1QQD

crystal structure of hla-cw4, a ligand for the kir2d natural killer cell inhibitory receptor

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 81
  • Norm. En. per Res.: -5.2347
• 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	-30.3758	-110.4355	-315.475	-456.2862	120	15	2	11585	7	35	31
A-C	-81.511	-54.4223	-288.076	-424.0093	81	20	4	10333	3	18	22

Interface residues

• A-B: ALA117A, ALA125A, ALA15B, ALA236A, ALA24A, ARG12B, ARG202A, ARG21A, ARG234A, ARG35A, ARG3B, ARG48A, ARG6A, ARG97A, ARG97B, ASN114A, ASN21B, ASN24B, ASP119A, ASP122A, ASP238A, ASP30A, ASP34B, ASP37A, ASP53B, ASP59B, ASP96B, ASP98B, CYS25B, GLN115A, GLN242A, GLN2B, GLN32A, GLN87A, GLN8B, GLN96A, GLU232A, GLU46A, GLU50B, GLY120A, GLY207A, GLY237A, GLY239A, GLY26A, GLY29B, GLY58B, HIS13B, HIS188A, HIS191A, HIS192A, HIS31B, HIS51B, HIS93A, ILE124A, ILE1B, ILE23A, ILE7B, LEU206A, LEU230A, LEU54B, LEU64B, LEU65B, LEU95A, LYS121A, LYS186A, LYS243A, LYS6B, MET0B, MET98A, PHE116A, PHE22A, PHE22B, PHE241A, PHE30B, PHE36A, PHE56B, PHE62B, PHE8A, PHE99A, PRO14B, PRO235A, PRO32B, SER11A, SER11B, SER28B, SER33B, SER52B, SER55B, SER57B, SER61B, SER92A, SER9A, THR10A, THR190A, THR233A, THR240A, THR94A, TRP14A, TRP204A, TRP244A, TRP60B, TRP95B, TYR10B, TYR113A, TYR118A, TYR123A, TYR26B, TYR27A, TYR63B, TYR66B, TYR67B, TYR7A, TYR85A, VAL12A, VAL231A, VAL25A, VAL27B, VAL34A, VAL85B, VAL9B
• A-C: ALA117A, ALA139A, ALA140A, ALA24A, ALA5C, ALA71A, ALA73A, ARG156A, ARG157A, ARG170A, ARG62A, ARG69A, ARG79A, ARG97A, ASN114A, ASN77A, ASP3C, ASP4C, ASP74A, CYS164A, GLN144A, GLN155A, GLN1C, GLN65A, GLN70A, GLN72A, GLN96A, GLU152A, GLU166A, GLU55A, GLU63A, GLY100A, GLY26A, ILE124A, ILE142A, LEU160A, LEU168A, LEU78A, LEU81A, LEU95A, LEU9C, LYS146A, LYS66A, LYS68A, LYS80A, LYS8C, MET5A, MET98A, PHE116A, PHE22A, PHE33A, PHE36A, PHE8A, PHE99A, SER11A, SER9A, THR10A, THR143A, THR163A, THR64A, TRP133A, TRP147A, TRP167A, TRP60A, TYR118A, TYR123A, TYR159A, TYR171A, TYR2C, TYR59A, TYR67A, TYR7A, TYR7C, TYR84A, TYR85A, VAL165A, VAL25A, VAL34A, VAL52A, VAL6C, VAL76A