, GLU24B, GLU46A, GLU46B, GLU53A, GLU53B, GLU93A, GLU93B, GLY47B, GLY59A, GLY59B, HIS34A, HIS34B, ILE106A, ILE106B, ILE58A, ILE58B, ILE60A, ILE60B, ILE77A, LEU103A, LEU103B, LEU28A, LEU28B, LEU29A, LEU29B, LEU32A, LEU32B, LEU38A, LEU38B, LEU40A, LEU40B, LEU44A, LEU44B, LEU54A, LEU54B, LEU99A, LEU99B, LYS20A, LYS20B, LYS30A, LYS30B, LYS95A, LYS95B, MET13A, MET13B, MET18A, MET18B, MET39A, MET39B, PHE107A, PHE107B, PHE49A, PHE49B, PRO35A, PRO35B, SER33A, SER33B, THR105A, THR105B, THR14A, THR14B, THR31A, THR31B, THR43A, THR43B, TYR104A, TYR104B, VAL100A, VAL100B, VAL25A, VAL25B, VAL36A, VAL36B, VAL41A, VAL41B, VAL45A, VAL45B
• A-D: ARG73D, ARG82D, GLN110A, GLN56A, GLN57A, GLN67D, GLU53A, GLU55A, GLY52A, GLY59A, ILE58A, ILE60A, ILE87D, LEU69D, LYS30D, MET39A, PRO35A, VAL36A, VAL51D
• B-D: ALA22B, ARG21B, ARG37D, ARG73D, ASN23B, ASP17B, GLN67D, GLN68D, GLU16B, GLU19B, GLU74D, GLY70D, HIS34D, LYS20B, LYS30D, MET18B, VAL71D
• C-D: ALA102C, ALA102D, ALA109C, ALA22C, ALA22D, ALA26C, ALA26D, ALA94C, ALA94D, ALA96C, ALA96D, ALA97C, ALA97D, ARG15C, ARG15D, ARG21C, ARG21D, ARG37C, ARG37D, ASN101C, ASN101D, ASN23C, ASN23D, ASN27C, ASN27D, ASP17C, ASP17D, CYS108C, CYS108D, CYS42C, CYS42D, GLN110C, GLN56C, GLN56D, GLN57C, GLN57D, GLN98C, GLN98D, GLU16C, GLU16D, GLU19C, GLU19D, GLU24C, GLU24D, GLU46C, GLU46D, GLU53C, GLU53D, GLU93C, GLU93D, GLY47D, GLY59C, GLY59D, HIS34C, HIS34D, ILE106C, ILE106D, ILE58C, ILE58D, ILE60C, ILE60D, ILE77C, LEU103C, LEU103D, LEU28C, LEU28D, LEU29C, LEU29D, LEU32C, LEU32D, LEU38C, LEU38D, LEU40C, LEU40D, LEU44C, LEU44D, LEU54C, LEU54D, LEU99C, LEU99D, LYS20C, LYS20D, LYS30C, LYS30D, LYS95C, LYS95D, MET13C, MET13D, MET18C, MET18D, MET39C, MET39D, PHE107C, PHE107D, PHE49C, PHE49D, PRO35C, PRO35D, SER33C, SER33D, THR105C, THR105D, THR14C, THR14D, THR31C, THR31D, THR43C, THR43D, TYR104C, TYR104D, VAL100C, VAL100D, VAL25C, VAL25D, VAL36C, VAL36D, VAL41C, VAL41D, VAL45C, VAL45D