3T8X

crystal structure of human cd1b in complex with synthetic antigenic diacylsulfoglycolipid sgl12 and endogenous spacer

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -3.7117
• 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	-65.9415	-42.4343	-370.437	-478.8127	129	10	7	12830	3	28	21
A-C	0.0	0.0	-7.9031	-7.9031	19	2	0	750	0	5	5
A-D	0.0	-0.0738	-13.6426	-13.7164	22	0	0	849	0	10	8
B-D	0.0	0.0	-0.2988	-0.2988	4	0	0	35	0	2	2
C-D	-70.9278	-35.296	-363.51	-469.7338	129	11	8	12467	2	27	22

Interface residues

• A-B: ALA100A, ALA117A, ALA15B, ALA189A, ALA239A, ARG115A, ARG12B, ARG246A, ARG3B, ARG97B, ASN21B, ASN238A, ASN240A, ASN24B, ASP122A, ASP234A, ASP33A, ASP34A, ASP34B, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN14A, GLN203A, GLN25A, GLN27A, GLN2B, GLN36A, GLN8B, GLN97A, GLU136A, GLU188A, GLU50B, GLU95A, GLY116A, GLY119A, GLY120A, GLY194A, GLY210A, GLY233A, GLY28A, GLY30A, GLY39A, GLY98A, HIS11A, HIS13B, HIS207A, HIS31B, HIS38A, HIS51B, HIS84B, ILE13A, ILE1B, ILE235A, ILE48A, ILE7B, ILE96A, ILE99A, LEU114A, LEU118A, LEU121A, LEU124A, LEU191A, LEU204A, LEU236A, LEU245A, LEU35A, LEU50A, LEU54B, LEU64B, LEU65B, LYS214A, LYS58B, LYS6B, MET99B, PHE113A, PHE123A, PHE22B, PHE30B, PHE56B, PHE62B, PHE94A, PRO14B, PRO195A, PRO237A, PRO32B, PRO93A, SER11B, SER125A, SER134A, SER16A, SER17A, SER192A, SER193A, SER209A, SER28B, SER29A, SER33B, SER52B, SER55B, SER57B, SER61B, THR15A, THR242A, THR248A, THR26A, THR68B, TRP190A, TRP241A, TRP243A, TRP277A, TRP31A, TRP40A, TRP60B, TRP95B, TYR10B, TYR244A, TYR26B, TYR63B, TYR66B, TYR67B, VAL12A, VAL205A, VAL208A, VAL27B, VAL85B, VAL9B
• A-C: ALA141A, ALA257C, ARG140A, ARG278C, ASN279C, ASP282C, GLN142A, GLU136A, GLY137A, GLY138A, ILE281C, LEU121A, LEU191C, PRO135A, PRO280C, SER134A, SER139A, TRP277C, TYR276C
• A-D: ALA109A, ARG115A, ARG97D, ASN128A, ASN17D, ASP76D, GLU103A, GLU74D, GLY107A, GLY108A, GLY18D, HIS105A, ILE110A, LEU104A, LYS127A, LYS41D, LYS75D, SER106A, SER112A, THR71D, THR73D, VAL111A
• B-D: ASN17D, GLU16D, GLY18D, LYS58B
• C-D: ALA100C, ALA117C, ALA15D, ALA189C, ALA239C, ARG115C, ARG12D, ARG246C, ARG3D, ARG97D, ASN21D, ASN238C, ASN240C, ASN24D, ASP122C, ASP234C, ASP33C, ASP34C, ASP34D, ASP53D, ASP59D, ASP96D, ASP98D, CYS25D, GLN14C, GLN203C, GLN25C, GLN27C, GLN2D, GLN36C, GLN8D, GLN97C, GLU136C, GLU188C, GLU50D, GLU95C, GLY116C, GLY119C, GLY120C, GLY194C, GLY210C, GLY233C, GLY28C, GLY30C, GLY39C, GLY98C, HIS11C, HIS13D, HIS207C, HIS31D, HIS38C, HIS51D, HIS84D, ILE13C, ILE1D, ILE235C, ILE48C, ILE96C, ILE99C, LEU114C, LEU118C, LEU121C, LEU124C, LEU191C, LEU204C, LEU236C, LEU245C, LEU35C, LEU50C, LEU54D, LEU64D, LEU65D, LYS214C, LYS58D, LYS6D, MET99D, PHE113C, PHE123C, PHE22D, PHE30D, PHE56D, PHE62D, PHE94C, PRO14D, PRO195C, PRO237C, PRO32D, PRO93C, SER11D, SER125C, SER134C, SER16C, SER17C, SER192C, SER193C, SER209C, SER28D, SER29C, SER33D, SER52D, SER55D, SER57D, SER61D, THR15C, THR19C, THR242C, THR248C, THR26C, THR68D, TRP190C, TRP241C, TRP243C, TRP277C, TRP31C, TRP40C, TRP60D, TRP95D, TYR10D, TYR244C, TYR26D, TYR63D, TYR66D, TYR67D, VAL12C, VAL205C, VAL208C, VAL27D, VAL85D, VAL9D