3ZXQ

crystal structure of the atp-binding domain of mycobacterium tuberculosis dost

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 211
  • Norm. En. per Res.: -6.2402
• 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	-310.818	-92.3019	-913.552	-1316.672	211	38	46	34459	18	89	86

Interface residues

• A-B: ALA487A, ALA487B, ALA490A, ALA490B, ALA492A, ALA492B, ALA497A, ALA497B, ALA501A, ALA501B, ALA505A, ALA505B, ALA507A, ALA507B, ALA511A, ALA511B, ALA547A, ALA547B, ALA550A, ALA550B, ALA570A, ALA570B, ARG456A, ARG456B, ARG495A, ARG495B, ARG503A, ARG503B, ARG521A, ARG521B, ARG541A, ARG541B, ARG544A, ARG544B, ARG546A, ARG546B, ARG567A, ARG567B, ARG573A, ARG573B, ASN488A, ASN488B, ASN500A, ASN500B, ASN506A, ASN506B, ASN513A, ASN513B, ASN542A, ASN542B, ASN558A, ASN558B, ASP483A, ASP483B, ASP518A, ASP518B, ASP519A, ASP519B, ASP526A, ASP526B, ASP527A, ASP527B, ASP534A, ASP534B, ASP548A, ASP548B, ASP549A, ASP549B, GLN474A, GLN474B, GLN545A, GLN545B, GLU491A, GLU491B, GLU496A, GLU496B, GLU517A, GLU517B, GLU523A, GLU523B, GLU553A, GLU553B, GLU557A, GLU557B, GLY477A, GLY477B, GLY528A, GLY528B, GLY530A, GLY530B, GLY533A, GLY533B, GLY539A, GLY539B, GLY551A, GLY551B, GLY552A, GLY552B, GLY562A, GLY563A, GLY563B, HIS470A, HIS470B, HIS489A, HIS489B, HIS504A, HIS504B, ILE461A, ILE461B, ILE512A, ILE512B, ILE531A, ILE531B, ILE535A, ILE535B, LEU453A, LEU453B, LEU457A, LEU457B, LEU469A, LEU469B, LEU479A, LEU479B, LEU486A, LEU486B, LEU494A, LEU494B, LEU510A, LEU510B, LEU540A, LEU540B, LEU543A, LEU543B, LEU565A, LEU565B, LEU566A, LEU566B, LEU572A, LEU572B, LEU574B, MET559A, MET559B, PHE554A, PHE554B, PRO478A, PRO478B, PRO560A, PRO560B, PRO571A, PRO571B, SER480B, SER499A, SER499B, SER509A, SER509B, SER515A, SER515B, SER532A, SER532B, SER538A, SER538B, SER569A, SER569B, THR471A, THR471B, THR472A, THR472B, THR476A, THR476B, THR508A, THR508B, THR536A, THR536B, THR555A, THR555B, THR564A, THR564B, TRP568A, TRP568B, TYR475A, TYR475B, VAL473A, VAL473B, VAL481A, VAL481B, VAL482A, VAL482B, VAL485A, VAL485B, VAL493A, VAL493B, VAL498A, VAL498B, VAL502A, VAL502B, VAL514A, VAL514B, VAL516A, VAL516B, VAL520A, VAL520B, VAL522A, VAL522B, VAL524A, VAL524B, VAL525A, VAL525B, VAL529A, VAL529B, VAL556A, VAL556B