2XTJ

the crystal structure of pcsk9 in complex with 1d05 fab

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 35
  • Norm. En. per Res.: -4.214
• 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	-14.4619	-19.0269	-34.2019	-67.6907	29	2	0	1268	2	12	12
A-D	-60.2859	-21.7181	-173.696	-255.7	69	10	6	7177	1	6	7
A-P	-125.8184	-11.2463	-373.887	-510.9517	125	15	16	14340	1	18	16
B-C	-48.9806	-22.8276	-75.6825	-147.4907	35	16	0	3478	2	12	10
B-D	-14.3869	-0.861	-222.688	-237.9359	81	10	6	8338	0	6	6
C-E	-42.2744	-16.6327	-243.881	-302.788	109	12	6	10128	1	16	12
D-E	-5.8985	0.0	-41.592	-47.4905	30	8	0	2200	0	2	3

Interface residues

• A-B: ALA32B, ARG194A, ARG237A, ARG30B, ASP192A, ASP1B, ASP238A, ASP374A, ASP92B, ASP94B, CYS375A, CYS378A, GLN190A, GLN27B, GLN3B, GLN90B, GLU195A, GLU197A, GLY28B, GLY93B, HIS193A, ILE29B, ILE2B, LYS222A, PHE379A, PHE91B, PRO95B, SER376A, THR377A
• A-D: ALA220A, ALA239A, ALA371A, ALA58D, ALA61D, ARG106D, ARG194A, ARG199A, ARG237A, ASN110D, ASN52D, ASN59D, ASP192A, ASP238A, ASP367A, ASP374A, CYS375A, CYS378A, GLN103D, GLN219A, GLN382A, GLN62D, GLN65D, GLU101D, GLU195A, GLU197A, GLY105D, GLY108D, GLY198A, GLY240A, GLY370A, GLY49D, GLY50D, GLY56D, HIS193A, HIS99D, ILE102D, ILE104D, ILE196A, ILE369A, ILE54D, ILE57D, LEU114D, LEU55D, LYS222A, LYS243A, LYS63D, MET109D, MET115D, MET48D, PHE379A, PRO155A, SER221A, SER225A, SER372A, SER373A, SER376A, SER381A, SER383A, THR377A, TRP156A, TRP47D, TYR107D, TYR112D, TYR113D, TYR116D, TYR60D, VAL111D, VAL380A
• A-P: ALA151P, ALA290A, ALA299A, ALA300A, ALA305A, ALA307A, ALA314A, ALA315A, ALA328A, ALA338A, ALA388A, ALA389A, ALA68P, ARG272A, ARG295A, ARG303A, ARG306A, ARG66P, ASN207A, ASN254A, ASN298A, ASN317A, ASN354A, ASP141P, ASP146P, ASP186A, ASP212A, ASP320A, ASP321A, CYS301A, CYS67P, GLN152P, GLN256A, GLN275A, GLN302A, GLN382A, GLN387A, GLU144P, GLU145P, GLU269A, GLU84P, GLY117P, GLY121P, GLY227A, GLY257A, GLY259A, GLY263A, GLY267A, GLY291A, GLY292A, GLY316A, GLY352A, GLY384A, HIS113P, HIS116P, HIS226A, HIS65P, ILE143P, ILE266A, ILE271A, LEU112P, LEU118P, LEU119P, LEU123P, LEU185A, LEU230A, LEU253A, LEU265A, LEU268A, LEU276A, LEU287A, LEU289A, LEU297A, LEU304A, LEU311A, LEU324A, LEU348A, LEU74P, LEU82P, LEU88P, LYS258A, LYS273A, LYS69P, PHE115P, PHE122P, PHE150P, PHE205A, PHE270A, PHE318A, PHE64P, PRO120P, PRO209A, PRO288A, PRO327A, PRO71P, SER147P, SER148P, SER262A, SER294A, SER326A, SER383A, SER386A, THR187A, THR260A, THR264A, THR313A, THR353A, THR385A, THR63P, THR77P, TRP72P, TYR142P, TYR293A, TYR325A, TYR78P, VAL114P, VAL124P, VAL149P, VAL252A, VAL261A, VAL296A, VAL309A, VAL79P, VAL80P, VAL81P
