2AE4

glutaryl 7-aminocephalosporanic acid acylase: mutational study of activation mechanism

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 322
  • Norm. En. per Res.: -4.6863
• Hub Node: A(1)

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	-200.0779	-63.66	-1245.25	-1508.9879	322	40	38	47172	10	62	62

Interface residues

• A-B: ALA102A, ALA102B, ALA106A, ALA108A, ALA109A, ALA109B, ALA113A, ALA11A, ALA12A, ALA132B, ALA138B, ALA139A, ALA141A, ALA142B, ALA151A, ALA196B, ALA35A, ALA36B, ALA38A, ALA45A, ALA47A, ALA48B, ALA510B, ALA511B, ALA66A, ALA76B, ALA89A, ALA8A, ALA94A, ARG100B, ARG101A, ARG105B, ARG107B, ARG121B, ARG131B, ARG140B, ARG143A, ARG146B, ARG155A, ARG16A, ARG171B, ARG184B, ARG353B, ARG449B, ARG479B, ARG48A, ARG492B, ARG495B, ARG499B, ARG504B, ARG505B, ARG515B, ARG56A, ARG57B, ARG63B, ARG88A, ASN103A, ASN118A, ASN146A, ASN15B, ASN18A, ASN477B, ASN519B, ASN53A, ASN68B, ASN71B, ASN78B, ASN83A, ASP105A, ASP115B, ASP121A, ASP125A, ASP133B, ASP136A, ASP145B, ASP155B, ASP164A, ASP23A, ASP29B, ASP34A, ASP42B, ASP442B, ASP488B, ASP497B, ASP52A, ASP72A, ASP99A, GLN108B, GLN128A, GLN152B, GLN159A, GLN173B, GLN208B, GLN46A, GLN480B, GLN489B, GLN507B, GLN50B, GLN513B, GLN62B, GLN75A, GLN7A, GLN91A, GLN95A, GLN96A, GLU119B, GLU130B, GLU151B, GLU185B, GLU19A, GLU35B, GLU44B, GLU491B, GLU500B, GLU506B, GLU509B, GLU514B, GLU60A, GLU67A, GLU74A, GLU87A, GLY110A, GLY111B, GLY126B, GLY134A, GLY143B, GLY148B, GLY154A, GLY158A, GLY194B, GLY209B, GLY24A, GLY26A, GLY32A, GLY41A, GLY43A, GLY476B, GLY47B, GLY51A, GLY52B, GLY63A, GLY65A, GLY70A, GLY72B, GLY75B, GLY84A, HIS140A, HIS142A, HIS23B, HIS29A, HIS37B, HIS453B, HIS485B, HIS50A, ILE10A, ILE111A, ILE120B, ILE122A, ILE157B, ILE20A, ILE30A, ILE45B, ILE490B, ILE51B, ILE54A, ILE56B, LEU104A, LEU106B, LEU118B, LEU144A, LEU144B, LEU148A, LEU150B, LEU157A, LEU165A, LEU210B, LEU21A, LEU24B, LEU38B, LEU472B, LEU501B, LEU502B, LEU503B, LEU53B, LEU55A, LEU57A, LEU80A, LEU81A, LYS116B, LYS14A, LYS521B, LYS64A, MET145A, MET149B, MET473B, MET73B, PHE100A, PHE107A, PHE129B, PHE147A, PHE154B, PHE177B, PHE31B, PHE39A, PHE43B, PHE518B, PHE520B, PHE58B, PRO117B, PRO124A, PRO127B, PRO147B, PRO153A, PRO15A, PRO162A, PRO163A, PRO175B, PRO197B, PRO22B, PRO28A, PRO36A, PRO41B, PRO443B, PRO466B, PRO481B, PRO517B, PRO522B, PRO54B, PRO6A, PRO71A, PRO86A, PRO98A, PRO9A, SER103B, SER122B, SER123A, SER152A, SER17A, SER1B, SER25B, SER37A, SER441B, SER464B, SER478B, SER487B, SER49A, SER97A, THR112B, THR113B, THR135B, THR156A, THR158B, THR176B, THR27B, THR28B, THR32B, THR40B, THR439B, THR450B, THR465B, THR483B, THR484B, THR49B, THR516B, THR69B, THR76A, THR77A, THR77B, THR82A, TRP207B, TRP22A, TRP26B, TRP440B, TRP44A, TRP457B, TRP69A, TRP79A, TRP92A, TYR104B, TYR114A, TYR13A, TYR149A, TYR153B, TYR25A, TYR30B, TYR31A, TYR33B, TYR34B, TYR40A, TYR429B, TYR42A, TYR46B, TYR475B, TYR486B, TYR58A, TYR68A, TYR73A, TYR79B, TYR93A, VAL114B, VAL126A, VAL128B, VAL137A, VAL137B, VAL138A, VAL139B, VAL141B, VAL150A, VAL174B, VAL195B, VAL27A, VAL33A, VAL39B, VAL452B, VAL467B, VAL508B, VAL512B, VAL55B, VAL70B, VAL74B, VAL78A, VAL85A