1OR0

crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 296
  • Norm. En. per Res.: -4.9133
• Hub Node: B(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	-220.0285	-52.2672	-1182.03	-1454.3256	296	44	34	43929	8	56	61
B-C	0.0	16.5673	-47.2561	-30.6888	27	6	0	1654	0	10	8
B-D	-11.3641	0.9732	-60.6746	-71.0655	23	4	0	2084	0	6	4
C-D	-214.8921	-92.9686	-1142.79	-1450.6507	298	47	34	43393	9	55	60

Interface residues

• A-B: ALA102A, ALA102B, ALA106A, ALA108A, ALA109A, ALA109B, ALA113A, ALA11A, ALA12A, ALA132B, ALA138B, ALA139A, ALA141A, ALA142B, ALA151A, ALA35A, ALA36B, ALA38A, ALA45A, ALA47A, ALA48B, ALA510B, ALA511B, ALA66A, ALA76B, ALA89A, ALA8A, ALA94A, ARG101A, ARG105B, ARG107B, ARG121B, ARG131B, ARG140B, ARG143A, ARG146B, ARG155A, ARG16A, ARG171B, ARG184B, ARG479B, ARG48A, ARG492B, ARG495B, ARG499B, ARG504B, ARG505B, ARG515B, ARG56A, ARG57B, ARG63B, ARG88A, ASN103A, ASN118A, ASN146A, ASN18A, ASN477B, ASN519B, ASN53A, ASN61B, ASN71B, ASN78B, ASN83A, ASP105A, ASP115B, ASP121A, ASP133B, ASP136A, ASP145B, ASP155B, ASP23A, ASP29B, ASP34A, ASP42B, ASP488B, ASP497B, ASP52A, ASP72A, ASP99A, GLN108B, GLN117A, GLN128A, GLN152B, GLN173B, GLN208B, GLN46A, GLN480B, GLN489B, GLN507B, GLN50B, GLN513B, GLN62B, GLN75A, GLN91A, GLN95A, GLN96A, GLU119B, GLU130B, GLU151B, GLU159A, GLU185B, GLU19A, GLU35B, GLU44B, GLU491B, GLU500B, GLU506B, GLU509B, GLU514B, GLU60A, GLU67A, GLU74A, GLY110A, GLY111B, GLY126B, GLY134A, GLY143B, GLY148B, GLY154A, GLY158A, GLY160A, GLY194B, GLY209B, GLY24A, GLY26A, GLY32A, GLY41A, GLY43A, GLY476B, GLY47B, GLY51A, GLY52B, GLY63A, GLY65A, GLY70A, GLY72B, GLY75B, GLY84A, HIS140A, HIS142A, HIS23B, HIS29A, HIS37B, HIS485B, HIS50A, ILE10A, ILE111A, ILE120B, ILE122A, ILE157B, ILE20A, ILE30A, ILE45B, ILE490B, ILE51B, ILE54A, ILE56B, LEU104A, LEU106B, LEU118B, LEU144A, LEU144B, LEU148A, LEU150B, LEU157A, LEU210B, LEU21A, LEU24B, LEU38B, LEU472B, LEU501B, LEU502B, LEU503B, LEU53B, LEU55A, LEU57A, LEU80A, LEU81A, LYS116B, LYS14A, LYS521B, LYS64A, PHE100A, PHE107A, PHE129B, PHE147A, PHE154B, PHE177B, PHE31B, PHE39A, PHE43B, PHE518B, PHE520B, PHE58B, PRO100B, PRO117B, PRO124A, PRO127B, PRO147B, PRO153A, PRO15A, PRO175B, PRO197B, PRO22B, PRO28A, PRO36A, PRO41B, PRO466B, PRO481B, PRO517B, PRO54B, PRO71A, PRO86A, PRO9A, SER103B, SER122B, SER123A, SER152A, SER17A, SER1B, SER25B, SER37A, SER464B, SER478B, SER487B, SER49A, SER97A, THR112B, THR113B, THR135B, THR156A, THR158B, THR176B, THR27B, THR28B, THR32B, THR40B, THR465B, THR483B, THR484B, THR49B, THR516B, THR69B, THR76A, THR77A, THR77B, THR82A, TRP220B, TRP22A, TRP44A, TRP457B, TRP69A, TRP79A, TRP92A, TYR104B, TYR114A, TYR13A, TYR149A, TYR153B, TYR25A, TYR30B, TYR31A, TYR33B, TYR34B, TYR40A, TYR42A, TYR46B, TYR475B, TYR486B, TYR58A, TYR68A, TYR73A, TYR79B, TYR93A, VAL114B, VAL126A, VAL128B, VAL137A, VAL137B, VAL138A, VAL139B, VAL141B, VAL150A, VAL174B, VAL195B, VAL27A, VAL33A, VAL39B, VAL467B, VAL508B, VAL512B, VAL55B, VAL70B, VAL74B, VAL78A, VAL85A
