2QJ9

crystal structure analysis of bmp-2 in complex with bmpr-ia variant b1

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 86
  • Norm. En. per Res.: -3.9123
• Hub Node: B(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
B-A	-35.4279	-15.5662	421.233	370.2389	130	15	16	12536	0	16	23
B-D	-63.0939	-22.3218	-251.045	-336.4607	86	7	4	9119	2	21	18
B-C	0.0	1.5156	-87.6158	-86.1002	44	3	0	3308	1	14	12
A-D	0.0	-13.5621	-86.9243	-100.4864	39	2	0	3142	2	11	8
A-C	-57.6587	-24.524	-210.9	-293.0826	80	11	3	8209	1	21	18

Interface residues

• B-A: ALA40A, ALA40B, ALA61A, ALA61B, ALA77A, ALA77B, ALA86A, ALA86B, ARG114A, ARG114B, ARG16A, ARG16B, ASN102A, ASN102B, ASN59A, ASN59B, ASN68A, ASN68B, ASN71A, ASN71B, ASP105A, ASP105B, ASP22A, ASP22B, ASP25A, ASP25B, CYS111A, CYS113A, CYS113B, CYS43A, CYS43B, CYS47B, CYS78A, CYS78B, CYS79A, CYS79B, GLN104A, GLN104B, GLN64A, GLN64B, GLY112A, GLY112B, GLY27A, GLY27B, GLY45A, GLY45B, HIS17A, HIS17B, HIS39A, HIS39B, HIS44A, HIS44B, HIS60A, HIS60B, ILE32A, ILE32B, ILE62A, ILE62B, ILE74A, ILE74B, ILE87A, ILE87B, LEU19A, LEU19B, LEU66A, LEU66B, LEU84A, LEU84B, LYS101A, LYS101B, LYS73A, LYS73B, LYS76A, LYS76B, MET106A, MET106B, MET89A, MET89B, PHE23A, PHE23B, PHE41A, PHE41B, 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
• B-D: ALA48D, ALA52B, ALA61B, ALA61D, ALA74D, ARG114B, ARG16B, ARG88D, ARG97D, ASN56B, ASN56D, ASN59B, ASN68B, ASN71B, ASP46D, ASP47D, ASP53B, ASP67D, ASP84D, ASP89D, CYS101D, CYS113B, CYS14B, CYS38D, CYS40D, CYS44D, CYS47B, CYS53D, CYS59D, CYS77D, CYS87D, GLN86D, GLN95D, GLU100D, GLU64D, GLU81D, GLY42D, GLY57D, GLY76D, GLY82D, HIS43D, HIS54B, HIS58D, HIS60B, HIS94D, ILE54D, ILE62B, ILE62D, ILE63D, ILE74B, ILE92D, ILE99D, LEU36D, LEU51B, LEU55B, LEU66B, LYS15B, LYS73B, LYS76B, LYS79D, MET78D, PHE49B, PHE60D, PHE85D, PRO34D, PRO45D, PRO48B, PRO50B, PRO91D, PRO93D, SER12B, SER13B, SER57B, SER69B, SER72B, SER75D, SER83D, SER98D, THR55D, THR58B, THR65B, THR90D, TYR80D, VAL63B, VAL67B, VAL70B
• B-C: ARG103C, ARG88C, ARG97C, ASN102B, ASN29B, ASN95B, ASP105B, ASP25B, ASP30B, ASP84C, ASP89C, ASP93B, CYS87C, GLN104B, GLN86C, GLU81C, GLU94B, GLU96B, GLY27B, GLY82C, HIS58C, ILE32B, ILE87B, ILE92C, LEU92B, LYS101B, LYS97B, MET106B, MET89B, PHE23B, PHE85C, PRO91C, PRO93C, SER24B, SER83C, THR90C, TRP28B, TRP31B, TYR103B, TYR38B, TYR80C, TYR91B, VAL21B, VAL26B
• A-D: ARG103D, ARG88D, ARG97D, ASN102A, ASN29A, ASP105A, ASP25A, ASP30A, ASP84D, ASP89D, ASP93A, GLN104A, GLN86D, GLU81D, GLU94A, GLY27A, GLY82D, HIS58D, ILE32A, ILE87A, ILE92D, LEU92A, LYS101A, MET106A, MET89A, PHE23A, PHE85D, PRO91D, SER24A, SER83D, THR90D, TRP28A, TRP31A, TYR103A, TYR38A, TYR80D, TYR91A, VAL21A, VAL26A
• A-C: ALA48C, ALA52A, ALA61C, ALA74C, ARG114A, ARG16A, ARG88C, ARG97C, ASN56A, ASN56C, ASN59A, ASN68A, ASN71A, ASP46C, ASP47C, ASP53A, ASP84C, ASP89C, CYS101C, CYS14A, CYS40C, CYS44C, CYS47A, CYS53C, CYS77C, CYS87C, GLN86C, GLN95C, GLU100C, GLU46A, GLU64C, GLU81C, GLY42C, GLY57C, GLY76C, GLY82C, HIS43C, HIS54A, HIS58C, HIS60A, HIS94C, ILE54C, ILE62A, ILE62C, ILE63C, ILE74A, ILE92C, ILE99C, LEU51A, LEU55A, LEU66A, LYS15A, LYS73A, LYS79C, MET78C, PHE49A, PHE60C, PHE85C, PRO34C, PRO45C, PRO48A, PRO50A, PRO91C, PRO93C, SER12A, SER13A, SER57A, SER69A, SER72A, SER75C, SER83C, SER98C, THR55C, THR58A, THR65A, THR90C, TYR80C, VAL63A, VAL67A, VAL70A