1YLK

crystal structure of rv1284 from mycobacterium tuberculosis in complex with thiocyanate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 280
  • Norm. En. per Res.: -5.7666
• 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	-182.824	-135.5325	-1296.29	-1614.6465	280	33	16	45917	14	108	74
B-C	0.0	0.0	-0.0051	-0.0051	2	0	0	5	0	0	3
C-D	-173.9496	-137.0528	-1285.84	-1596.8424	280	30	19	45647	14	110	75

Interface residues

• A-B: ALA104A, ALA104B, ALA154A, ALA154B, ALA15A, ALA15B, ALA31A, ALA31B, ALA34A, ALA34B, ALA38A, ALA38B, ALA53A, ALA53B, ALA59A, ALA59B, ALA72A, ALA72B, ALA9A, ALA9B, ARG103A, ARG103B, ARG112A, ARG112B, ARG133A, ARG133B, ARG147A, ARG147B, ARG39A, ARG39B, ARG44A, ARG44B, ARG57A, ARG57B, ARG69A, ARG69B, ARG76A, ARG76B, ARG81A, ARG81B, ASN10A, ASN10B, ASN11A, ASN11B, ASN137A, ASN137B, ASN159A, ASN159B, ASN58A, ASN58B, ASP100A, ASP100B, ASP107A, ASP107B, ASP13A, ASP13B, ASP152A, ASP152B, ASP37A, ASP37B, ASP41A, ASP41B, ASP5A, ASP5B, ASP65A, ASP65B, ASP66A, ASP66B, ASP6A, ASP6B, ASP90A, ASP90B, ASP98A, ASP98B, CYS35A, CYS35B, CYS61A, CYS61B, CYS91A, CYS91B, GLN106A, GLN106B, GLN75A, GLN75B, GLU108A, GLU108B, GLU118A, GLU118B, GLU160A, GLU160B, GLU50A, GLU50B, GLU52A, GLU52B, GLU82A, GLU82B, GLY110A, GLY110B, GLY148A, GLY148B, GLY156A, GLY156B, GLY17A, GLY17B, GLY1A, GLY1B, GLY20A, GLY20B, GLY47A, GLY47B, GLY51A, GLY51B, GLY60A, GLY60B, GLY92A, GLY92B, HIS29A, HIS29B, HIS54A, HIS54B, HIS88A, HIS88B, ILE105A, ILE105B, ILE111A, ILE111B, ILE30A, ILE30B, ILE32A, ILE32B, ILE48A, ILE48B, ILE56A, ILE56B, ILE68A, ILE68B, ILE73A, ILE73B, ILE83A, ILE83B, ILE84A, ILE84B, LEU146A, LEU146B, LEU158A, LEU158B, LEU22A, LEU22B, LEU40A, LEU40B, LEU46A, LEU46B, LEU71A, LEU71B, LEU77A, LEU77B, LEU78A, LEU78B, LEU85A, LEU85B, LEU86A, LEU86B, LEU8A, LEU8B, LEU94A, LEU94B, LYS102A, LYS102B, LYS142A, LYS142B, LYS157A, LYS157B, LYS19A, LYS19B, LYS28A, LYS28B, LYS49A, LYS49B, MET24A, MET24B, MET36A, MET36B, MET45A, MET45B, MET93A, MET93B, PHE101A, PHE101B, PHE139A, PHE139B, PHE149A, PHE149B, PHE151A, PHE151B, PHE18A, PHE18B, PHE96A, PHE96B, PRO113A, PRO113B, PRO117A, PRO117B, PRO138A, PRO138B, PRO21A, PRO21B, PRO23A, PRO23B, PRO25A, PRO25B, PRO26A, PRO26B, SER116A, SER116B, SER119A, SER119B, SER145A, SER145B, SER16A, SER16B, SER27A, SER27B, SER70A, SER70B, SER74A, SER74B, THR109A, THR109B, THR114A, THR114B, THR141A, THR141B, THR144A, THR144B, THR155A, THR155B, THR2A, THR2B, THR4A, THR4B, THR64A, THR64B, THR80A, THR80B, THR89A, THR89B, THR95A, THR95B, THR97A, THR97B, TRP115A, TRP115B, TYR120A, TYR120B, TYR14A, TYR14B, TYR43A, TYR43B, TYR7A, TYR7B, VAL12A, VAL12B, VAL140A, VAL140B, VAL153A, VAL153B, VAL33A, VAL33B, VAL3A, VAL3B, VAL42A, VAL42B, VAL55A, VAL55B, VAL62A, VAL62B, VAL63A, VAL63B, VAL67A, VAL67B
