3MA0

closed liganded crystal structure of xylose binding protein from escherichia coli

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 67
  • Norm. En. per Res.: -2.7399
• 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	-54.5848	9.4794	-138.468	-183.5734	67	11	0	5602	0	31	35
A-C	-14.4652	-11.1539	-151.915	-177.5341	77	6	0	6147	1	29	38
B-C	-49.6027	78.6624	-169.845	-140.7853	104	12	4	7211	0	18	26

Interface residues

• A-B: ALA266B, ALA40A, ALA8A, ARG13A, ARG21A, ARG280B, ARG57A, ASN271B, ASN272B, ASN41A, ASN53A, ASN56A, ASP10A, ASP11A, ASP154B, ASP22A, ASP267B, ASP276B, ASP97B, ASP99B, GLN18A, GLN262B, GLN38A, GLN50A, GLU111B, GLU263B, GLU29A, GLU304A, GLU306A, GLU52A, GLY273B, GLY42A, HIS309A, ILE98B, ILE9A, LEU12A, LEU14A, LEU270B, LEU274B, LEU281B, LYS147B, LYS150B, LYS265B, LYS26A, LYS275B, LYS303A, LYS34A, LYS4A, MET146B, MET54A, MET7A, PHE100B, PHE36A, PRO264B, PRO278B, SER279B, SER305A, SER39A, SER49A, THR268B, THR269B, THR46A, TRP17A, VAL25A, VAL277B, VAL35A, VAL37A
• A-C: ALA138C, ALA143C, ALA198A, ALA200A, ALA206A, ALA209A, ALA226A, ALA232A, ALA233A, ARG13A, ARG142C, ARG230A, ASN125C, ASN185C, ASN186C, ASP154C, ASP163C, ASP190C, GLN123C, GLN145C, GLN205A, GLN210A, GLN236A, GLU172A, GLY124C, GLY144C, GLY156C, GLY162C, GLY201A, GLY202A, GLY211A, GLY214A, GLY227A, GLY234A, HIS308A, HIS309A, HIS310A, HIS311A, HIS312A, HIS313A, ILE158C, ILE204A, ILE228A, ILE231A, LEU128C, LEU140C, LEU149C, LEU170A, LEU175A, LEU207A, LEU212A, LEU225A, LEU307A, LYS139C, LYS147C, LYS150C, LYS157C, LYS159C, LYS176A, LYS188C, LYS215A, LYS229A, MET146C, PRO122C, PRO151C, PRO171A, SER155C, SER208A, SER213A, THR235A, TRP165C, TYR126C, TYR152C, VAL121C, VAL153C, VAL160C, VAL161C
• B-C: ALA174B, ALA174C, ALA181B, ALA181C, ALA184B, ALA184C, ALA206C, ALA96B, ALA96C, ASN173B, ASN173C, ASN180B, ASN180C, ASN185B, ASN185C, ASN186B, ASN186C, ASN187B, ASN187C, ASN272B, ASN272C, ASN43B, ASN43C, ASN68B, ASN68C, ASN74B, ASN74C, ASN94B, ASN94C, ASP163B, ASP163C, ASP167B, ASP167C, ASP95B, ASP95C, ASP97B, ASP97C, GLN164B, GLN164C, GLN210B, GLN210C, GLN70B, GLN70C, GLU172B, GLU172C, GLU179B, GLU179C, GLU44B, GLU44C, GLU45B, GLU45C, GLU78B, GLU78C, GLY162B, GLY162C, GLY273B, GLY273C, GLY69B, GLY69C, ILE177B, ILE177C, LEU170B, LEU170C, LEU175B, LEU175C, LEU182B, LEU182C, LEU274B, LEU274C, LEU72B, LEU72C, LYS139B, LYS176B, LYS176C, LYS77B, LYS77C, MET178B, MET178C, MET48B, MET48C, PHE127B, PHE127C, PRO133B, PRO133C, SER73B, SER73C, THR183B, THR183C, TRP165B, TRP165C, TYR67B, TYR67C, VAL134B, VAL134C, VAL161B, VAL161C, VAL166B, VAL166C, VAL71B, VAL71C, VAL75B, VAL75C, VAL76B, VAL76C