2CEX

structure of a sialic acid binding protein (siap) in the presence of the sialic acid acid analogue neu5ac2en

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 66
  • Norm. En. per Res.: -1.7439
• Hub Node: A(3)

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	0.0	-0.9371	-0.9371	14	0	0	130	0	9	9
A-C	0.0	0.0	-2.2062	-2.2062	29	0	0	314	0	5	3
A-D	0.0	-8.5938	-14.7522	-23.346	29	0	0	727	0	22	25
B-C	-6.3191	2.5235	-111.302	-115.0976	66	16	0	5278	7	27	32
C-D	-17.7312	-20.2084	-103.483	-141.4226	83	4	1	4503	4	28	32

Interface residues

• A-B: ALA169A, ARG50A, ARG70A, ASN150A, ASP48A, GLU172A, GLU221B, GLU225B, LEU73A, LYS54A, LYS54B, PHE170A, SER171A, SER60B
• A-C: ALA194A, ASN305C, ASP99C, GLN178A, GLN195A, GLN45A, GLU101C, GLU172A, GLU199A, GLU277C, GLU295C, GLU302C, ILE301C, LEU175A, LEU298C, LYS108C, LYS196A, LYS280C, LYS288C, LYS299C, PHE170A, PRO42A, SER14A, SER171A, SER43A, THR100C, THR13A, TYR174A, VAL287C
• A-D: ALA20A, ALA241A, ASN240A, ASP229D, ASP251A, ASP255A, GLN193A, GLN33D, GLU22A, GLU22D, GLU30D, GLY252A, GLY34D, LEU248A, LYS19A, LYS19D, LYS232D, LYS247A, LYS262A, LYS26A, LYS26D, LYS29D, LYS31D, LYS35D, MET23A, PHE259A, SER14A, SER32D, TYR244A
• B-C: ALA151B, ALA152B, ALA284B, ALA284C, ALA51B, ALA51C, ARG50B, ARG50C, ARG70B, ARG70C, ASN150B, ASN150C, ASP113B, ASP113C, ASP48B, ASP48C, ASP49C, ASP58B, ASP58C, GLN289B, GLN289C, GLN292B, GLN292C, GLN72B, GLN72C, GLU285B, GLU285C, GLU295B, GLU77B, GLU77C, GLY291B, GLY291C, GLY294B, GLY294C, LEU114B, LEU114C, LEU155B, LEU53C, LEU73B, LEU73C, LYS109B, LYS109C, LYS112C, LYS159B, LYS288B, LYS288C, LYS293B, LYS293C, LYS54B, LYS54C, LYS57B, LYS57C, PHE286B, PHE286C, PHE71B, PHE71C, PHE74B, PHE74C, PRO76B, PRO76C, THR290B, THR290C, TYR75B, TYR75C, VAL287B, VAL287C
• C-D: ALA134C, ALA134D, ALA205C, ALA303C, ASN136C, ASN136D, ASN208C, ASN208D, ASN240D, ASN305C, ASN305D, ASN89C, ASN89D, ASN91C, ASN91D, ASP251C, ASP251D, ASP255C, ASP255D, ASP271C, ASP271D, ASP99D, GLU261C, GLU261D, GLY264C, GLY264D, HIS269C, HIS269D, ILE135C, ILE135D, ILE267C, ILE267D, ILE304C, ILE304D, LEU204D, LEU256C, LEU256D, LEU272C, LEU272D, LYS243C, LYS243D, LYS247C, LYS247D, LYS254C, LYS254D, LYS262C, LYS262D, LYS266C, LYS266D, LYS95C, LYS95D, MET206C, MET206D, PHE203C, PHE259C, PHE259D, PHE260C, PHE260D, PRO270C, PRO270D, PRO274C, PRO274D, SER137C, SER137D, SER88C, SER88D, THR258C, THR258D, THR268C, THR268D, TYR244C, TYR244D, TYR90C, VAL250C, VAL250D, VAL257C, VAL257D, VAL265C, VAL265D, VAL273C, VAL273D, VAL92C, VAL92D