3GVC

crystal structure of probable short-chain dehydrogenase- reductase from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 142
  • Norm. En. per Res.: -3.3975
• 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	-49.1786	-57.558	-375.714	-482.4506	142	15	11	14877	4	23	24
A-C	0.0	-17.9717	-64.7367	-82.7084	45	1	3	2815	0	9	14
C-D	-49.979	-54.089	-379.132	-483.2	143	17	10	14871	4	26	29

Interface residues

• A-B: ALA190A, ALA190B, ALA191A, ALA191B, ALA206A, ALA206B, ALA234A, ALA234B, ALA241A, ALA241B, ALA242A, ALA242B, ALA247A, ALA247B, ALA258A, ALA258B, ALA268A, ALA268B, ALA274A, ALA274B, ALA275A, ALA275B, ALA28A, ARG187A, ARG187B, ARG194A, ARG194B, ARG199A, ARG199B, ARG235A, ARG235B, ARG239A, ARG239B, ARG48A, ARG48B, ASN201A, ASN201B, ASN23B, ASP209B, ASP256A, ASP256B, ASP257A, ASP257B, ASP269A, ASP269B, GLN184A, GLN184B, GLN237A, GLN237B, GLN266A, GLN266B, GLU192A, GLU192B, GLU244A, GLU244B, GLU245A, GLU245B, GLU52A, GLU52B, GLY197A, GLY238A, GLY238B, GLY248A, GLY248B, GLY263A, GLY263B, GLY270A, GLY270B, GLY271A, GLY271B, HIS24B, ILE188A, ILE188B, ILE233A, ILE233B, ILE249A, ILE249B, ILE261A, ILE261B, ILE267A, ILE267B, ILE273A, ILE273B, LEU193A, LEU193B, LEU203A, LEU203B, LEU204A, LEU204B, LEU236A, LEU236B, LEU253A, LEU253B, LEU254A, LEU276A, LEU276B, LEU27A, MET22B, MET232A, MET232B, MET240A, MET240B, MET246A, MET246B, MET260A, MET260B, PHE207A, PHE207B, PHE252A, PHE252B, PRO205A, PRO205B, PRO25B, SER186A, SER186B, SER195A, SER195B, SER200A, SER200B, SER21B, SER255A, SER255B, SER259A, SER259B, THR189A, THR189B, THR262A, THR262B, THR264A, THR264B, THR265A, THR265B, THR272A, THR272B, TRP277A, TRP277B, VAL208A, VAL208B, VAL250A, VAL250B, VAL251A, VAL251B
• A-C: ALA100A, ALA100C, ALA28C, ALA92A, ALA96A, ALA99A, ALA99C, ARG148A, ARG148C, ARG152C, ASP105C, ASP26C, ASP86A, ASP95A, ASP95C, CYS54C, CYS75C, CYS97A, CYS97C, GLN88A, GLN89A, GLU151A, GLU87A, GLY102A, GLY102C, GLY103A, GLY103C, GLY29C, GLY53C, GLY76C, HIS144A, HIS55C, ILE90A, ILE91A, LEU27C, LYS143A, LYS30C, MET93A, PHE101A, PHE101C, PRO147A, VAL31C, VAL94A, VAL98A, VAL98C
• C-D: ALA190C, ALA190D, ALA191C, ALA191D, ALA206C, ALA206D, ALA234C, ALA234D, ALA241C, ALA241D, ALA242C, ALA242D, ALA247C, ALA247D, ALA258C, ALA258D, ALA268C, ALA268D, ALA274C, ALA274D, ALA275C, ALA275D, ARG187C, ARG187D, ARG194C, ARG194D, ARG199C, ARG199D, ARG235C, ARG235D, ARG239C, ARG239D, ARG48C, ARG48D, ASN201C, ASN201D, ASN23D, ASP256C, ASP256D, ASP257C, ASP257D, ASP269C, ASP269D, ASP26C, ASP26D, GLN184C, GLN184D, GLN237C, GLN237D, GLN266C, GLN266D, GLU192C, GLU192D, GLU244C, GLU244D, GLU245C, GLU245D, GLU52C, GLU52D, GLY197C, GLY197D, GLY238C, GLY238D, GLY248C, GLY248D, GLY263C, GLY263D, GLY270C, GLY270D, GLY271C, GLY271D, HIS24D, ILE188C, ILE188D, ILE233C, ILE233D, ILE249C, ILE249D, ILE261C, ILE261D, ILE267C, ILE267D, ILE273C, ILE273D, LEU193C, LEU193D, LEU203C, LEU203D, LEU204C, LEU204D, LEU236C, LEU236D, LEU253C, LEU253D, LEU254C, LEU276C, LEU276D, LEU27C, MET22D, MET232C, MET232D, MET240C, MET240D, MET246C, MET246D, MET260C, MET260D, PHE207C, PHE207D, PHE252C, PHE252D, PRO205C, PRO205D, PRO243D, PRO25D, SER186C, SER186D, SER195C, SER195D, SER200C, SER200D, SER21D, SER255C, SER255D, SER259C, SER259D, THR189C, THR262C, THR262D, THR264C, THR264D, THR265C, THR265D, THR272C, THR272D, TRP277C, TRP277D, VAL208C, VAL208D, VAL250C, VAL250D, VAL251C, VAL251D