1C7O

crystal structure of cystalysin from treponema denticola contains a pyridoxal 5'-phosphate-l- aminoethoxyvinylglycine complex

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 187
  • Norm. En. per Res.: -3.426
• 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	-103.4266	-27.925	-502.268	-633.6196	188	37	20	22182	4	37	32
A-F	-8.6656	7.282	-66.3635	-67.7472	38	3	0	2340	4	39	47
B-F	0.0	2.4087	-14.6824	-12.2737	21	2	0	826	0	23	20
C-D	-122.0827	-21.5614	-497.014	-640.6581	187	31	20	22137	4	40	34
D-G	-16.7769	5.3505	-28.3919	-39.8183	34	8	0	1748	3	33	38
D-H	0.0	0.0	-0.007	-0.007	5	0	0	8	0	2	4
E-F	-98.0181	-13.9794	-495.919	-607.9165	185	29	19	22004	4	39	36
E-H	0.0	0.0281	-2.4857	-2.4576	12	0	0	337	0	10	15
G-H	-97.3661	-22.7	-493.431	-613.497	185	39	19	21919	4	40	37

Interface residues

• A-B: ALA101A, ALA101B, ALA129A, ALA129B, ALA235B, ALA243A, ALA243B, ALA267A, ALA267B, ALA280A, ALA280B, ALA39A, ALA39B, ALA96A, ALA96B, ARG107A, ARG107B, ARG11A, ARG11B, ARG135B, ARG265A, ARG265B, ARG369A, ASN104A, ASN104B, ASN132A, ASN132B, ASN13A, ASN13B, ASN241A, ASN241B, ASN371A, ASN371B, ASN45A, ASN45B, ASP20A, ASP20B, ASP266A, ASP266B, ASP40A, ASP40B, ASP58A, ASP58B, CYS284A, CYS284B, GLN133A, GLN133B, GLU42A, GLU42B, GLU51A, GLU51B, GLU59A, GLU59B, GLU69A, GLU69B, GLU70A, GLU70B, GLY15A, GLY15B, GLY244A, GLY244B, GLY246A, GLY246B, GLY270A, GLY270B, GLY277A, GLY277B, GLY52A, GLY52B, GLY63A, GLY63B, GLY66A, GLY66B, GLY97A, GLY97B, HIS206A, HIS206B, ILE205A, ILE205B, ILE242A, ILE242B, ILE50A, ILE50B, ILE9A, ILE9B, LEU14A, LEU14B, LEU17A, LEU17B, LEU276A, LEU276B, LEU49A, LEU49B, LEU53A, LEU53B, LEU57A, LEU57B, LEU62A, LEU62B, LYS12A, LYS18A, LYS18B, LYS238A, LYS238B, LYS263A, LYS263B, LYS279A, LYS279B, LYS44A, LYS44B, LYS54A, LYS54B, LYS55A, LYS55B, MET128A, MET128B, MET245A, MET245B, MET247B, MET271A, MET271B, MET41A, MET41B, PHE103A, PHE103B, PHE240A, PHE240B, PHE273A, PHE273B, PHE43A, PHE43B, PRO100A, PRO100B, PRO125A, PRO272A, PRO272B, PRO46A, PRO46B, PRO67A, PRO67B, SER10A, SER10B, SER16A, SER16B, SER237A, SER237B, SER264A, SER264B, SER269A, SER269B, THR268A, THR268B, THR274A, THR274B, THR275A, THR275B, THR60A, THR60B, THR65A, THR65B, THR68A, THR68B, THR95A, THR95B, TRP19A, TRP19B, TRP291A, TYR123A, TYR123B, TYR278A, TYR278B, TYR326A, TYR326B, TYR56A, TYR56B, TYR64A, TYR64B, TYR71A, VAL106A, VAL106B, VAL38A, VAL38B, VAL61A, VAL61B, VAL98A, VAL98B, VAL99A, VAL99B
• A-F: ALA341F, ARG258A, ARG260A, ARG333F, ASN254A, ASP197A, ASP228A, ASP256A, ASP338F, ASP362F, ASP90A, GLN225A, GLU108A, GLU259A, GLU343F, GLU344F, GLY366F, HIS339F, ILE257A, ILE365F, LEU335F, LYS131F, LYS136F, LYS155F, LYS163A, LYS195A, LYS229A, LYS263A, LYS336F, LYS340F, MET337F, MET342F, PHE109A, PHE261A, PRO255A, SER264A, THR262A, TYR358F
• B-F: ASN132B, ASP392F, GLU134B, GLU28F, GLU343B, GLU344F, GLU356B, HIS339B, HIS348F, ILE137B, ILE359B, LEU393F, LYS131B, LYS136B, LYS340B, LYS349F, LYS391F, LYS394F, PHE345F, TYR124B, TYR358B
