3Q78

cryptococcus neoformans protein farnesyltransferase in complex with fspp and ddptasacniq peptide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 322
  • Norm. En. per Res.: -4.4437
• 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	-233.5289	-68.2633	-1129.09	-1430.8822	322	55	23	41794	9	92	80
A-D	-2.4053	0.0	-31.9348	-34.3401	18	0	0	1237	0	0	0
B-D	-28.2169	0.0	-140.668	-168.8849	62	5	0	5051	0	0	0

Interface residues

• A-B: ALA133B, ALA149A, ALA153B, ALA189A, ALA230A, ALA235B, ALA237B, ALA25B, ALA263B, ALA265B, ALA294B, ALA296B, ALA297B, ALA323A, ALA334A, ALA379B, ALA48A, ALA50A, ALA51A, ALA72A, ALA86B, ARG113B, ARG181A, ARG181B, ARG185A, ARG193A, ARG197B, ARG200A, ARG22B, ARG235A, ARG259B, ARG299B, ARG315B, ARG317B, ARG322A, ARG329A, ARG330A, ARG331A, ARG342B, ARG377B, ARG47A, ARG68A, ARG88B, ASN134B, ASN144A, ASN186A, ASN187A, ASN20B, ASN227A, ASN232A, ASN28A, ASN295B, ASN319B, ASN376B, ASN70A, ASP112B, ASP141A, ASP183A, ASP195B, ASP24A, ASP25A, ASP282A, ASP28B, ASP293B, ASP296A, ASP319A, ASP44A, ASP85B, CYS189B, CYS227B, CYS236B, CYS258B, CYS333A, GLN110A, GLN136B, GLN228B, GLN23A, GLN304B, GLN305B, GLN30B, GLN320A, GLN408B, GLN76B, GLN78A, GLU190B, GLU193B, GLU231B, GLU264B, GLU281A, GLU292A, GLU29B, GLU307B, GLU310B, GLU312A, GLU317A, GLU327A, GLU332A, GLU338B, GLU382B, GLU4B, GLY109B, GLY129B, GLY130B, GLY131B, GLY162A, GLY184A, GLY191A, GLY191B, GLY192B, GLY202A, GLY232B, GLY233B, GLY236A, GLY267B, GLY268B, GLY26A, GLY306B, GLY311B, GLY312B, GLY313B, GLY316B, GLY324A, GLY79B, HIS113A, HIS114A, HIS120B, HIS139B, HIS146A, HIS152A, HIS157A, HIS222A, HIS226A, HIS240A, HIS266B, HIS73A, ILE137B, ILE21A, ILE221A, ILE224A, ILE309B, ILE33A, ILE371B, ILE374B, ILE66A, LEU106B, LEU116A, LEU117A, LEU118B, LEU119B, LEU12B, LEU140B, LEU141B, LEU151A, LEU154A, LEU161A, LEU17B, LEU180A, LEU223A, LEU234A, LEU238A, LEU279A, LEU27B, LEU285A, LEU289A, LEU298B, LEU303B, LEU314A, LEU321B, LEU380B, LEU77B, LEU84B, LEU91B, LYS107A, LYS111B, LYS143A, LYS15B, LYS239A, LYS320B, LYS345B, LYS348B, LYS40A, LYS80B, MET22A, MET262B, MET321A, MET34A, MET43A, MET69A, PHE121B, PHE128B, PHE158A, PHE175B, PHE234B, PHE237A, PHE239B, PHE241B, PHE314B, PHE328A, PHE375B, PHE383B, PHE46A, PHE5B, PHE74B, PHE75B, PHE81A, PHE81B, PHE93B, PRO132B, PRO138B, PRO142A, PRO142B, PRO16B, PRO18B, PRO201A, PRO225A, PRO23B, PRO240B, PRO242B, PRO27A, PRO280A, PRO284A, PRO286A, PRO288A, PRO29A, PRO308B, PRO32A, PRO372B, PRO373B, PRO71A, PRO78B, PRO7B, PRO89B, SER108A, SER116B, SER11B, SER135B, SER149B, SER156A, SER159A, SER188A, SER199A, SER19B, SER21B, SER220A, SER229A, SER238B, SER24B, SER261B, SER315A, SER316A, SER36A, SER73B, SER82A, SER83B, SER87B, SER8B, THR110B, THR117B, THR143B, THR147A, THR160A, THR229B, THR26B, THR270B, THR283A, THR301B, THR318B, THR6B, THR75A, THR95B, TRP112A, TRP148A, TRP153A, TRP169A, TRP190A, TRP192A, TRP194A, TRP231A, TRP300B, TRP326A, TRP77A, TRP90B, TRP94B, TYR109A, TYR145A, TYR150A, TYR155A, TYR195A, TYR230B, TYR233A, TYR255A, TYR269B, TYR293A, TYR318A, TYR325A, TYR35A, TYR39A, TYR74A, TYR79A, VAL114B, VAL115B, VAL13B, VAL182A, VAL187B, VAL188B, VAL194B, VAL196B, VAL198A, VAL228A, VAL260B, VAL287A, VAL302B, VAL30A, VAL31A, VAL341B, VAL349B, VAL378B, VAL76A, VAL82B, VAL92B, VAL96B, VAL9B
• A-D: ALA72A, ALA7D, ASN105A, ASN9D, CYS8D, GLN110A, GLN11D, HIS146A, HIS73A, ILE10D, LEU106A, LYS107A, PRO71A, SER108A, SER6D, THR75A, TYR109A, TYR74A
• B-D: ALA145B, ALA5D, ALA7D, ALA86B, ARG197B, ARG399B, ARG405B, ARG88B, ASN413B, ASN9D, ASP195B, ASP323B, ASP391B, ASP400B, ASP407B, ASP85B, CYS189B, CYS201B, CYS325B, CYS8D, GLN11D, GLN136B, GLN390B, GLU193B, GLY129B, GLY130B, GLY131B, GLY268B, GLY403B, HIS139B, HIS266B, HIS410B, ILE10D, ILE137B, LEU140B, LEU141B, LEU36B, LEU84B, LYS401B, LYS404B, LYS80B, PHE93B, PRO142B, PRO3D, PRO402B, PRO406B, PRO89B, SER6D, SER83B, SER87B, THR143B, THR4D, TRP328B, TRP329B, TRP90B, TRP94B, TYR144B, TYR200B, TYR269B, TYR326B, TYR409B, VAL188B