2ZYK

crystal structure of cyclo/maltodextrin-binding protein complexed with gamma-cyclodextrin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 74
  • Norm. En. per Res.: -2.4629
• 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	-18.912	-17.002	-95.3242	-131.2382	74	3	0	4521	1	36	28
A-C	0.0	0.0	-53.504	-53.504	52	4	0	2561	0	8	8
A-D	-22.3641	-14.4373	-45.6114	-82.4128	60	1	0	2837	2	32	32
B-D	-6.0199	28.7158	-74.5936	-51.8977	58	5	0	3378	0	10	12
C-D	-46.1484	-14.9699	-121.133	-182.2513	74	13	0	5512	4	32	35

Interface residues

• A-B: ALA257A, ALA258A, ALA310A, ALA40A, ASN199B, ASN204B, ASN261A, ASN334A, ASN34A, ASN35A, ASN382B, ASP193B, ASP197B, ASP254A, ASP29A, ASP328A, ASP383B, GLN192B, GLN210B, GLN256A, GLN32A, GLN379B, GLN393B, GLN397B, GLU191B, GLU200B, GLU207B, GLU315A, GLU355B, GLU378B, GLU390B, GLU42A, GLY259A, GLY30A, GLY317A, GLY41A, ILE201B, ILE252A, ILE260A, ILE331A, ILE392B, LEU196B, LEU325A, LEU33A, LEU381B, LYS137A, LYS138A, LYS190B, LYS238A, LYS253A, LYS306A, LYS314A, LYS37A, LYS386B, LYS389B, LYS38A, LYS396B, LYS45A, MET330A, PHE313A, PRO198B, PRO206B, SER205B, SER311A, THR316A, THR44A, THR90B, TRP39A, TYR255A, VAL209B, VAL262A, VAL31A, VAL336A, VAL385B
• A-C: ALA145C, ALA265C, ALA288A, ALA71A, ASN261C, ASN327C, ASN333C, ASN334C, ASN338C, ASP274C, ASP328C, ASP68A, GLN142C, GLN256C, GLN393A, GLN397A, GLU149C, GLU361A, GLU390A, GLU63A, GLY141C, GLY263C, GLY69A, GLY72A, GLY92A, ILE331C, ILE387A, LEU65A, LEU67A, LEU93A, LYS137C, LYS269C, LYS314C, LYS332C, LYS342C, LYS346C, LYS391A, LYS64A, LYS91A, MET330C, PHE313C, PRO266C, PRO329C, PRO335C, PRO70A, THR394A, THR66A, TYR289A, VAL143C, VAL262C, VAL336C, VAL337C
• A-D: ALA182D, ALA183D, ALA186D, ALA187D, ALA27A, ALA71A, ASN34A, ASP148D, ASP193D, ASP271D, ASP274D, ASP28A, ASP29A, ASP68A, GLN192D, GLN210D, GLN276D, GLN50A, GLU191D, GLU207D, GLU52A, GLY185D, GLY194D, GLY202D, GLY272D, GLY30A, GLY347D, GLY41A, GLY72A, ILE270D, LEU196D, LEU33A, LEU67A, LYS113D, LYS17A, LYS184D, LYS190D, LYS20A, LYS269D, LYS273D, LYS291A, LYS346D, LYS37A, LYS64A, LYS73A, PHE189D, PRO18A, PRO206D, PRO55A, SER205D, SER345D, THR146D, THR195D, THR44A, TYR292A, VAL22A, VAL348D, VAL53A, VAL54A, VAL56A
• B-D: ALA145D, ALA265D, ALA275D, ALA288B, ALA71B, ASN327D, ASN333D, ASN334D, ASN338D, ASP274D, ASP328D, ASP68B, GLN142D, GLN343D, GLN393B, GLN397B, GLU149D, GLU361B, GLU390B, GLU63B, GLY141D, GLY272D, GLY69B, GLY72B, GLY74B, GLY92B, ILE331D, ILE387B, LEU67B, LEU93B, LYS137D, LYS269D, LYS273D, LYS291B, LYS332D, LYS342D, LYS346D, LYS386B, LYS389B, LYS391B, LYS396B, LYS73B, LYS91B, MET330D, MET395B, PRO144D, PRO266D, PRO268D, PRO329D, PRO335D, PRO70B, SER345D, THR146D, THR394B, THR66B, TYR289B, VAL143D, VAL336D
• C-D: ALA257C, ALA258C, ALA310C, ALA40C, ARG312C, ASN199D, ASN204D, ASN261C, ASN34C, ASN35C, ASN382D, ASP197D, ASP254C, ASP28C, ASP29C, GLN192D, GLN256C, GLN379D, GLN393D, GLN397D, GLN50C, GLU191D, GLU200D, GLU315C, GLU355D, GLU378D, GLU390D, GLU42C, GLU52C, GLY259C, GLY30C, GLY41C, ILE201D, ILE260C, ILE392D, ILE49C, LEU21C, LEU33C, LYS190D, LYS20C, LYS238C, LYS253C, LYS314C, LYS37C, LYS386D, LYS389D, LYS38C, LYS391D, LYS396D, LYS45C, MET330C, MET388D, MET395D, PHE313C, PHE43C, PRO198D, PRO206D, PRO354D, SER205D, SER311C, THR316C, THR36C, THR376D, THR394D, THR44C, THR90D, TRP39C, TYR117D, TYR255C, VAL209D, VAL31C, VAL385D, VAL51C, VAL53C