1QIP

human glyoxalase i complexed with s-p- nitrobenzyloxycarbonylglutathione

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 293
  • Norm. En. per Res.: -4.7275
• 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	-296.4948	-4.9482	-1081.23	-1382.673	296	46	43	41841	5	70	66
A-D	0.0	-10.9493	-14.2801	-25.2294	28	1	0	799	1	15	12
B-C	-3.2332	10.5859	-16.0674	-8.7147	27	0	0	1066	0	8	13
B-D	-17.3401	-32.4183	-47.423	-97.1814	45	5	0	2477	3	22	18
C-D	-300.5064	-4.8828	-1079.78	-1385.1692	293	45	41	41387	5	70	67

Interface residues

• A-B: ALA130A, ALA130B, ALA137A, ALA137B, ALA14A, ALA14B, ALA15A, ALA15B, ALA180A, ALA180B, ALA22A, ALA22B, ALA73A, ALA73B, ALA89A, ALA89B, ALA91A, ALA91B, ALA96A, ALA96B, ARG122A, ARG122B, ARG140A, ARG140B, ARG37A, ARG37B, ARG50A, ARG50B, ARG94A, ARG94B, ASN103A, ASN103B, ASN116A, ASN116B, ASN118A, ASN118B, ASN175A, ASN175B, ASN177A, ASN177B, ASP108A, ASP108B, ASP109A, ASP120A, ASP120B, ASP12A, ASP12B, ASP133A, ASP133B, ASP167A, ASP167B, ASP21A, ASP21B, ASP23A, ASP23B, ASP28A, ASP28B, ASP40A, ASP40B, ASP46A, ASP46B, ASP61A, ASP61B, ASP76A, ASP76B, ASP85A, ASP85B, CYS138A, CYS138B, CYS18A, CYS18B, CYS19A, CYS19B, CYS60A, CYS60B, GLN112A, GLN112B, GLN32A, GLN32B, GLN33A, GLN33B, GLN4B, GLN58A, GLN58B, GLU107A, GLU107B, GLU13A, GLU13B, GLU172A, GLU172B, GLU75A, GLU75B, GLU86A, GLU86B, GLU99A, GLU99B, GLY105A, GLY105B, GLY117A, GLY117B, GLY123A, GLY123B, GLY125A, GLY125B, GLY128A, GLY128B, GLY53A, GLY53B, GLY8A, GLY8B, GLY9A, GLY9B, HIS102A, HIS102B, HIS115A, HIS115B, HIS126A, HIS126B, ILE127A, ILE127B, ILE129A, ILE129B, ILE163A, ILE163B, ILE171A, ILE171B, ILE173A, ILE173B, ILE57A, ILE57B, ILE64A, ILE64B, ILE80A, ILE80B, ILE88A, ILE88B, LEU10A, LEU10B, LEU144A, LEU144B, LEU160A, LEU160B, LEU16A, LEU16B, LEU174A, LEU174B, LEU182A, LEU182B, LEU30A, LEU30B, LEU31A, LEU31B, LEU36A, LEU36B, LEU45A, LEU45B, LEU52A, LEU52B, LEU56A, LEU56B, LEU69A, LEU69B, LEU72A, LEU72B, LEU92A, LEU92B, LEU98A, LEU98B, LYS139A, LYS139B, LYS156A, LYS156B, LYS178A, LYS178B, LYS27A, LYS27B, LYS39A, LYS42A, LYS42B, LYS43A, LYS43B, LYS59A, LYS59B, LYS66A, LYS66B, LYS77A, LYS77B, LYS84A, LYS84B, LYS87A, LYS87B, LYS95A, LYS95B, MET157A, MET157B, MET179A, MET179B, MET183A, MET183B, MET35A, MET35B, MET54A, MET54B, MET65A, MET65B, PHE124A, PHE124B, PHE141A, PHE141B, PHE162A, PHE162B, PHE29A, PHE29B, PHE47A, PHE47B, PHE62A, PHE62B, PHE67A, PHE67B, PHE71A, PHE71B, PRO121A, PRO121B, PRO132A, PRO132B, PRO176A, PRO176B, PRO24A, PRO24B, PRO41A, PRO41B, PRO5B, PRO63A, PRO63B, PRO6B, SER113A, SER113B, SER119A, SER119B, SER136A, SER136B, SER17A, SER17B, SER20A, SER20B, SER25A, SER25B, SER44A, SER44B, SER68A, SER68B, SER7B, SER93A, SER93B, THR101A, THR101B, THR106A, THR106B, THR11A, THR11B, THR181A, THR181B, THR26A, THR26B, THR34A, THR34B, THR49A, THR49B, THR55A, THR55B, THR97A, THR97B, TRP104A, TRP104B, TRP170A, TRP170B, TRP90A, TRP90B, TYR114A, TYR114B, TYR169A, TYR169B, TYR48A, TYR48B, TYR70A, TYR70B, TYR74A, TYR74B, VAL131A, VAL131B, VAL134A, VAL134B, VAL38A, VAL38B, VAL51A, VAL51B
• A-D: ARG37A, ASN103A, ASP109A, ASP120A, ASP120D, ASP153D, ASP154D, GLN112A, GLU110A, GLU142D, GLU143D, GLY155D, ILE64A, LYS139D, LYS147D, LYS151D, LYS158D, LYS39A, LYS66A, MET65A, PHE148D, PHE67A, SER113A, THR101A, THR106A, THR111A, TRP104A, VAL146D
