2Q7Y

structure of the endogenous inkt cell ligand igb3 bound to mcd1d

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 131
  • Norm. En. per Res.: -3.4658
• 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	-25.6805	-63.2701	-354.072	-443.0226	133	10	6	12246	3	29	23
A-C	-11.533	-11.2202	-77.5445	-100.2977	60	4	0	3618	0	9	9
B-C	0.0	3.3655	-18.7983	-15.4328	29	1	0	964	0	8	11
B-D	0.0	0.0	-2.0563	-2.0563	8	0	0	233	0	4	5
C-D	-35.3897	-52.3644	-366.272	-454.0262	131	14	6	12333	2	29	22

Interface residues

• A-B: ALA102A, ALA119A, ALA191A, ALA19A, ALA241A, ALA66B, ARG11A, ARG127A, ARG12B, ARG25A, ARG39A, ARG97B, ASN21B, ASN240A, ASN24B, ASP236A, ASP242A, ASP27A, ASP34A, ASP53B, ASP59B, ASP96B, ASP98B, CYS12A, CYS25B, GLN121A, GLN14A, GLN205A, GLN248A, GLN29B, GLN2B, GLN36A, GLN8B, GLN99A, GLU105A, GLU16B, GLU187A, GLU243A, GLU50B, GLU97A, GLY122A, GLY212A, GLY235A, HIS117A, HIS13B, HIS209A, HIS31B, HIS34B, HIS38A, HIS67B, ILE22B, ILE64B, ILE7B, ILE96A, ILE98A, LEU100A, LEU116A, LEU13A, LEU193A, LEU238A, LEU23B, LEU247A, LEU277A, LEU65B, LYS123A, LYS185A, LYS188A, LYS216A, LYS3B, LYS58B, MET15A, MET51B, MET54B, MET99B, PHE115A, PHE120A, PHE213A, PHE237A, PHE30B, PHE56B, PHE62B, PRO14B, PRO15B, PRO189A, PRO197A, PRO239A, PRO32B, PRO33B, PRO95A, SER101A, SER11B, SER16A, SER17A, SER194A, SER195A, SER211A, SER28A, SER41A, SER48A, SER52B, SER55B, SER57B, SER61B, THR244A, THR28B, THR50A, THR68B, THR9A, TRP192A, TRP23A, TRP245A, TRP31A, TRP40A, TRP60B, TRP95B, TYR10B, TYR124A, TYR214A, TYR246A, TYR26B, TYR63B, VAL118A, VAL125A, VAL126A, VAL136A, VAL190A, VAL196A, VAL207A, VAL210A, VAL27B, VAL29A, VAL30A, VAL9B
• A-C: ALA139C, ALA152C, ALA241A, ALA45A, ARG127C, ARG25A, ARG39A, ASN151C, ASN240A, ASN60A, ASP144C, ASP182A, ASP242A, ASP43A, GLN134C, GLN154C, GLN36A, GLN55A, GLN67A, GLU187A, GLU243A, GLU64A, GLY130C, GLY138C, HIS38A, ILE147C, ILE47A, LEU143C, LEU145C, LEU35A, LYS123C, LYS148C, LYS185A, LYS51A, LYS91C, MET88C, PHE49A, PRO137C, PRO140C, PRO146C, PRO52A, SER132C, SER141C, SER41A, SER44A, SER48A, SER54A, THR131C, THR135C, THR244A, THR46A, THR50A, TRP129C, TRP133C, TRP142C, TRP40A, TRP53A, TRP63A, VAL136C, VAL149C
• B-C: ALA139C, ARG12B, ASN21B, ASP144C, ASP53B, GLN121C, GLU50B, GLU69B, GLU92C, GLY122C, GLY138C, HIS13B, HIS67B, ILE22B, LEU143C, LEU65B, LYS123C, LYS48B, LYS91C, MET51B, PHE120C, PRO140C, PRO20B, PRO47B, PRO95C, SER141C, SER52B, TRP142C, VAL49B
• B-D: GLN2D, GLU69B, LYS19B, LYS3D, LYS48B, PRO20B, THR4D, THR71B
• C-D: ALA102C, ALA119C, ALA191C, ALA19C, ALA241C, ALA66D, ARG11C, ARG127C, ARG12D, ARG25C, ARG39C, ARG97D, ASN21D, ASN240C, ASN24D, ASP236C, ASP242C, ASP27C, ASP34C, ASP53D, ASP59D, ASP96D, ASP98D, CYS12C, CYS25D, GLN121C, GLN14C, GLN205C, GLN248C, GLN2D, GLN36C, GLN8D, GLN99C, GLU105C, GLU16D, GLU187C, GLU243C, GLU50D, GLU97C, GLY122C, GLY212C, GLY235C, HIS117C, HIS13D, HIS209C, HIS31D, HIS34D, HIS38C, HIS67D, ILE22D, ILE64D, ILE7D, ILE96C, ILE98C, LEU100C, LEU116C, LEU13C, LEU193C, LEU238C, LEU23D, LEU247C, LEU277C, LEU65D, LYS123C, LYS188C, LYS216C, LYS3D, LYS58D, MET15C, MET51D, MET54D, MET99D, PHE115C, PHE120C, PHE18C, PHE213C, PHE237C, PHE30D, PHE56D, PHE62D, PRO14D, PRO15D, PRO189C, PRO197C, PRO239C, PRO32D, PRO33D, PRO95C, SER101C, SER11D, SER16C, SER17C, SER194C, SER195C, SER211C, SER28C, SER41C, SER48C, SER52D, SER55D, SER57D, SER61D, THR244C, THR28D, THR50C, THR68D, THR9C, TRP192C, TRP23C, TRP245C, TRP31C, TRP40C, TRP60D, TRP95D, TYR10D, TYR124C, TYR214C, TYR246C, TYR26D, TYR63D, VAL118C, VAL125C, VAL126C, VAL190C, VAL196C, VAL207C, VAL210C, VAL27D, VAL29C, VAL30C, VAL9D