• B-C: ALA110C, ALA111C, ALA13B, ALA84B, ARG107B, ARG141C, ASN137C, ASP166C, ASP169C, GLN165C, GLU104B, GLU142C, GLU164C, ILE105B, LEU11B, LYS102B, LYS106B, LYS168C, PHE138C, PHE83B, PRO140C, PRO40B, SER10B, SER12B, SER167C, SER170C, THR108C, THR163C, THR171C, TYR139C, TYR172C, VAL103B, VAL109C, VAL162C, VAL85B
• B-D: ALA119D, ALA32B, ALA43B, ALA61D, ALA97D, ARG117D, ARG30B, ARG38D, ARG98D, ASN34B, ASN50B, ASN59D, ASP1B, ASP92B, ASP94B, CYS88B, CYS96D, GLN123D, GLN37B, GLN38B, GLN39D, GLN43D, GLN55B, GLN62D, GLN6D, GLN89B, GLN90B, GLN99B, GLU46D, GLY100B, GLY122D, GLY124D, GLY41B, GLY42D, GLY44D, GLY49D, GLY50D, GLY93B, GLY98B, HIS99D, ILE2B, ILE48B, LEU114D, LEU33B, LEU45D, LEU46B, LEU47B, LEU54B, LYS39B, LYS42B, LYS45B, LYS63D, MET115D, MET48D, PHE118D, PHE91B, PHE97B, PRO40B, PRO44B, PRO95B, SER120D, SER35D, SER56B, THR53B, THR96B, TRP121D, TRP35B, TRP36D, TRP47D, TYR100D, TYR113D, TYR116D, TYR36B, TYR49B, TYR60D, TYR86B, TYR87B, TYR95D, VAL37D, VAL85B, VAL93D
• C-E: ALA129C, ALA143E, ALA154E, ALA155E, ALA186E, ARG141C, ASN136C, ASN137C, ASN157C, ASN209C, ASP121C, ASP162E, ASP166C, ASP169C, CYS133C, CYS158E, GLN123C, GLN159C, GLN165C, GLN189E, GLU122C, GLU160C, GLU164C, GLU212C, GLU230E, GLY127C, GLY151E, GLY156C, GLY157E, GLY180E, HIS182E, ILE116C, LEU124C, LEU134C, LEU135C, LEU142E, LEU156E, LEU159E, LEU174C, LEU178C, LEU180C, LEU188E, LEU193E, LEU196E, LYS125C, LYS147E, LYS161E, LYS168C, LYS206C, LYS227E, LYS228E, PHE115C, PHE117C, PHE138C, PHE140E, PHE184E, PHE208C, PRO112C, PRO118C, PRO119C, PRO141E, PRO144E, PRO185E, SER113C, SER120C, SER126C, SER130C, SER138E, SER145E, SER146E, SER148E, SER150E, SER158C, SER161C, SER167C, SER173C, SER175C, SER176C, SER179E, SER190E, SER191E, SER195E, SER197E, SER198E, SER207C, THR128C, THR149E, THR153E, THR163C, THR171C, THR177C, THR179C, THR183E, THR201E, THR205C, TYR172C, TYR191C, TYR194E, VAL114C, VAL131C, VAL132C, VAL139E, VAL162C, VAL181E, VAL187E, VAL199E, VAL200E, VAL202E, VAL229E
• D-E: ALA132E, ALA9D, GLU10D, GLU166E, GLY192E, HIS218E, LEU126D, LEU188E, LEU193E, LYS12D, LYS135E, LYS13D, PHE164E, PRO14D, PRO165E, PRO167E, PRO220E, PRO41D, SER130D, SER131D, SER133E, SER191E, SER88D, THR128D, THR134E, THR91D, TYR194E, VAL11D, VAL127D, VAL129D