• B-C: ASN103C, ASN116B, ASP108C, ASP109B, ASP109C, ASP165B, ASP167B, GLN112B, GLN112C, GLN164B, GLU110B, GLY105C, GLY168B, ILE64C, LYS147B, LYS39B, LYS66C, MET65C, PHE148B, PRO166B, PRO63C, SER113B, THR106C, THR111B, THR111C, TRP104C, VAL146B
• B-D: ARG122B, ASN116B, ASN116D, ASN118B, ASN118D, ASP120B, ASP153D, ASP154B, ASP154D, GLN164B, GLN164D, GLN4D, GLU110B, GLY117B, GLY155B, GLY155D, GLY168B, GLY8D, ILE163B, LYS147B, LYS147D, LYS150B, LYS150D, LYS151B, LYS151D, LYS156B, LYS156D, LYS158D, MET157D, MET183D, PHE148B, PHE148D, PHE162B, PHE162D, PRO121B, PRO5D, PRO6D, SER119B, SER119D, SER7D, TRP170B, TRP170D, TYR135D, VAL149B, VAL149D
• C-D: ALA130C, ALA130D, ALA137C, ALA137D, ALA14C, ALA14D, ALA15C, ALA15D, ALA180C, ALA180D, ALA22C, ALA22D, ALA73C, ALA73D, ALA89C, ALA89D, ALA91C, ALA91D, ALA96C, ALA96D, ARG122C, ARG122D, ARG140C, ARG140D, ARG37C, ARG37D, ARG50C, ARG50D, ARG94C, ARG94D, ASN103C, ASN103D, ASN116C, ASN116D, ASN118C, ASN118D, ASN175C, ASN175D, ASN177C, ASN177D, ASN78C, ASP108C, ASP108D, ASP109C, ASP120C, ASP120D, ASP12C, ASP12D, ASP133C, ASP133D, ASP167C, ASP167D, ASP21C, ASP21D, ASP23C, ASP23D, ASP28C, ASP28D, ASP40C, ASP40D, ASP46C, ASP46D, ASP61C, ASP61D, ASP76C, ASP76D, ASP85C, ASP85D, CYS138C, CYS138D, CYS18C, CYS18D, CYS19C, CYS19D, CYS60C, CYS60D, GLN112C, GLN112D, GLN32C, GLN32D, GLN33C, GLN33D, GLN4D, GLN58C, GLN58D, GLU107C, GLU107D, GLU13C, GLU13D, GLU172C, GLU172D, GLU75C, GLU75D, GLU83C, GLU86C, GLU86D, GLU99C, GLU99D, GLY105C, GLY105D, GLY117C, GLY117D, GLY123C, GLY123D, GLY125C, GLY125D, GLY128C, GLY128D, GLY53C, GLY53D, GLY8C, GLY8D, GLY9C, GLY9D, HIS102C, HIS102D, HIS115C, HIS115D, HIS126C, HIS126D, ILE127C, ILE127D, ILE129C, ILE129D, ILE163C, ILE163D, ILE171C, ILE171D, ILE173C, ILE173D, ILE57D, ILE64C, ILE64D, ILE80D, ILE88C, ILE88D, LEU10C, LEU10D, LEU144C, LEU144D, LEU160C, LEU160D, LEU16C, LEU16D, LEU174C, LEU174D, LEU182C, LEU182D, LEU30C, LEU30D, LEU31C, LEU31D, LEU36C, LEU36D, LEU45C, LEU45D, LEU52C, LEU52D, LEU56C, LEU56D, LEU69C, LEU69D, LEU72C, LEU72D, LEU92C, LEU92D, LEU98C, LEU98D, LYS156C, LYS156D, LYS178C, LYS178D, LYS27C, LYS27D, LYS42C, LYS42D, LYS43C, LYS43D, LYS59C, LYS59D, LYS66C, LYS66D, LYS77C, LYS77D, LYS84C, LYS84D, LYS87C, LYS87D, LYS95C, LYS95D, MET157C, MET157D, MET179C, MET179D, MET183C, MET183D, MET35C, MET35D, MET54C, MET54D, MET65C, MET65D, PHE124C, PHE124D, PHE141C, PHE141D, PHE162C, PHE162D, PHE29C, PHE29D, PHE47C, PHE47D, PHE62C, PHE62D, PHE67C, PHE67D, PHE71C, PHE71D, PRO121C, PRO121D, PRO132C, PRO132D, PRO176C, PRO176D, PRO24C, PRO24D, PRO41C, PRO41D, PRO5D, PRO63C, PRO63D, PRO6D, SER113C, SER113D, SER119C, SER119D, SER136C, SER136D, SER17C, SER17D, SER20C, SER20D, SER25C, SER25D, SER44C, SER44D, SER68C, SER68D, SER7D, SER93C, SER93D, THR101C, THR101D, THR106C, THR106D, THR11C, THR11D, THR181C, THR181D, THR26C, THR26D, THR34C, THR34D, THR49C, THR49D, THR55C, THR55D, THR97C, THR97D, TRP104C, TRP104D, TRP170C, TRP170D, TRP90C, TRP90D, TYR114C, TYR114D, TYR169C, TYR169D, TYR48C, TYR48D, TYR70C, TYR70D, TYR74C, TYR74D, VAL131C, VAL131D, VAL134C, VAL134D, VAL38C, VAL38D, VAL51C, VAL51D