2IZ1

6pdh complexed with pex inhibitor synchrotron data

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 403
  • Norm. En. per Res.: -5.2319
• 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	-237.5461	-74.6446	-1796.27	-2108.4607	403	59	62	70178	15	162	149
A-C	-7.3879	-1.4058	-126.242	-135.0358	65	5	0	4853	0	18	16

Interface residues

• A-B: ALA12A, ALA134A, ALA199A, ALA199B, ALA259A, ALA259B, ALA272A, ALA272B, ALA288A, ALA288B, ALA301A, ALA301B, ALA309A, ALA309B, ALA340A, ALA340B, ALA405A, ALA405B, ALA413A, ALA413B, ALA416A, ALA416B, ALA426A, ALA426B, ALA440A, ALA440B, ALA445A, ALA445B, ALA452A, ALA452B, ALA461A, ALA461B, ARG207A, ARG207B, ARG242A, ARG242B, ARG289A, ARG289B, ARG298A, ARG298B, ARG343A, ARG343B, ARG369B, ARG401A, ARG401B, ARG407A, ARG407B, ARG434A, ARG434B, ARG447A, ARG447B, ARG457A, ARG457B, ASN102A, ASN17A, ASN188A, ASN213A, ASN213B, ASN261A, ASN261B, ASN388A, ASN388B, ASN437A, ASN437B, ASN441A, ASN441B, ASP194A, ASP194B, ASP203A, ASP203B, ASP244A, ASP244B, ASP245A, ASP245B, ASP253A, ASP253B, ASP257A, ASP257B, ASP274A, ASP274B, ASP296A, ASP296B, ASP383A, ASP383B, ASP392A, ASP392B, ASP393A, ASP393B, ASP397A, ASP397B, ASP408A, ASP408B, ASP431A, ASP431B, ASP448A, ASP448B, ASP459A, ASP459B, ASP467A, ASP467B, CYS366B, GLN196A, GLN196B, GLN337A, GLN337B, GLN341A, GLN341B, GLN403A, GLN403B, GLN415A, GLN415B, GLN444A, GLN444B, GLN446A, GLN446B, GLU131A, GLU131B, GLU191A, GLU191B, GLU200A, GLU200B, GLU234A, GLU234B, GLU238A, GLU238B, GLU246A, GLU246B, GLU248A, GLU248B, GLU270A, GLU270B, GLU284A, GLU284B, GLU297A, GLU297B, GLU385A, GLU385B, GLU387A, GLU387B, GLU404A, GLU404B, GLU436A, GLU436B, GLU456A, GLU456B, GLY129A, GLY129B, GLY130A, GLY130B, GLY133A, GLY133B, GLY247A, GLY247B, GLY260A, GLY260B, GLY263A, GLY263B, GLY265A, GLY265B, GLY276A, GLY276B, GLY307A, GLY307B, GLY365B, GLY417A, GLY417B, GLY451A, GLY451B, GLY462A, GLY462B, HIS187A, HIS187B, HIS453A, HIS453B, HIS465A, HIS465B, ILE198A, ILE198B, ILE216A, ILE216B, ILE233A, ILE233B, ILE235A, ILE235B, ILE251A, ILE251B, ILE255A, ILE255B, ILE282A, ILE282B, ILE291A, ILE291B, ILE367A, ILE367B, ILE368B, ILE420A, ILE420B, ILE427A, ILE427B, ILE443A, ILE443B, LEU197A, LEU197B, LEU204A, LEU204B, LEU205A, LEU205B, LEU232A, LEU232B, LEU240A, LEU240B, LEU256A, LEU256B, LEU273A, LEU273B, LEU275A, LEU275B, LEU279A, LEU279B, LEU281A, LEU281B, LEU305A, LEU305B, LEU310A, LEU310B, LEU386A, LEU386B, LEU389A, LEU389B, LEU390A, LEU390B, LEU391A, LEU391B, LEU412A, LEU412B, LEU438A, LEU438B, LEU442A, LEU442B, LYS132A, LYS132B, LYS184A, LYS206A, LYS206B, LYS237A, LYS237B, LYS241A, LYS241B, LYS243A, LYS243B, LYS254A, LYS254B, LYS258A, LYS258B, LYS262A, LYS262B, LYS266A, LYS266B, LYS295A, LYS295B, LYS300A, LYS300B, LYS303A, LYS303B, LYS322A, LYS322B, LYS344A, LYS344B, LYS400A, LYS400B, LYS460A, LYS460B, MET14A, MET195A, MET195B, MET333A, MET333B, PHE220A, PHE220B, PHE287A, PHE287B, PHE329A, PHE329B, PHE395A, PHE395B, PHE423A, PHE423B, PHE450A, PHE450B, PHE464A, PHE464B, PRO278A, PRO278B, PRO280A, PRO280B, PRO308A, PRO308B, PRO419A, PRO419B, PRO421A, PRO421B, PRO439A, PRO439B, SER128A, SER128B, SER201A, SER201B, SER269A, SER269B, SER271A, SER271B, SER285A, SER285B, SER292A, SER292B, SER302A, SER302B, SER306A, SER306B, SER411A, SER411B, SER425A, SER425B, SER428A, SER428B, SER432A, SER432B, SER435A, SER435B, THR236A, THR236B, THR268A, THR268B, THR283A, THR283B, THR293A, THR293B, THR399A, THR399B, THR418A, THR418B, THR422A, THR422B, THR424A, THR424B, THR454A, THR454B, THR458A, THR458B, TRP267A, TRP267B, TRP468A, TRP468B, TYR192A, TYR192B, TYR202A, TYR202B, TYR231A, TYR231B, TYR250A, TYR250B, TYR290A, TYR290B, TYR294A, TYR294B, TYR402A, TYR429A, TYR429B, TYR430A, TYR430B, TYR433A, TYR433B, TYR449A, TYR449B, TYR455A, TYR455B, TYR466A, TYR466B, TYR469A, TYR469B, VAL13A, VAL239A, VAL239B, VAL252A, VAL252B, VAL277A, VAL277B, VAL286A, VAL286B, VAL299A, VAL299B, VAL304A, VAL304B, VAL396A, VAL396B, VAL406A, VAL406B, VAL409A, VAL409B, VAL410A, VAL410B, VAL414A, VAL414B
• A-C: ALA160A, ALA160C, ALA161A, ALA163A, ALA163C, ALA2A, ALA2C, ALA4A, ALA4C, ARG25A, ARG25C, ASN21A, ASN21C, ASN50A, ASN50C, ASN5A, ASN5C, ASP166A, ASP166C, ASP48A, ASP48C, GLN158A, GLN158C, GLN165A, GLN165C, GLN3A, GLN3C, GLN47C, GLU157A, GLU157C, GLU23A, GLU23C, GLU65C, GLY167A, GLY167C, GLY26A, GLY26C, ILE155A, ILE155C, ILE159A, ILE159C, LEU136A, LYS162A, LYS162C, LYS168A, LYS168C, LYS49A, LYS49C, PRO154A, PRO154C, PRO164A, PRO164C, PRO169A, PRO169C, SER24A, SER24C, THR28A, THR28C, TYR27A, TYR27C, VAL22A, VAL22C, VAL29A, VAL52A, VAL52C