3RAJ

crystal structure of human cd38 in complex with the fab fragment of antibody hb7

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 176
  • Norm. En. per Res.: -2.6179
• 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-H	-22.6315	0.0	-76.6692	-99.3007	43	4	0	3194	0	6	3
A-L	0.0	-5.5354	-68.3877	-73.9231	31	4	0	2619	0	4	4
H-L	-29.9675	-32.0056	-398.778	-460.7511	176	18	12	16377	4	9	10

Interface residues

• A-H: ALA106H, ALA240A, ARG54H, ASN270A, ASN277A, ASN74H, ASP252A, ASP59H, CYS254A, CYS275A, GLN236A, GLN255A, GLN272A, GLU239A, GLU263A, GLY104H, GLY55H, HIS36H, ILE101H, ILE259A, ILE266A, ILE271A, ILE31H, LEU100H, LEU238A, LEU30H, LYS260A, LYS276A, PHE273A, SER264A, SER267A, SER274A, SER29H, SER32H, SER57H, THR102H, THR103H, THR237A, THR99H, TRP53H, TYR105H, TYR33H, VAL203A
• A-L: ALA50L, ARG269A, ARG31L, ASN270A, ASN30L, ASP202A, ASP27L, CYS201A, GLN231A, GLN236A, GLN272A, GLU233A, GLY49L, ILE266A, ILE271A, ILE28L, LEU238A, LEU32L, LYS234A, PRO232A, SER267A, SER48L, SER52L, SER92L, THR237A, THR51L, TRP91L, TYR29L, TYR90L, VAL203A, VAL235A
• H-L: ALA106H, ALA128L, ALA132H, ALA136H, ALA175H, ALA33L, ALA42L, ALA50L, ALA62H, ALA63H, ALA97H, ARG220H, ARG31L, ARG39H, ARG44L, ASN135L, ASN136L, ASN159L, ASN208L, ASN41L, ASN61H, ASP108H, ASP163L, ASP165L, ASP168L, ASP59H, CYS132L, CYS147H, CYS87L, CYS96H, GLN112H, GLN122L, GLN178H, GLN37L, GLN40H, GLN5L, GLN7H, GLN88L, GLN89L, GLU121L, GLU218H, GLU47H, GLU54L, GLY104H, GLY111H, GLY113H, GLY126L, GLY127L, GLY134H, GLY146H, GLY169H, GLY40L, GLY45H, GLY49L, GLY50H, GLY97L, GLY98L, GLY99L, HIS171H, HIS36H, ILE101H, ILE115L, ILE217H, ILE47L, ILE93H, LEU100H, LEU123L, LEU131H, LEU134L, LEU145H, LEU148H, LEU158L, LEU177H, LEU177L, LEU179L, LEU181H, LEU184H, LEU32L, LEU45L, LEU46H, LEU46L, LEU49H, LEU53L, LYS150H, LYS167L, LYS215H, LYS216H, LYS44H, LYS98H, MET107H, MET142H, MET173L, PHE116L, PHE133L, PHE137L, PHE173H, PHE207L, PHE95H, PHE96L, PRO117L, PRO118L, PRO130H, PRO133H, PRO174H, PRO39L, PRO42H, PRO43L, PRO94L, SER114L, SER119L, SER120L, SER125L, SER127H, SER129L, SER135H, SER160L, SER166L, SER167H, SER168H, SER169L, SER172L, SER174L, SER175L, SER179H, SER185H, SER186H, SER187H, SER48L, SER52L, SER92L, THR112L, THR124L, THR144H, THR162L, THR170L, THR172H, THR176L, THR178L, THR183H, THR189H, THR55L, THR84L, THR93L, THR95L, THR99H, TRP110H, TRP161H, TRP161L, TRP34L, TRP37H, TRP48H, TRP53H, TRP91L, TYR105H, TYR109H, TYR129H, TYR171L, TYR184L, TYR35L, TYR60H, TYR85L, TYR86L, TYR90L, VAL113L, VAL128H, VAL130L, VAL131L, VAL143H, VAL149H, VAL157L, VAL170H, VAL176H, VAL188H, VAL190H, VAL38H, VAL51H