3OKR

structure of mtb apo 2-c-methyl-d-erythritol 4-phosphate cytidyltransferase (ispd)

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -4.6489
• 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	-178.7575	-103.7479	-428.77	-711.2754	153	27	24	19514	11	34	35
A-D	0.0	0.0	-9.3058	-9.3058	27	0	0	560	0	12	11
B-C	-3.8319	0.0	-6.2483	-10.0802	15	0	0	255	0	12	10
C-D	-184.3405	-104.435	-430.126	-718.9014	155	29	26	19402	12	34	35
D-F	-38.9812	0.0	-44.3996	-83.3808	31	3	0	2440	0	0	0

Interface residues

• A-B: ALA131A, ALA131B, ALA144A, ALA144B, ALA147A, ALA147B, ALA158A, ALA158B, ALA162A, ALA162B, ALA194A, ALA194B, ALA213A, ALA213B, ALA225A, ALA225B, ALA227A, ALA227B, ARG110A, ARG110B, ARG157A, ARG157B, ARG161A, ARG161B, ARG230A, ARG230B, ASN148A, ASN148B, ASP107B, ASP140A, ASP140B, ASP146A, ASP146B, ASP192A, ASP192B, ASP193A, ASP193B, ASP210A, ASP210B, ASP221A, ASP221B, GLN164A, GLN164B, GLN167A, GLN167B, GLN203A, GLN203B, GLN205A, GLN205B, GLN226A, GLN226B, GLU156A, GLU156B, GLU198A, GLU198B, GLY149A, GLY149B, GLY153A, GLY153B, GLY159A, GLY159B, GLY202A, GLY202B, GLY231A, GLY231B, HIS199A, ILE142A, ILE142B, ILE216B, ILE228A, ILE228B, LEU112A, LEU112B, LEU136A, LEU136B, LEU138A, LEU138B, LEU152A, LEU152B, LEU160A, LEU160B, LEU196A, LEU196B, LEU212A, LEU212B, LEU220A, LEU220B, LEU222A, LEU222B, LEU223A, LEU223B, LEU224A, LEU224B, LYS143A, LYS143B, LYS215A, LYS215B, LYS219A, LYS219B, PHE169A, PHE169B, PHE214A, PHE214B, PRO134A, PRO134B, PRO137B, PRO155A, PRO155B, PRO211A, PRO211B, SER139A, SER139B, SER195A, SER195B, THR141A, THR141B, THR154A, THR154B, THR165A, THR165B, THR191A, THR191B, THR217A, THR217B, THR218A, THR218B, TYR129A, TYR129B, TYR190A, VAL132A, VAL132B, VAL133A, VAL133B, VAL135A, VAL135B, VAL145A, VAL145B, VAL150A, VAL150B, VAL151A, VAL151B, VAL163A, VAL163B, VAL197A, VAL197B, VAL204A, VAL204B, VAL206A, VAL206B, VAL207A, VAL207B, VAL229A, VAL229B
• A-D: ALA116D, ARG120D, ARG230A, ARG230D, ARG62A, ASP210D, ASP33A, ASP43D, ASP47D, ASP61A, GLN226A, GLN31A, GLN35D, GLU65A, GLY231D, GLY44D, GLY49D, LEU212D, LEU223A, LEU46D, LYS219A, PHE29A, PRO115D, PRO26A, SER48D, TYR30A, VAL229D
• B-C: ARG230B, ARG230C, ASP33C, ASP61C, GLN226C, GLY231B, ILE228B, LEU222C, LEU223C, LEU46B, LYS219C, PRO115B, PRO26C, TYR30C, VAL229B
• C-D: ALA131C, ALA131D, ALA144C, ALA144D, ALA147C, ALA147D, ALA158C, ALA158D, ALA162C, ALA162D, ALA194C, ALA194D, ALA213C, ALA213D, ALA225C, ALA225D, ALA227C, ALA227D, ARG110C, ARG110D, ARG157C, ARG157D, ARG161C, ARG161D, ARG230C, ARG230D, ASN148C, ASN148D, ASP107C, ASP140C, ASP140D, ASP146C, ASP146D, ASP192C, ASP192D, ASP193C, ASP193D, ASP210C, ASP210D, ASP221C, ASP221D, GLN164C, GLN164D, GLN167C, GLN167D, GLN203C, GLN203D, GLN205C, GLN205D, GLN226C, GLN226D, GLU156C, GLU156D, GLU198C, GLU198D, GLY149C, GLY149D, GLY153C, GLY153D, GLY159C, GLY159D, GLY202C, GLY202D, GLY231C, GLY231D, HIS199C, HIS199D, ILE142C, ILE142D, ILE216C, ILE228C, ILE228D, LEU112C, LEU112D, LEU136C, LEU136D, LEU138C, LEU138D, LEU152C, LEU152D, LEU160C, LEU160D, LEU196C, LEU196D, LEU212C, LEU212D, LEU220C, LEU220D, LEU222C, LEU222D, LEU223C, LEU223D, LEU224C, LEU224D, LYS143C, LYS143D, LYS215C, LYS215D, LYS219C, LYS219D, PHE169C, PHE169D, PHE214C, PHE214D, PRO134C, PRO134D, PRO137C, PRO137D, PRO155C, PRO155D, PRO211C, PRO211D, SER139C, SER139D, SER195C, SER195D, THR141C, THR141D, THR154C, THR154D, THR165C, THR165D, THR191C, THR191D, THR217C, THR217D, THR218C, THR218D, TYR129C, TYR129D, TYR190C, VAL132C, VAL132D, VAL133C, VAL133D, VAL135C, VAL135D, VAL145C, VAL145D, VAL150C, VAL150D, VAL151C, VAL151D, VAL163C, VAL163D, VAL197C, VAL197D, VAL204C, VAL204D, VAL206C, VAL206D, VAL207C, VAL207D, VAL229C, VAL229D
• D-F: ALA57D, ALA60D, ALA74D, ALA78D, ALA90D, ARG67D, ARG73D, GLY71D, GLY79D, GLY80D, HIS72D, ILE76D, LEU70D, LEU89D, MET75D, PRO59D, THR53D, THR63D, UNK12F, UNK13F, UNK14F, UNK15F, UNK16F, UNK17F, UNK18F, VAL54D, VAL55D, VAL56D, VAL58D, VAL77D, VAL93D