3BK3

crystal structure of the complex of bmp-2 and the first von willebrand domain type c of crossveinless-2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 63
  • Norm. En. per Res.: -3.5233
• 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	-34.7648	-18.2324	488.63	435.6328	132	10	15	12751	0	14	24
A-C	-32.6711	-3.4954	-168.549	-204.7156	63	6	8	7462	0	8	8
A-D	-2.3217	0.0	-36.6986	-39.0203	19	0	3	1495	0	0	0
B-C	-12.694	0.0	-31.9062	-44.6002	20	1	2	1415	0	0	0
B-D	-33.5421	-5.2887	-183.138	-221.9689	63	6	8	7668	0	8	7

Interface residues

• A-B: ALA40A, ALA40B, ALA61A, ALA61B, ALA77A, ALA77B, ALA86A, ALA86B, ARG114A, ARG114B, ARG16A, ARG16B, ASN102A, ASN102B, ASN56A, ASN59A, ASN59B, ASN68A, ASN68B, ASN71A, ASN71B, ASP105A, ASP105B, ASP22A, ASP22B, ASP25A, ASP25B, CYS111B, CYS113A, CYS113B, CYS43A, CYS43B, CYS47A, CYS78A, CYS78B, CYS79A, CYS79B, GLN104A, GLN104B, GLN64A, GLN64B, GLU109A, GLY112A, GLY112B, GLY27A, GLY27B, GLY45A, GLY45B, HIS17A, HIS17B, HIS39A, HIS39B, HIS44A, HIS44B, HIS60A, HIS60B, ILE32A, ILE32B, ILE62A, ILE62B, ILE74A, ILE74B, ILE87A, ILE87B, LEU19A, LEU19B, LEU51A, LEU51B, LEU66A, LEU66B, LEU84A, LEU84B, LYS73A, LYS73B, LYS76A, LYS76B, MET106A, MET106B, MET41A, MET41B, MET89A, MET89B, PHE23A, PHE23B, PHE49A, PHE49B, PRO18A, PRO18B, PRO75A, PRO75B, PRO81A, PRO81B, SER57A, SER57B, SER69A, SER69B, SER85A, SER85B, THR58A, THR58B, THR65A, THR65B, THR82A, THR82B, TRP28A, TRP28B, TRP31A, TRP31B, TYR103A, TYR103B, TYR20A, TYR20B, TYR38A, TYR38B, TYR42A, TYR42B, VAL107A, VAL107B, VAL108A, VAL108B, VAL21A, VAL21B, VAL26A, VAL26B, VAL63A, VAL63B, VAL67A, VAL67B, VAL70A, VAL70B, VAL80A, VAL80B
• A-C: ALA34A, ALA36C, ALA7C, ASN102A, ASN20C, ASN24C, ASP105A, ASP23C, ASP30A, ASP93A, CYS26C, CYS29C, CYS38C, CYS9C, GLN104A, GLN40C, GLU37C, GLU6C, GLU94A, GLU96A, GLY27A, GLY37A, GLY4C, HIS39A, ILE18C, ILE21C, ILE27C, ILE2C, ILE32A, ILE87A, LEU100A, LEU16C, LEU1C, LEU90A, LEU92A, LYS101A, LYS35C, LYS39C, LYS97A, MET106A, MET89A, MET91A, PHE23A, PRO19C, PRO35A, PRO36A, SER28C, SER88A, SER8C, THR22C, THR3C, THR5C, TRP-1C, TRP28A, TRP31A, TYR103A, TYR20A, TYR38A, VAL26A, VAL30C, VAL33A, VAL98A, VAL99A
• A-D: ALA61A, ASN59A, GLN64A, GLY4D, HIS60A, ILE2D, ILE62A, LEU1D, LEU51A, LEU66A, PHE49A, PRO50A, SER57A, THR3D, THR58A, THR5D, THR65A, TRP-1D, VAL63A
• B-C: ALA61B, ASN59B, ASP53B, GLN64B, GLY4C, HIS60B, ILE2C, ILE62B, LEU1C, LEU51B, LEU66B, PHE49B, PRO50B, SER57B, THR3C, THR58B, THR5C, THR65B, TRP-1C, VAL63B
• B-D: ALA34B, ALA36D, ALA7D, ALA86B, ASN102B, ASN20D, ASN24D, ASP105B, ASP23D, ASP30B, ASP93B, CYS29D, CYS38D, CYS9D, GLN104B, GLN40D, GLU37D, GLU6D, GLU94B, GLU96B, GLY27B, GLY37B, GLY4D, HIS39B, ILE18D, ILE21D, ILE27D, ILE2D, ILE32B, ILE87B, LEU100B, LEU16D, LEU1D, LEU90B, LEU92B, LYS101B, LYS35D, LYS39D, LYS97B, MET106B, MET89B, MET91B, PHE23B, PRO19D, PRO35B, PRO36B, SER28D, SER88B, SER8D, THR22D, THR3D, THR5D, TRP-1D, TRP28B, TRP31B, TYR103B, TYR20B, TYR38B, VAL26B, VAL30D, VAL33B, VAL98B, VAL99B