3NRV

crystal structure of marr/emrr family transcriptional regulator from acinetobacter sp. adp1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 192
  • Norm. En. per Res.: -6.1677
• 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-C	-201.4633	-207.7777	-774.956	-1184.1969	192	31	33	34279	15	101	76
A-D	-36.8237	-47.4712	-190.15	-274.4449	70	13	4	7289	4	46	33
B-C	0.0	0.0	-0.0006	-0.0006	2	0	0	1	0	3	2
B-D	-186.8927	-193.5913	-773.51	-1153.9939	191	27	33	33905	15	99	74
C-D	0.0	0.0	-16.2421	-16.2421	13	0	1	847	0	2	4

Interface residues

• A-C: ALA108A, ALA108C, ALA10A, ALA10C, ALA112A, ALA112C, ALA126A, ALA126C, ALA12A, ALA12C, ALA18A, ALA18C, ALA28C, ALA49A, ALA49C, ALA66C, ALA67A, ALA67C, ARG115A, ARG115C, ARG139A, ARG139C, ARG41A, ARG41C, ARG70C, ARG8A, ARG8C, ASN140A, ASN140C, ASN15A, ASN15C, ASN19A, ASN19C, ASN5A, ASN5C, ASP110A, ASP110C, ASP129A, ASP129C, ASP143A, ASP143C, ASP51A, ASP59A, ASP59C, ASP64A, ASP64C, ASP7A, ASP7C, CYS52A, GLN102A, GLN102C, GLN118A, GLN118C, GLN130A, GLN130C, GLN13A, GLN13C, GLN144A, GLN144C, GLN2A, GLN31C, GLN55A, GLN55C, GLU103A, GLU103C, GLU106A, GLU106C, GLU114A, GLU114C, GLU116A, GLU116C, GLU121A, GLU121C, GLU122A, GLU122C, GLU124A, GLU124C, GLU125A, GLU125C, GLU127A, GLU127C, GLU39C, GLY36C, GLY62A, GLY62C, HIS9A, HIS9C, ILE113A, ILE113C, ILE133A, ILE133C, ILE14A, ILE14C, ILE35C, ILE42A, ILE42C, ILE43A, ILE43C, ILE4A, ILE4C, ILE57A, ILE57C, ILE60A, ILE60C, ILE6A, ILE6C, LEU104A, LEU104C, LEU119A, LEU119C, LEU120A, LEU120C, LEU131A, LEU131C, LEU134A, LEU134C, LEU135A, LEU135C, LEU138A, LEU138C, LEU17A, LEU17C, LEU21A, LEU21C, LEU23A, LEU23C, LEU46A, LEU46C, LEU61A, LEU61C, LEU63A, LEU63C, LEU97C, LYS117A, LYS117C, LYS128A, LYS128C, LYS136A, LYS136C, LYS137A, LYS137C, LYS141A, LYS141C, LYS20A, LYS20C, LYS24A, LYS24C, LYS3A, LYS56A, LYS56C, LYS65A, LYS65C, LYS74C, LYS78C, PHE111A, PHE111C, PHE123A, PHE123C, PHE132A, PHE132C, SER109A, SER109C, SER25C, SER26C, SER44A, SER44C, SER47A, SER47C, SER48A, SER48C, SER50A, SER53A, SER58A, SER58C, THR11A, THR11C, THR27C, THR30C, THR38C, THR71C, TRP40A, TRP40C, TYR105A, TYR105C, TYR29C, VAL107A, VAL107C, VAL142A, VAL142C, VAL45A, VAL45C, VAL68C
• A-D: ALA108A, ALA112A, ALA66D, ALA67D, ALA94D, ARG115A, ARG70D, ARG91D, ASN84D, ASP110A, ASP51D, ASP89D, CYS52D, GLN102A, GLN31A, GLN55D, GLU103A, GLU106A, GLU114A, GLU39A, GLU76A, GLU76D, GLU77A, GLU77D, GLU82D, GLU88D, GLU99A, GLY101A, GLY34A, GLY36A, GLY85D, HIS86D, ILE113A, ILE35A, ILE57D, ILE81A, ILE81D, ILE95D, LEU104A, LEU75A, LEU75D, LYS32A, LYS56D, LYS65D, LYS73A, LYS73D, LYS74A, LYS74D, LYS78A, LYS79A, LYS90D, PHE111A, PHE33A, SER53D, SER58D, SER69D, SER87D, THR30A, THR71D, THR92D, THR98A, TYR105A, TYR29A, TYR80A, TYR93D, VAL107A, VAL54D, VAL68D, VAL72D, VAL83D
• B-C: ARG70B, ARG8C
• B-D: ALA108B, ALA108D, ALA10B, ALA10D, ALA112B, ALA112D, ALA126B, ALA126D, ALA12B, ALA12D, ALA18B, ALA18D, ALA28D, ALA49B, ALA49D, ALA66D, ALA67B, ALA67D, ARG115B, ARG115D, ARG139B, ARG139D, ARG41B, ARG41D, ARG70D, ARG8B, ARG8D, ASN140B, ASN140D, ASN15B, ASN15D, ASN19B, ASN19D, ASN5B, ASN5D, ASP110B, ASP110D, ASP129B, ASP129D, ASP143B, ASP143D, ASP51B, ASP59B, ASP59D, ASP64B, ASP64D, ASP7B, ASP7D, CYS52B, GLN102B, GLN102D, GLN118B, GLN118D, GLN130B, GLN130D, GLN13B, GLN13D, GLN144B, GLN144D, GLN2B, GLN31D, GLN55B, GLN55D, GLU103B, GLU106B, GLU106D, GLU114B, GLU114D, GLU116B, GLU116D, GLU121B, GLU121D, GLU122B, GLU122D, GLU124B, GLU124D, GLU125B, GLU125D, GLU127B, GLU127D, GLU39D, GLY36D, GLY62B, GLY62D, HIS9B, HIS9D, ILE113B, ILE113D, ILE133B, ILE133D, ILE14B, ILE14D, ILE35D, ILE42B, ILE42D, ILE43B, ILE43D, ILE4B, ILE4D, ILE57B, ILE57D, ILE60B, ILE60D, ILE6B, ILE6D, LEU104B, LEU104D, LEU119B, LEU119D, LEU120B, LEU120D, LEU131B, LEU131D, LEU134B, LEU134D, LEU135B, LEU135D, LEU138B, LEU138D, LEU17B, LEU17D, LEU21B, LEU21D, LEU23B, LEU23D, LEU46B, LEU46D, LEU61B, LEU61D, LEU63B, LEU63D, LEU97D, LYS117B, LYS117D, LYS128B, LYS128D, LYS136B, LYS136D, LYS137B, LYS137D, LYS141B, LYS141D, LYS20B, LYS20D, LYS24D, LYS3B, LYS56B, LYS56D, LYS65B, LYS65D, LYS74D, LYS78D, PHE111B, PHE111D, PHE123B, PHE123D, PHE132B, PHE132D, SER109B, SER109D, SER25D, SER26D, SER44B, SER44D, SER47B, SER47D, SER48B, SER48D, SER50B, SER53B, SER58B, SER58D, THR11B, THR11D, THR27D, THR30D, THR38D, THR71D, TRP40B, TRP40D, TYR105B, TYR105D, TYR29D, VAL107B, VAL107D, VAL142B, VAL142D, VAL45B, VAL45D, VAL68B, VAL68D
• C-D: ALA66D, ALA67D, ARG70D, ASN5C, ASP64D, GLN55D, ILE4C, LYS65D, SER58D, SER69D, TYR93D, VAL54D, VAL68D