3FCY

crystal structure of acetyl xylan esterase 1 from thermoanaerobacterium sp. jw/sl ys485

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 50
  • Norm. En. per Res.: -3.9159
• 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	-71.2285	0.0	-270.004	-341.2325	103	7	0	10026	0	24	16
A-C	-25.1648	-44.0224	-126.609	-195.7963	50	3	0	4596	6	19	20
B-C	-83.9965	56.2944	-263.791	-291.4932	100	13	12	9064	0	16	27

Interface residues

• A-B: ALA223A, ALA223B, ALA67A, ALA67B, ARG117A, ARG117B, ARG140A, ARG140B, ARG232A, ARG232B, ARG240A, ARG240B, ARG68A, ARG68B, ASN132A, ASN132B, ASN135A, ASN135B, ASN94A, ASN94B, ASP115A, ASP115B, ASP125A, ASP125B, ASP143A, ASP143B, ASP144A, ASP144B, ASP229A, ASP229B, GLN119A, GLN119B, GLN122A, GLN122B, GLN124A, GLN124B, GLN183A, GLN183B, GLN225A, GLU226A, GLU226B, GLY118A, GLY118B, GLY120A, GLY120B, GLY121A, GLY121B, GLY127A, GLY127B, GLY128A, GLY128B, GLY131A, GLY131B, GLY136A, GLY136B, GLY90A, GLY90B, GLY96A, GLY96B, HIS137A, HIS137B, HIS89A, HIS89B, ILE138A, ILE138B, ILE139A, ILE139B, ILE154A, ILE154B, LEU134A, LEU134B, LEU150A, LEU150B, LEU233A, LEU233B, PHE151A, PHE151B, PHE207A, PHE207B, PHE234A, PHE234B, PRO236A, PRO236B, SER123A, SER123B, SER92A, SER92B, SER93A, SER93B, THR130A, THR130B, THR133A, THR133B, TYR230A, TYR230B, TYR91A, TYR91B, VAL116A, VAL116B, VAL126A, VAL126B, VAL129A, VAL129B
• A-C: ALA220A, ARG232A, ARG237A, ARG305C, ASP218A, ASP229A, ASP235A, ASP298C, ASP309C, ASP5C, CYS267C, GLN225A, GLN273C, GLN9C, GLU239A, GLU241A, GLU302C, GLY269C, GLY300C, GLY306C, HIS238A, HIS301C, ILE227A, ILE293C, LEU217A, LEU219A, LEU233A, LEU265C, LEU270C, LEU310C, LEU8C, LYS221A, LYS294C, MET271C, MET304C, PHE231A, PHE234A, PHE245A, PHE307C, PHE4C, PRO236A, PRO297C, PRO303C, THR228A, TRP215A, TYR230A, TYR296C, TYR299C, VAL268C, VAL295C
• B-C: ALA106B, ALA106C, ALA107B, ALA107C, ALA311B, ALA311C, ALA54B, ALA54C, ARG305B, ARG305C, ARG87B, ARG87C, ASN103B, ASN103C, ASN94B, ASN94C, ASN99B, ASN99C, ASP100B, ASP100C, ASP309B, ASP309C, ASP97B, ASP97C, CYS56B, CYS56C, GLN313B, GLN313C, GLN50B, GLN50C, GLY108B, GLY108C, GLY120B, GLY120C, GLY121B, GLY121C, GLY306B, GLY306C, GLY308B, GLY308C, GLY90B, GLY90C, GLY96B, GLY96C, HIS89B, HIS89C, ILE74B, LEU102B, LEU102C, LEU310B, LEU310C, LEU316B, LEU316C, LYS101B, LYS101C, LYS72B, LYS72C, MET179B, MET179C, MET304B, MET304C, MET312B, MET312C, PHE109B, PHE109C, PHE307B, PHE307C, PHE314B, PHE314C, PHE49B, PHE49C, PHE53B, PHE53C, PRO76B, PRO76C, SER47B, SER48B, SER48C, SER52B, SER52C, SER92B, SER92C, SER93B, SER93C, SER95B, SER95C, TRP98B, TRP98C, TYR104B, TYR104C, TYR299B, TYR299C, TYR319B, TYR319C, TYR91B, TYR91C, VAL105B, VAL105C, VAL51B, VAL51C