3T8A

crystal structure of mycobacterium tuberculosis menb in complex with substrate analogue, osb-ncoa

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 121
  • Norm. En. per Res.: -4.9033
• 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	-29.6302	-0.85	-290.119	-320.5993	116	8	8	11122	0	18	14
A-C	-34.2786	1.0177	-330.223	-363.4839	129	8	6	12699	3	26	30
B-C	-101.4726	-49.8324	-441.995	-593.3	121	24	17	16395	8	25	25

Interface residues

• A-B: ALA247A, ALA248A, ALA252A, ALA257A, ALA257B, ALA264A, ALA264B, ALA279A, ALA279B, ALA282A, ALA282B, ALA286A, ALA286B, ALA292A, ALA292B, ALA46A, ALA76A, ARG259A, ARG259B, ARG284A, ARG284B, ARG312B, ARG41A, ARG77A, ASN251A, ASN266A, ASN266B, ASP269A, ASP269B, ASP290A, ASP290B, ASP306B, ASP45A, ASP81A, GLN256A, GLN256B, GLN258A, GLN258B, GLN275A, GLN275B, GLN276A, GLN276B, GLU281A, GLU281B, GLU291A, GLU291B, GLU294A, GLU294B, GLY271A, GLY271B, GLY274A, GLY274B, GLY280A, GLY280B, GLY295A, GLY295B, GLY83A, ILE250A, LEU261A, LEU261B, LEU267A, LEU267B, LEU268A, LEU268B, LEU272A, LEU272B, LEU277A, LEU277B, LEU285A, LEU285B, LYS148A, LYS253A, LYS253B, LYS262A, LYS262B, MET146A, MET260A, MET260B, MET288A, MET288B, MET78A, PHE145A, PHE263A, PHE263B, PHE265A, PHE265B, PHE278A, PHE278B, PHE310B, PHE314B, PRO147A, PRO255A, PRO255B, PRO304B, PRO305B, PRO309B, PRO311B, PRO80A, SER254A, SER254B, SER308B, SER79A, THR283A, THR283B, THR289A, THR289B, THR47A, TRP307B, TYR287A, TYR287B, TYR313B, VAL149A, VAL293A, VAL293B, VAL82A, VAL84A
• A-C: ALA186C, ALA198A, ALA198C, ALA201A, ALA201C, ALA279A, ALA279C, ALA282A, ALA282C, ALA286A, ALA286C, ALA292A, ARG141A, ARG141C, ARG144A, ARG144C, ARG202A, ARG202C, ARG284A, ARG284C, ARG77A, ARG77C, ASN266A, ASN266C, ASP185C, ASP187C, ASP192A, ASP192C, ASP269A, ASP269C, ASP270A, ASP270C, ASP290C, ASP74A, ASP74C, GLN140A, GLN140C, GLN203A, GLN203C, GLN275A, GLN275C, GLN276A, GLN276C, GLU138A, GLU138C, GLU281A, GLU281C, GLU291A, GLU294A, GLY189A, GLY189C, GLY193A, GLY193C, GLY194A, GLY194C, GLY196A, GLY196C, GLY271A, GLY271C, GLY274A, GLY274C, GLY280A, GLY280C, GLY295A, HIS135A, HIS135C, ILE136A, ILE136C, ILE143A, ILE143C, LEU134A, LEU134C, LEU137A, LEU137C, LEU142A, LEU142C, LEU200A, LEU200C, LEU267A, LEU267C, LEU268A, LEU268C, LEU272A, LEU272C, LEU277A, LEU277C, LEU285A, LEU285C, MET146A, MET146C, MET78A, MET78C, PHE145A, PHE145C, PHE191A, PHE191C, PHE263A, PHE263C, PHE278A, PHE278C, PRO147A, PRO147C, SER190A, SER190C, SER197A, SER197C, THR283A, THR283C, THR289A, THR289C, TYR195A, TYR195C, TYR199A, TYR199C, TYR287A, TYR287C, TYR70A, TYR70C, VAL139A, VAL139C, VAL167A, VAL167C, VAL168A, VAL168C, VAL188A, VAL188C, VAL273A, VAL273C, VAL293A
• B-C: ALA186C, ALA198C, ALA201B, ALA201C, ALA209C, ALA229B, ALA232B, ALA247B, ALA248B, ALA252B, ALA257B, ALA264B, ALA282B, ARG141C, ARG144B, ARG144C, ARG202B, ARG202C, ARG210C, ARG217C, ARG259B, ASN231B, ASN251B, ASN266B, ASP170B, ASP185C, ASP187C, ASP192C, ASP269B, ASP269C, ASP270B, CYS152B, CYS169B, GLN183C, GLN203B, GLN203C, GLN206C, GLN223C, GLN226B, GLN226C, GLN245B, GLN256B, GLN258B, GLU138C, GLU211C, GLU249B, GLU281B, GLY189C, GLY193C, GLY194C, GLY196C, GLY205B, GLY205C, GLY216C, GLY228B, GLY243B, GLY271B, HIS135C, HIS163B, HIS166B, HIS225B, ILE143B, ILE151B, ILE212C, ILE250B, LEU134C, LEU165B, LEU171B, LEU173B, LEU200B, LEU200C, LEU215C, LEU261B, LEU267B, LEU268B, LEU268C, LEU285B, LYS148B, LYS182C, LYS207C, LYS253B, LYS262B, MET224B, MET227B, MET227C, MET260B, PHE181B, PHE191C, PHE208C, PHE213C, PHE214C, PHE263B, PHE265B, PHE278B, PHE314B, PRO255B, SER164B, SER190C, SER197C, SER254B, THR172B, THR184C, THR218C, TRP246B, TYR195B, TYR195C, TYR199B, TYR199C, TYR219C, TYR313B, VAL149B, VAL150B, VAL154B, VAL167B, VAL168B, VAL188C, VAL204B, VAL204C, VAL230B, VAL242B, VAL84B