2NYX

crystal structure of rv1404 from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 187
  • Norm. En. per Res.: -5.4451
• 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	-42.0107	-156.3248	-762.378	-960.7136	182	29	53	34269	10	62	54
B-C	-21.3489	-10.6366	-98.9815	-130.967	59	4	1	4410	4	20	28
C-D	-76.7318	-163.5234	-777.985	-1018.2402	187	30	56	34695	7	63	52

Interface residues

• A-B: ALA10A, ALA125A, ALA125B, ALA132A, ALA132B, ALA134A, ALA134B, ALA142A, ALA142B, ALA145A, ALA145B, ALA149A, ALA149B, ALA155B, ALA20A, ALA20B, ALA24A, ALA24B, ALA30A, ALA30B, ALA33A, ALA33B, ALA37A, ALA37B, ALA75B, ALA8A, ARG114B, ARG120A, ARG120B, ARG121A, ARG121B, ARG126A, ARG126B, ARG136A, ARG136B, ARG141A, ARG141B, ARG156B, ARG26A, ARG26B, ARG49A, ARG49B, ARG78A, ARG78B, ARG82B, ASN42A, ASN42B, ASN56A, ASN56B, ASP154B, ASP15A, ASP15B, ASP19A, ASP19B, ASP40A, ASP40B, GLN130A, GLN130B, GLN38A, GLN38B, GLN47A, GLN47B, GLN72B, GLU118A, GLU118B, GLU11A, GLU123A, GLU123B, GLU129A, GLU129B, GLU12A, GLU12B, GLU135A, GLU135B, GLU148A, GLU148B, GLU152A, GLU152B, GLU41A, GLU41B, GLY138A, GLY138B, GLY150A, GLY150B, GLY151A, GLY151B, GLY70A, GLY70B, HIS119A, HIS119B, HIS137A, HIS137B, HIS34A, HIS34B, ILE124A, ILE124B, ILE127A, ILE127B, ILE17A, ILE17B, ILE31A, ILE31B, ILE36A, ILE36B, ILE43A, ILE43B, ILE45A, ILE45B, ILE53B, LEU139A, LEU139B, LEU143A, LEU143B, LEU21A, LEU21B, LEU22A, LEU22B, LEU27A, LEU27B, LEU28A, LEU28B, LEU51B, LEU68B, LEU69A, LEU69B, PHE146A, PHE146B, PHE48A, PHE48B, PRO133A, PRO133B, PRO153B, PRO46A, PRO46B, PRO73B, PRO7A, SER13A, SER13B, SER25A, SER25B, SER32A, SER32B, SER35A, SER35B, SER55B, SER74B, THR117A, THR117B, THR122A, THR122B, THR144A, THR144B, THR147A, THR147B, THR18A, THR18B, THR23A, THR23B, THR44A, THR44B, THR50B, THR67B, THR76B, THR9A, VAL113B, VAL116A, VAL116B, VAL128A, VAL128B, VAL140A, VAL140B, VAL14A, VAL14B, VAL16A, VAL16B, VAL29A, VAL29B, VAL39A, VAL39B, VAL52A, VAL52B, VAL71B
• B-C: ALA103B, ALA104B, ALA63C, ALA66C, ALA75C, ALA86C, ARG110B, ARG156B, ARG78C, ARG82C, ARG91B, ARG91C, ARG98B, ARG98C, ARG99B, ARG99C, ASN56B, ASN61C, ASP111B, ASP81C, ASP90B, GLN72C, GLU100C, GLU87C, GLY58B, GLY77C, GLY85C, HIS57B, HIS94B, HIS94C, ILE53B, ILE60B, ILE89C, LEU101B, LEU101C, LEU102B, LEU102C, LEU105B, LEU54B, LEU62C, LEU83C, LEU92B, LEU92C, LYS107B, PRO153B, PRO59B, PRO73C, PRO93B, PRO93C, PRO95B, SER55B, SER74C, SER97B, SER97C, THR106B, THR76C, THR96B, VAL80C, VAL84C
• C-D: ALA10C, ALA125C, ALA125D, ALA132C, ALA132D, ALA134C, ALA134D, ALA142C, ALA142D, ALA145C, ALA145D, ALA149C, ALA149D, ALA155D, ALA20C, ALA20D, ALA24C, ALA24D, ALA30C, ALA30D, ALA33C, ALA33D, ALA37C, ALA37D, ALA66D, ALA75D, ALA8C, ARG114D, ARG120C, ARG120D, ARG121C, ARG121D, ARG126C, ARG126D, ARG136C, ARG136D, ARG141C, ARG141D, ARG156D, ARG26C, ARG26D, ARG49C, ARG49D, ARG78D, ARG82C, ARG82D, ASN42C, ASN42D, ASN56C, ASN56D, ASP154D, ASP15C, ASP15D, ASP19C, ASP19D, ASP40C, ASP40D, GLN130C, GLN130D, GLN38C, GLN38D, GLN47C, GLN47D, GLN72D, GLU118C, GLU118D, GLU11C, GLU11D, GLU123C, GLU123D, GLU129C, GLU129D, GLU12C, GLU12D, GLU135C, GLU135D, GLU148C, GLU148D, GLU152C, GLU152D, GLU41C, GLU41D, GLY138C, GLY138D, GLY150C, GLY150D, GLY151C, GLY151D, GLY70C, GLY70D, HIS119C, HIS119D, HIS137C, HIS137D, HIS34C, HIS34D, HIS57C, ILE124C, ILE124D, ILE127C, ILE127D, ILE17C, ILE17D, ILE31C, ILE31D, ILE36C, ILE36D, ILE43C, ILE43D, ILE45C, ILE45D, ILE53C, ILE53D, LEU139C, LEU139D, LEU143C, LEU143D, LEU21C, LEU21D, LEU22C, LEU22D, LEU27C, LEU27D, LEU28C, LEU28D, LEU51D, LEU68C, LEU68D, LEU69D, PHE146C, PHE146D, PHE48C, PHE48D, PRO133C, PRO133D, PRO153D, PRO46C, PRO46D, PRO73D, PRO7C, SER13C, SER13D, SER25C, SER25D, SER32C, SER32D, SER35C, SER35D, SER55C, SER55D, SER74D, THR117C, THR117D, THR122C, THR122D, THR144C, THR144D, THR147C, THR147D, THR18C, THR18D, THR23C, THR23D, THR44C, THR44D, THR50D, THR67D, THR76D, THR9C, VAL113D, VAL116C, VAL116D, VAL128C, VAL128D, VAL140C, VAL140D, VAL14C, VAL14D, VAL16C, VAL16D, VAL29C, VAL29D, VAL39C, VAL39D, VAL52C, VAL52D, VAL71D