3H42

crystal structure of pcsk9 in complex with fab from ldlr competitive antibody

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 128
  • Norm. En. per Res.: -4.3394
• 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	-132.5938	-33.5323	-389.322	-555.448	128	17	17	14968	3	19	15
A-L	0.0	0.0	-1.433	-1.433	6	0	0	161	0	2	1
A-H	0.0	0.0	-40.5371	-40.5371	18	1	2	1302	0	0	0
B-L	0.0	0.0	-19.8619	-19.8619	27	3	0	964	0	2	3
B-H	-57.9449	6.1269	-275.563	-327.3811	104	15	3	10588	0	13	13
L-H	-64.7062	-41.585	-420.655	-526.9461	179	11	14	16338	3	22	22

Interface residues

• A-B: ALA151A, ALA290B, ALA299B, ALA300B, ALA305B, ALA307B, ALA314B, ALA315B, ALA328B, ALA338B, ALA388B, ALA389B, ALA62A, ALA68A, ARG215B, ARG272B, ARG295B, ARG303B, ARG306B, ARG66A, ARG73A, ASN207B, ASN254B, ASN298B, ASN317B, ASN354B, ASP141A, ASP146A, ASP186B, ASP320B, ASP321B, CYS301B, CYS67A, GLN152A, GLN256B, GLN275B, GLN302B, GLN382B, GLN387B, GLU144A, GLU145A, GLU269B, GLU84A, GLU85A, GLY117A, GLY121A, GLY227B, GLY257B, GLY259B, GLY263B, GLY267B, GLY291B, GLY292B, GLY316B, GLY352B, GLY384B, HIS113A, HIS116A, HIS226B, HIS65A, ILE143A, ILE266B, ILE271B, LEU112A, LEU118A, LEU119A, LEU123A, LEU185B, LEU230B, LEU253B, LEU265B, LEU268B, LEU276B, LEU287B, LEU289B, LEU297B, LEU304B, LEU311B, LEU324B, LEU348B, LEU74A, LEU88A, LYS258B, LYS273B, LYS69A, PHE115A, PHE122A, PHE150A, PHE205B, PHE270B, PHE318B, PHE64A, PRO120A, PRO209B, PRO288B, PRO327B, PRO71A, SER147A, SER148A, SER262B, SER294B, SER326B, SER383B, SER386B, THR187B, THR260B, THR264B, THR313B, THR353B, THR385B, THR61A, THR63A, THR77A, TRP72A, TYR142A, TYR293B, TYR325B, TYR78A, VAL114A, VAL124A, VAL149A, VAL252B, VAL261B, VAL296B, VAL309B, VAL79A, VAL80A, VAL81A
• A-L: ALA31L, ASP70A, GLY32L, PRO71A, TRP72A, TYR33L
• A-H: ALA105H, ALA151A, ASP101H, GLN152A, LYS69A, PHE102H, PHE150A, PRO71A, SER104H, SER148A, SER31H, TRP103H, TRP72A, TYR100H, TYR106H, TYR107H, TYR57H, VAL149A
• B-L: ARG215B, ARG319B, ARG56L, ASN55L, ASP212B, ASP34L, ASP94L, GLY349B, GLY52L, GLY99L, HIS36L, ILE50L, LEU351B, LEU48L, LEU97L, PRO57L, SER100L, SER51L, SER58L, SER95L, SER96L, SER98L, THR214B, THR350B, TYR33L, TYR38L, TYR93L
• B-H: ALA105H, ALA109H, ALA220B, ALA290B, ALA75H, ARG215B, ARG218B, ARG319B, ARG72H, ARG98H, ASN254B, ASN317B, ASN74H, ASN77H, ASP101H, ASP108H, ASP111H, ASP212B, ASP224B, ASP367B, ASP374B, ASP73H, ASP99H, CYS223B, CYS255B, CYS378B, GLN219B, GLN256B, GLN382B, GLN387B, GLU211B, GLU366B, GLY213B, GLY227B, GLY257B, GLY259B, GLY291B, GLY316B, GLY349B, GLY352B, GLY365B, GLY384B, GLY66H, HIS217B, HIS226B, HIS229B, ILE368B, ILE369B, ILE51H, ILE58H, ILE70H, LEU253B, LEU348B, LEU351B, LYS222B, LYS258B, LYS65H, LYS76H, PHE102H, PHE110H, PHE216B, PHE27H, PHE29H, PHE318B, PHE379B, SER104H, SER221B, SER225B, SER30H, SER31H, SER33H, SER372B, SER373B, SER381B, SER383B, SER386B, SER50H, SER52H, SER53H, SER54H, SER55H, SER56H, SER59H, SER71H, THR187B, THR214B, THR28H, THR347B, THR350B, THR353B, THR385B, THR69H, TRP103H, TRP47H, TYR100H, TYR106H, TYR107H, TYR325B, TYR32H, TYR57H, TYR60H, VAL112H, VAL346B, VAL380B
• L-H: ALA105H, ALA109H, ALA132L, ALA135H, ALA135L, ALA146H, ALA147H, ALA178H, ALA178L, ALA179L, ALA212L, ALA45L, ALA61H, ALA97H, ARG38H, ARG98H, ASN133L, ASN174L, ASN35H, ASN53L, ASN55L, ASP108H, ASP111H, ASP143L, ASP154H, ASP34L, ASP62H, ASP87L, ASP94L, ASP99H, CYS139L, CYS150H, CYS90L, CYS96H, GLN115H, GLN131L, GLN172L, GLN181H, GLN39H, GLN39L, GLN40L, GLN91L, GLU128L, GLU129L, GLU165L, GLU1L, GLU46H, GLU6H, GLY103L, GLY104L, GLY105L, GLY114H, GLY116H, GLY149H, GLY184H, GLY32L, GLY42H, GLY43L, GLY44H, GLY52L, GLY99L, HIS174H, HIS36L, ILE141L, ILE50L, ILE58H, LEU122L, LEU130L, LEU134H, LEU137L, LEU140L, LEU148H, LEU151H, LEU180H, LEU185H, LEU185L, LEU188H, LEU45H, LEU48L, LEU49L, LEU97L, LYS127H, LYS134L, LYS139H, LYS153H, LYS171L, LYS176L, LYS219H, LYS220H, LYS224H, LYS43H, LYS47L, LYS65H, PHE102L, PHE110H, PHE123L, PHE132H, PHE144L, PHE176H, PHE95H, PRO124L, PRO125L, PRO133H, PRO136H, PRO169L, PRO177H, PRO46L, PRO57L, SER100L, SER104H, SER119L, SER126L, SER127L, SER130H, SER137H, SER142L, SER170L, SER173L, SER180L, SER181L, SER182H, SER183H, SER184L, SER187H, SER189H, SER190H, SER2L, SER49H, SER50H, SER51L, SER54L, SER59H, SER63H, SER92L, SER95L, SER96L, SER98L, THR121L, THR136L, THR166L, THR167L, THR168L, THR175H, THR193H, THR214L, THR44L, TRP113H, TRP190L, TRP36H, TRP37L, TRP47H, TYR106H, TYR107H, TYR177L, TYR182L, TYR186H, TYR33L, TYR38L, TYR57H, TYR60H, TYR88L, TYR89L, TYR93L, VAL101L, VAL112H, VAL120L, VAL131H, VAL138L, VAL152H, VAL164L, VAL179H, VAL191H, VAL192H, VAL211L, VAL221H, VAL35L, VAL37H, VAL48H, VAL93H