2P5U

crystal structure of thermus thermophilus hb8 udp-glucose 4- epimerase complex with nad

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 120
  • Norm. En. per Res.: -2.7187
• 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	0.0	-2.8403	-64.6214	-67.4617	38	0	0	3108	0	15	12
A-D	-13.1614	9.1957	-322.284	-326.2497	120	16	13	13645	0	23	17
B-C	0.0	4.5243	-308.432	-303.9077	116	12	13	13518	0	24	17
B-D	0.0	0.0	-0.001	-0.001	3	0	0	3	0	0	0
C-D	0.0	-3.6793	-76.4754	-80.1547	41	0	0	3336	0	14	13

Interface residues

• A-B: ALA204A, ALA224B, ALA226B, ALA228B, ALA22B, ALA230B, ALA268A, ALA287B, ARG205A, ARG23B, ARG249A, ASP19B, ASP210A, GLN266A, GLU225B, GLU276A, GLY209A, GLY24B, GLY289B, HIS227B, HIS288B, LEU20B, LEU21B, LEU229B, LEU231B, LEU234B, LEU25B, LYS206A, LYS293B, MET1B, PHE232B, PRO208A, PRO267A, PRO269A, PRO270A, SER233B, THR207A, TRP290B
• A-D: ALA120D, ALA144A, ALA144D, ALA145A, ALA145D, ALA148A, ALA148D, ALA149A, ALA149D, ARG105A, ARG105D, ARG138A, ARG138D, ARG169D, ASN93A, ASN93D, ASN99A, ASN99D, ASP274A, ASP85A, ASP85D, ASP89A, ASP89D, GLN159A, GLN159D, GLU102A, GLU102D, GLU124A, GLU124D, GLU133D, GLU151A, GLU151D, GLU84A, GLU84D, GLU91A, GLU91D, GLY123A, GLY123D, GLY158A, GLY158D, GLY273A, GLY273D, GLY96A, GLY96D, GLY97A, GLY97D, HIS152A, HIS152D, ILE121A, ILE121D, ILE237A, ILE237D, LEU101A, LEU101D, LEU154A, LEU154D, LEU275A, LEU275D, LEU88A, LEU88D, LEU94A, LEU94D, LEU95A, LEU95D, LEU98A, LEU98D, LYS140A, LYS140D, LYS147A, LYS147D, LYS55A, LYS55D, LYS80D, PHE150A, PHE150D, PHE90A, PHE90D, PRO136A, PRO136D, PRO137A, PRO137D, PRO139A, PRO139D, PRO142A, PRO142D, PRO272A, PRO272D, PRO86A, PRO86D, SER141A, SER141D, SER146A, SER146D, SER155A, SER155D, SER160A, SER160D, SER82A, SER82D, THR134A, THR134D, TRP135A, TRP135D, TYR143A, TYR143D, TYR153A, TYR153D, TYR157A, TYR157D, TYR161A, TYR161D, VAL156A, VAL156D, VAL79A, VAL81A, VAL81D, VAL83A, VAL83D, VAL87A, VAL87D
• B-C: ALA120B, ALA144B, ALA144C, ALA145B, ALA145C, ALA148B, ALA148C, ALA149B, ALA149C, ARG105B, ARG105C, ARG138B, ARG138C, ARG169C, ASN93B, ASN93C, ASN99B, ASN99C, ASP85B, ASP85C, ASP89B, ASP89C, GLN106C, GLN159B, GLN159C, GLU102B, GLU102C, GLU124C, GLU133B, GLU151B, GLU151C, GLU59B, GLU84B, GLU84C, GLU91B, GLU91C, GLY123C, GLY158B, GLY158C, GLY273B, GLY273C, GLY96B, GLY96C, GLY97B, GLY97C, HIS152B, HIS152C, ILE121B, ILE121C, ILE237B, ILE237C, LEU101B, LEU101C, LEU154B, LEU154C, LEU275B, LEU275C, LEU88B, LEU88C, LEU94B, LEU94C, LEU95B, LEU95C, LEU98B, LEU98C, LYS140B, LYS140C, LYS147B, LYS147C, LYS55B, LYS55C, PHE150B, PHE150C, PHE90B, PHE90C, PRO136B, PRO136C, PRO137B, PRO137C, PRO139B, PRO139C, PRO142B, PRO142C, PRO272C, PRO86B, PRO86C, SER141B, SER141C, SER146B, SER146C, SER155B, SER155C, SER160B, SER160C, SER82B, SER82C, THR134B, THR134C, TRP135B, TRP135C, TYR143B, TYR143C, TYR153B, TYR153C, TYR157B, TYR157C, TYR161B, TYR161C, VAL156B, VAL156C, VAL81B, VAL81C, VAL83B, VAL83C, VAL87B, VAL87C
• B-D: GLY162D, LYS164B, LYS164D
• C-D: ALA204C, ALA224D, ALA226D, ALA228D, ALA22D, ALA230D, ALA268C, ALA287D, ARG205C, ARG23D, ASP19D, ASP210C, GLN266C, GLU211C, GLU225D, GLU26D, GLU276C, GLY209C, GLY24D, GLY289D, HIS227D, HIS288D, LEU20D, LEU21D, LEU229D, LEU231D, LEU234D, LEU25D, LEU285D, LYS206C, LYS293D, MET1D, PHE232D, PRO208C, PRO267C, PRO269C, PRO270C, SER233D, THR207C, TRP290D, VAL3D