2YCP

f448h mutant of tyrosine phenol-lyase from citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-l-tyrosine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 115
  • Norm. En. per Res.: -6.5725
• Hub Node: A(3)

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	-169.681	-25.1125	-630.115	-824.9085	218	30	20	25881	4	72	53
A-C	-2.688	-0.705	-93.244	-96.6371	40	0	1	3899	0	24	15
A-D	-178.6972	-92.3247	-471.407	-742.4289	115	23	20	18072	8	40	45
B-C	-185.8891	-90.7049	-479.239	-755.833	115	22	20	18149	8	40	45
B-D	-5.1364	-0.856	-93.1418	-99.1342	42	2	1	3864	0	24	15
C-D	-153.0573	-24.9006	-644.968	-822.9259	217	23	20	26055	4	70	53

Interface residues

• A-B: ALA102A, ALA278A, ALA278B, ALA295A, ALA295B, ALA301A, ALA301B, ALA451A, ALA451B, ALA55A, ALA55B, ALA70A, ALA70B, ALA72A, ALA72B, ARG100A, ARG100B, ARG297A, ARG297B, ARG377A, ARG377B, ARG381B, ARG404A, ARG404B, ARG447A, ARG447B, ARG452A, ARG452B, ARG82A, ARG82B, ASN104A, ASN104B, ASN133A, ASN133B, ASN262A, ASN262B, ASN34A, ASN34B, ASN39A, ASN39B, ASN54A, ASN54B, ASN76A, ASN76B, ASP298A, ASP298B, ASP42A, ASP42B, ASP46A, ASP46B, ASP50A, ASP50B, ASP68A, ASP68B, GLN108A, GLN108B, GLN445A, GLN445B, GLN60A, GLN60B, GLN98A, GLN98B, GLU103A, GLU103B, GLU14A, GLU14B, GLU280A, GLU280B, GLU286A, GLU286B, GLU442A, GLU442B, GLU69A, GLU69B, GLU75A, GLU75B, GLY101A, GLY101B, GLY264A, GLY264B, GLY287A, GLY287B, GLY292A, GLY292B, GLY293A, GLY293B, GLY296A, GLY296B, GLY52A, GLY52B, GLY63A, GLY63B, GLY67A, GLY67B, GLY73A, GLY73B, GLY99A, HIS129A, HIS129B, HIS448A, HIS448B, HIS97A, HIS97B, ILE263A, ILE263B, ILE43A, ILE43B, LEU105A, LEU105B, LEU109A, LEU109B, LEU281A, LEU281B, LEU294A, LEU294B, LEU37A, LEU37B, LEU38A, LEU38B, LEU446A, LEU446B, LEU48A, LEU48B, LYS132A, LYS132B, LYS256A, LYS256B, LYS257A, LYS257B, LYS279A, LYS279B, LYS41A, LYS41B, LYS444A, LYS444B, MET288A, MET288B, MET299A, MET299B, MET302A, MET302B, MET379A, MET379B, MET56A, MET56B, MET64A, MET64B, MET65A, MET65B, MET66A, MET66B, PHE123B, PHE275B, PHE36A, PHE36B, PHE449A, PHE449B, PHE77A, PHE77B, PRO289A, PRO289B, PRO408A, PRO408B, PRO443A, PRO443B, SER12A, SER12B, SER254A, SER254B, SER276A, SER276B, SER277A, SER277B, SER290A, SER290B, SER40A, SER40B, SER51A, SER51B, SER74A, SER74B, THR124B, THR125A, THR125B, THR35A, THR35B, THR450A, THR450B, THR49A, THR49B, THR53A, THR53B, THR96A, THR96B, TRP61A, TRP61B, TYR128A, TYR128B, TYR285A, TYR285B, TYR291A, TYR291B, TYR441A, TYR441B, TYR71A, TYR71B, TYR78A, TYR78B, VAL261A, VAL261B, VAL282A, VAL282B, VAL283A, VAL283B, VAL284A, VAL284B, VAL411A, VAL411B
