1VSQ

solution nmr structure of the productive complex between iiamannose and iibmannose of the mannose transporter of the e. coli phosphotransferase system

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 146
  • Norm. En. per Res.: -3.1048
• 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	-61.8435	16.5281	-407.992	-453.3074	146	14	19	18106	0	36	27
A-C	0.0	0.5872	-77.6602	-77.073	62	13	2	4527	0	14	12
B-C	0.0	-15.24	-62.546	-77.7859	50	3	0	3190	0	15	5

Interface residues

• A-B: ALA116A, ALA116B, ALA118A, ALA118B, ALA128A, ALA128B, ALA131A, ALA131B, ALA13A, ALA13B, ALA14A, ALA14B, ALA21A, ALA21B, ALA77A, ALA77B, ALA91A, ALA91B, ARG123A, ARG123B, ARG79A, ARG79B, ASN75A, ASN75B, ASN94A, ASN94B, ASP112A, ASP112B, ASP67A, ASP67B, ASP83A, ASP83B, GLN16A, GLN16B, GLU100A, GLU100B, GLU120A, GLU120B, GLU124A, GLU124B, GLU15A, GLU15B, GLU22A, GLU22B, GLU88A, GLU88B, GLY11A, GLY11B, GLY122A, GLY122B, GLY125A, GLY125B, GLY70A, GLY70B, GLY71A, GLY71B, GLY8A, GLY8B, GLY92A, GLY92B, ILE80A, ILE80B, ILE90A, ILE90B, ILE95A, ILE95B, LEU117A, LEU117B, LEU129A, LEU129B, LEU17A, LEU17B, LEU18A, LEU18B, LEU24A, LEU24B, LEU63A, LEU63B, LEU65A, LEU65B, LEU98A, LEU98B, LYS127A, LYS127B, LYS130A, LYS130B, LYS132A, LYS132B, LYS19A, LYS19B, MET23A, MET23B, MET97A, MET97B, PHE111A, PHE111B, PHE36A, PHE36B, PHE64A, PHE64B, PHE74A, PHE74B, PRO38A, PRO38B, PRO73A, PRO73B, PRO96A, PRO96B, SER72A, SER72B, SER78A, SER78B, THR121A, THR121B, THR20A, THR20B, THR68A, THR68B, THR9A, THR9B, TRP12A, TRP12B, TRP69A, TRP69B, TYR87A, TYR87B, VAL115A, VAL115B, VAL119A, VAL119B, VAL126A, VAL126B, VAL37A, VAL37B, VAL66A, VAL66B, VAL81A, VAL81B, VAL82A, VAL82B, VAL89A, VAL89B, VAL93A, VAL93B, VAL99A, VAL99B
• A-C: ALA104A, ALA131A, ALA179C, ALA21A, ALA280C, ARG105A, ARG172C, ARG181C, ARG204C, ASN279C, ASP106A, ASP107A, ASP201C, ASP309C, GLN177C, GLN210C, GLN28A, GLU100A, GLU124A, GLU185C, GLU22A, GLU27A, GLY176C, GLY26A, HIS175C, ILE95A, LEU102A, LEU117A, LEU129A, LEU207C, LEU208C, LEU24A, LEU25A, LEU98A, LYS127A, LYS130A, LYS132A, LYS184C, LYS305C, MET103A, MET23A, PRO133A, PRO214C, PRO310C, PRO96A, SER307C, THR101A, THR121A, THR180C, THR183C, THR202C, THR206C, THR209C, THR20A, THR308C, TRP182C, VAL134A, VAL178C, VAL203C, VAL211C, VAL306C, VAL99A
• B-C: ALA269C, ALA280C, ALA42B, ARG172C, ARG204C, ARG271C, ARG79B, ASN278C, ASN279C, ASN41B, ASN75B, ASP171C, ASP201C, ASP67B, GLN177C, GLN210C, GLN272C, GLN276C, GLU40B, GLU43B, GLY176C, GLY39B, GLY70B, GLY71B, HIS175C, ILE174C, LEU173C, LEU207C, LEU208C, LEU45B, LYS305C, MET268C, PHE270C, PHE36B, PHE74B, PRO38B, PRO73B, SER282C, SER72B, SER78B, THR44B, THR68B, TRP69B, VAL178C, VAL198C, VAL203C, VAL211C, VAL281C, VAL37B, VAL82B