• B-C: GLN106B, GLY1C
• C-D: ALA104C, ALA104D, ALA154C, ALA154D, ALA15C, ALA15D, ALA31C, ALA31D, ALA34C, ALA34D, ALA38C, ALA38D, ALA53C, ALA53D, ALA59C, ALA59D, ALA72C, ALA72D, ALA9C, ALA9D, ARG103C, ARG103D, ARG112C, ARG112D, ARG133C, ARG133D, ARG147C, ARG147D, ARG39C, ARG39D, ARG44C, ARG44D, ARG57C, ARG57D, ARG69C, ARG69D, ARG76C, ARG76D, ARG81C, ARG81D, ASN10C, ASN10D, ASN11C, ASN11D, ASN137C, ASN137D, ASN159C, ASN159D, ASN58C, ASN58D, ASP100C, ASP100D, ASP107C, ASP107D, ASP13C, ASP13D, ASP152C, ASP152D, ASP37C, ASP37D, ASP41C, ASP41D, ASP5C, ASP5D, ASP65C, ASP65D, ASP66C, ASP66D, ASP6C, ASP6D, ASP90C, ASP90D, ASP98C, ASP98D, CYS35C, CYS35D, CYS61C, CYS61D, CYS91C, CYS91D, GLN106C, GLN106D, GLN75C, GLN75D, GLU108C, GLU108D, GLU118C, GLU118D, GLU160C, GLU160D, GLU50C, GLU50D, GLU52C, GLU52D, GLU82C, GLU82D, GLY110C, GLY110D, GLY148C, GLY148D, GLY156C, GLY156D, GLY17C, GLY17D, GLY1C, GLY1D, GLY20C, GLY20D, GLY47C, GLY47D, GLY51C, GLY51D, GLY60C, GLY60D, GLY92C, GLY92D, HIS29C, HIS29D, HIS54C, HIS54D, HIS88C, HIS88D, ILE105C, ILE105D, ILE111C, ILE111D, ILE30C, ILE30D, ILE32C, ILE32D, ILE48C, ILE48D, ILE56C, ILE56D, ILE68C, ILE68D, ILE73C, ILE73D, ILE83C, ILE83D, ILE84C, ILE84D, LEU146C, LEU146D, LEU158C, LEU158D, LEU22C, LEU22D, LEU40C, LEU40D, LEU46C, LEU46D, LEU71C, LEU71D, LEU77C, LEU77D, LEU78C, LEU78D, LEU85C, LEU85D, LEU86C, LEU86D, LEU8C, LEU8D, LEU94C, LEU94D, LYS102C, LYS102D, LYS142C, LYS142D, LYS157C, LYS157D, LYS19C, LYS19D, LYS28C, LYS28D, LYS49C, LYS49D, MET24C, MET24D, MET36C, MET36D, MET45C, MET45D, MET93C, MET93D, PHE101C, PHE101D, PHE139C, PHE139D, PHE149C, PHE149D, PHE151C, PHE151D, PHE18C, PHE18D, PHE96C, PHE96D, PRO113C, PRO113D, PRO117C, PRO117D, PRO138C, PRO138D, PRO21C, PRO21D, PRO23C, PRO23D, PRO25C, PRO25D, PRO26C, PRO26D, SER116C, SER116D, SER119C, SER119D, SER145C, SER145D, SER16C, SER16D, SER27C, SER27D, SER70C, SER70D, SER74C, SER74D, THR109C, THR109D, THR114C, THR114D, THR141C, THR141D, THR144C, THR144D, THR155C, THR155D, THR2C, THR2D, THR4C, THR4D, THR64C, THR64D, THR80C, THR80D, THR89C, THR89D, THR95C, THR95D, THR97C, THR97D, TRP115C, TRP115D, TYR120C, TYR120D, TYR14C, TYR14D, TYR43C, TYR43D, TYR7C, TYR7D, VAL12C, VAL12D, VAL140C, VAL140D, VAL153C, VAL153D, VAL33C, VAL33D, VAL3C, VAL3D, VAL42C, VAL42D, VAL55C, VAL55D, VAL62C, VAL62D, VAL63C, VAL63D, VAL67C, VAL67D