• A-C: ALA62A, ALA62C, ALA70A, ALA70C, ARG297A, ARG297C, ARG9A, ARG9C, ASN76A, ASN76C, ASP58A, ASP58C, ASP68A, ASP68C, GLN60A, GLN60C, GLU69A, GLU69C, GLU75A, GLU75C, GLY63A, GLY63C, GLY67A, GLY67C, LYS11A, LYS11C, LYS59A, LYS59C, MET64A, MET64C, MET65A, MET65C, MET66A, MET66C, SER57A, SER57C, TRP61A, TRP61C, TYR71A, TYR71C
• A-D: ALA415A, ALA415D, ALA55A, ALA55D, ALA5A, ALA5D, ARG377A, ARG377D, ARG409A, ARG409D, ARG410A, ARG410D, ARG9A, ARG9D, ASN262A, ASN262D, ASN54A, ASN54D, ASP418A, ASP418D, ASP422A, ASP422D, ASP46A, ASP46D, ASP58A, ASP58D, GLN311A, GLN311D, GLN321A, GLN321D, GLN60A, GLN60D, GLU14A, GLU14D, GLU308A, GLU308D, GLU313A, GLU313D, GLU6A, GLU6D, HIS317A, HIS317D, HIS416A, HIS416D, ILE10A, ILE10D, ILE43A, ILE43D, ILE45A, ILE45D, LEU260A, LEU260D, LEU47A, LEU47D, LYS11A, LYS11D, LYS41A, LYS41D, LYS426A, LYS59A, LYS59D, MET18A, MET18D, MET1A, MET1D, MET417A, MET417D, MET56A, MET56D, MET65A, MET65D, PHE8A, PHE8D, PRO408A, PRO408D, PRO4A, PRO4D, PRO7A, PRO7D, SER12A, SER12D, SER17A, SER17D, SER40A, SER40D, SER57A, SER57D, THR15A, THR15D, THR413A, THR413D, THR53A, THR53D, TRP61A, TRP61D, TYR314A, TYR314D, TYR3A, TYR3D, TYR412A, TYR412D, TYR414A, TYR414D, TYR44A, TYR44D, VAL13A, VAL13D, VAL16A, VAL16D, VAL411A, VAL411D, VAL419A, VAL419D, VAL420A, VAL420D
• B-C: ALA415B, ALA415C, ALA55B, ALA55C, ALA5B, ALA5C, ARG377B, ARG377C, ARG409B, ARG409C, ARG410B, ARG410C, ARG9B, ARG9C, ASN262B, ASN262C, ASN54B, ASN54C, ASP418B, ASP418C, ASP422B, ASP422C, ASP46B, ASP46C, ASP58B, ASP58C, GLN311B, GLN311C, GLN321B, GLN321C, GLN60B, GLN60C, GLU14B, GLU14C, GLU308B, GLU308C, GLU313B, GLU313C, GLU6B, GLU6C, HIS317B, HIS317C, HIS416B, HIS416C, ILE10B, ILE10C, ILE43B, ILE43C, ILE45B, ILE45C, LEU260B, LEU260C, LEU47B, LEU47C, LYS11B, LYS11C, LYS41B, LYS41C, LYS426C, LYS59B, LYS59C, MET18B, MET18C, MET1B, MET1C, MET417B, MET417C, MET56B, MET56C, MET65B, MET65C, PHE8B, PHE8C, PRO408B, PRO408C, PRO4B, PRO4C, PRO7B, PRO7C, SER12B, SER12C, SER17B, SER17C, SER40B, SER40C, SER57B, SER57C, THR15B, THR15C, THR413B, THR413C, THR53B, THR53C, TRP61B, TRP61C, TYR314B, TYR314C, TYR3B, TYR3C, TYR412B, TYR412C, TYR414B, TYR414C, TYR44B, TYR44C, VAL13B, VAL13C, VAL16B, VAL16C, VAL411B, VAL411C, VAL419B, VAL419C, VAL420B, VAL420C