• B-C: ALA102B, ALA115C, ARG105B, ARG127C, ARG99B, ASN118C, ASP115B, ASP120C, ASP121C, ASP125C, GLN101B, GLN116C, GLN117C, GLN128C, GLU119B, ILE122C, LEU118B, LYS116B, PRO100B, PRO117B, PRO119C, PRO124C, SER103B, SER123C, TYR104B, TYR68C, VAL114B
• B-D: ALA109D, ARG105D, ARG107D, ARG95B, ARG99B, ASP110D, ASP115D, ASP85B, GLN108D, GLN84B, GLN93B, GLU98B, GLY111D, GLY86B, GLY87B, LEU106D, PHE97B, PRO96B, THR112D, THR113D, TYR88B, VAL114D, VAL94B
• C-D: ALA102C, ALA102D, ALA106C, ALA108C, ALA109C, ALA109D, ALA113C, ALA11C, ALA12C, ALA132D, ALA138D, ALA139C, ALA141C, ALA142D, ALA151C, ALA196D, ALA35C, ALA36D, ALA38C, ALA45C, ALA47C, ALA48D, ALA510D, ALA511D, ALA66C, ALA76D, ALA89C, ALA94C, ARG101C, ARG105D, ARG107D, ARG121D, ARG131D, ARG140D, ARG143C, ARG146D, ARG155C, ARG16C, ARG171D, ARG184D, ARG479D, ARG48C, ARG492D, ARG495D, ARG499D, ARG504D, ARG505D, ARG515D, ARG56C, ARG57D, ARG63D, ARG88C, ASN103C, ASN118C, ASN146C, ASN18C, ASN477D, ASN519D, ASN53C, ASN61D, ASN71D, ASN78D, ASN83C, ASP105C, ASP115D, ASP120C, ASP121C, ASP133D, ASP136C, ASP145D, ASP155D, ASP23C, ASP29D, ASP34C, ASP42D, ASP488D, ASP497D, ASP52C, ASP72C, ASP99C, GLN108D, GLN116C, GLN117C, GLN128C, GLN152D, GLN173D, GLN208D, GLN46C, GLN480D, GLN489D, GLN507D, GLN50D, GLN513D, GLN62D, GLN75C, GLN91C, GLN95C, GLN96C, GLU119D, GLU130D, GLU151D, GLU159C, GLU185D, GLU19C, GLU35D, GLU44D, GLU491D, GLU500D, GLU506D, GLU509D, GLU514D, GLU60C, GLU67C, GLU74C, GLU87C, GLY110C, GLY111D, GLY126D, GLY134C, GLY143D, GLY148D, GLY154C, GLY158C, GLY160C, GLY194D, GLY209D, GLY24C, GLY26C, GLY32C, GLY41C, GLY43C, GLY476D, GLY47D, GLY51C, GLY52D, GLY63C, GLY65C, GLY70C, GLY72D, GLY75D, GLY84C, HIS140C, HIS142C, HIS23D, HIS29C, HIS37D, HIS485D, HIS50C, ILE10C, ILE111C, ILE120D, ILE122C, ILE157D, ILE20C, ILE30C, ILE45D, ILE490D, ILE51D, ILE54C, ILE56D, LEU104C, LEU106D, LEU118D, LEU144C, LEU144D, LEU148C, LEU150D, LEU157C, LEU210D, LEU21C, LEU24D, LEU38D, LEU472D, LEU501D, LEU502D, LEU503D, LEU53D, LEU55C, LEU57C, LEU80C, LEU81C, LYS116D, LYS14C, LYS521D, LYS64C, PHE100C, PHE107C, PHE129D, PHE147C, PHE154D, PHE177D, PHE31D, PHE39C, PHE43D, PHE518D, PHE520D, PHE58D, PRO100D, PRO117D, PRO124C, PRO127D, PRO147D, PRO153C, PRO15C, PRO175D, PRO197D, PRO22D, PRO28C, PRO36C, PRO41D, PRO466D, PRO481D, PRO517D, PRO54D, PRO71C, PRO86C, PRO9C, SER103D, SER122D, SER123C, SER152C, SER17C, SER1D, SER37C, SER464D, SER478D, SER487D, SER49C, SER97C, THR112D, THR113D, THR135D, THR156C, THR158D, THR176D, THR27D, THR28D, THR32D, THR40D, THR465D, THR483D, THR484D, THR49D, THR516D, THR69D, THR76C, THR77C, THR77D, THR82C, TRP220D, TRP22C, TRP44C, TRP457D, TRP69C, TRP79C, TRP92C, TYR104D, TYR114C, TYR13C, TYR149C, TYR153D, TYR25C, TYR30D, TYR31C, TYR33D, TYR34D, TYR40C, TYR42C, TYR46D, TYR475D, TYR486D, TYR58C, TYR68C, TYR73C, TYR79D, TYR93C, VAL114D, VAL126C, VAL128D, VAL137C, VAL137D, VAL138C, VAL139D, VAL141D, VAL150C, VAL174D, VAL195D, VAL27C, VAL33C, VAL39D, VAL467D, VAL508D, VAL512D, VAL55D, VAL70D, VAL74D, VAL78C, VAL85C