• B-D: ALA62B, ALA62D, ALA70B, ALA70D, ARG297B, ARG297D, ARG9B, ARG9D, ASN76B, ASN76D, ASP58B, ASP58D, ASP68B, ASP68D, GLN60B, GLN60D, GLU300B, GLU69B, GLU69D, GLU75B, GLU75D, GLY63B, GLY63D, GLY67B, GLY67D, ILE304B, LYS11B, LYS11D, LYS59B, LYS59D, MET64B, MET64D, MET65B, MET65D, MET66B, MET66D, SER57B, SER57D, TRP61B, TRP61D, TYR71B, TYR71D
• C-D: ALA102C, ALA102D, ALA278C, ALA278D, ALA295C, ALA295D, ALA301C, ALA301D, ALA451C, ALA451D, ALA55C, ALA55D, ALA70C, ALA70D, ALA72C, ALA72D, ARG100C, ARG100D, ARG297C, ARG297D, ARG377C, ARG377D, ARG381D, ARG404C, ARG404D, ARG447C, ARG447D, ARG452C, ARG452D, ASN104C, ASN104D, ASN133C, ASN133D, ASN262C, ASN262D, ASN34C, ASN34D, ASN39C, ASN39D, ASN54C, ASN54D, ASN76C, ASN76D, ASP298C, ASP298D, ASP42C, ASP42D, ASP46C, ASP46D, ASP50C, ASP50D, ASP68C, ASP68D, GLN108C, GLN108D, GLN445C, GLN445D, GLN60C, GLN60D, GLN98C, GLN98D, GLU103C, GLU103D, GLU14C, GLU14D, GLU280C, GLU280D, GLU286C, GLU286D, GLU442C, GLU442D, GLU69C, GLU69D, GLU75C, GLU75D, GLY101C, GLY101D, GLY264C, GLY264D, GLY287C, GLY287D, GLY292C, GLY292D, GLY293C, GLY293D, GLY296C, GLY296D, GLY52C, GLY52D, GLY63C, GLY63D, GLY67C, GLY67D, GLY73C, GLY73D, GLY99C, HIS129C, HIS129D, HIS448C, HIS448D, HIS97C, HIS97D, ILE263C, ILE263D, ILE43C, ILE43D, LEU105C, LEU105D, LEU109C, LEU109D, LEU281C, LEU281D, LEU294C, LEU294D, LEU37C, LEU37D, LEU38C, LEU38D, LEU446C, LEU446D, LEU48C, LEU48D, LYS132C, LYS132D, LYS256C, LYS256D, LYS257C, LYS257D, LYS279C, LYS279D, LYS41C, LYS41D, LYS444C, LYS444D, MET288C, MET288D, MET299C, MET299D, MET302C, MET302D, MET379C, MET379D, MET56C, MET56D, MET64C, MET64D, MET65C, MET65D, MET66C, MET66D, PHE123D, PHE275D, PHE36C, PHE36D, PHE449C, PHE449D, PHE77C, PHE77D, PRO289C, PRO289D, PRO408C, PRO408D, PRO443C, PRO443D, SER12C, SER12D, SER254C, SER254D, SER276C, SER276D, SER277C, SER277D, SER290C, SER290D, SER40C, SER40D, SER51C, SER51D, SER74C, SER74D, THR124D, THR125C, THR125D, THR35C, THR35D, THR450C, THR450D, THR49C, THR49D, THR53C, THR53D, THR96C, THR96D, TRP61C, TRP61D, TYR128C, TYR128D, TYR285C, TYR285D, TYR291C, TYR291D, TYR441C, TYR441D, TYR71C, TYR71D, TYR78C, TYR78D, VAL261C, VAL261D, VAL282C, VAL282D, VAL283C, VAL283D, VAL284C, VAL284D, VAL411C, VAL411D