• C-D: ALA101C, ALA101D, ALA129C, ALA129D, ALA235C, ALA243C, ALA243D, ALA267C, ALA267D, ALA280C, ALA280D, ALA39C, ALA39D, ALA96C, ALA96D, ARG107C, ARG107D, ARG11C, ARG11D, ARG265C, ARG265D, ARG369D, ASN104C, ASN104D, ASN132C, ASN132D, ASN13C, ASN13D, ASN241C, ASN241D, ASN371C, ASN371D, ASN45C, ASN45D, ASP20C, ASP20D, ASP266C, ASP266D, ASP40C, ASP40D, ASP58C, ASP58D, CYS284C, CYS284D, GLN133C, GLN133D, GLU42C, GLU42D, GLU51C, GLU51D, GLU59C, GLU59D, GLU69C, GLU69D, GLU70C, GLU70D, GLY15C, GLY15D, GLY244C, GLY244D, GLY246C, GLY246D, GLY270C, GLY270D, GLY277C, GLY277D, GLY52C, GLY52D, GLY63C, GLY63D, GLY66C, GLY66D, GLY97C, GLY97D, HIS206C, HIS206D, ILE205C, ILE205D, ILE242C, ILE242D, ILE50C, ILE50D, ILE9C, ILE9D, LEU14C, LEU14D, LEU17C, LEU17D, LEU276C, LEU276D, LEU49C, LEU49D, LEU53C, LEU53D, LEU57C, LEU57D, LEU62C, LEU62D, LYS12D, LYS18C, LYS18D, LYS238C, LYS238D, LYS263C, LYS263D, LYS279C, LYS279D, LYS44C, LYS44D, LYS54C, LYS54D, LYS55C, LYS55D, MET128C, MET128D, MET245C, MET245D, MET247C, MET271C, MET271D, MET41C, MET41D, PHE103C, PHE103D, PHE240C, PHE240D, PHE273C, PHE273D, PHE43C, PHE43D, PRO100C, PRO100D, PRO125D, PRO272C, PRO272D, PRO46C, PRO46D, PRO47C, PRO67C, PRO67D, SER10C, SER10D, SER16C, SER16D, SER237C, SER237D, SER264C, SER264D, SER269C, SER269D, THR268C, THR268D, THR274C, THR274D, THR275C, THR275D, THR60C, THR60D, THR65C, THR65D, THR68C, THR68D, THR95C, THR95D, TRP19C, TRP19D, TYR123C, TYR123D, TYR278C, TYR278D, TYR326C, TYR326D, TYR56C, TYR56D, TYR64C, TYR64D, TYR71C, TYR71D, VAL106D, VAL38C, VAL38D, VAL61C, VAL61D, VAL98C, VAL98D, VAL99C, VAL99D
• D-G: ALA227G, ARG258G, ASN254G, ASP152D, ASP191D, ASP223G, ASP228G, ASP256G, ASP86G, ASP90G, GLN154D, GLN187D, GLN225G, GLN88G, GLU157D, GLU224G, GLU259G, ILE192D, ILE87G, LEU194D, LYS155D, LYS158D, LYS161D, LYS188D, LYS190D, LYS195D, LYS253G, LYS76G, PHE153D, PRO255G, SER160D, SER196D, THR89G, TRP91G
• D-H: GLN225D, GLU224D, LYS253D, PRO27H, SER24H
• E-F: ALA101E, ALA101F, ALA129E, ALA129F, ALA235F, ALA243E, ALA243F, ALA267E, ALA267F, ALA280E, ALA280F, ALA39E, ALA39F, ALA96E, ALA96F, ARG107E, ARG107F, ARG11E, ARG11F, ARG265E, ARG265F, ARG369F, ASN104E, ASN104F, ASN132E, ASN132F, ASN13E, ASN13F, ASN241E, ASN241F, ASN371E, ASN371F, ASN45E, ASN45F, ASP20E, ASP20F, ASP266E, ASP266F, ASP40E, ASP40F, ASP58E, ASP58F, CYS284F, GLN133E, GLN133F, GLU42E, GLU42F, GLU51E, GLU51F, GLU59E, GLU59F, GLU69E, GLU69F, GLU70E, GLU70F, GLY15E, GLY15F, GLY244E, GLY244F, GLY246E, GLY246F, GLY270E, GLY270F, GLY277E, GLY277F, GLY52E, GLY52F, GLY63E, GLY63F, GLY66E, GLY66F, GLY97E, GLY97F, HIS206E, HIS206F, ILE205E, ILE205F, ILE242E, ILE242F, ILE50E, ILE50F, ILE9E, ILE9F, LEU14E, LEU14F, LEU17E, LEU17F, LEU276E, LEU276F, LEU49E, LEU49F, LEU53E, LEU53F, LEU57E, LEU57F, LEU62E, LEU62F, LYS18E, LYS18F, LYS238E, LYS238F, LYS263E, LYS263F, LYS279E, LYS279F, LYS44E, LYS44F, LYS54E, LYS54F, LYS55E, LYS55F, MET128E, MET128F, MET245E, MET245F, MET247F, MET271E, MET271F, MET41E, MET41F, PHE103E, PHE103F, PHE240E, PHE240F, PHE273E, PHE273F, PHE43E, PHE43F, PRO100E, PRO100F, PRO125E, PRO272E, PRO272F, PRO46E, PRO46F, PRO47E, PRO67E, PRO67F, SER10E, SER10F, SER16E, SER16F, SER237E, SER237F, SER264E, SER264F, SER269E, SER269F, THR268E, THR268F, THR274E, THR274F, THR275E, THR275F, THR60E, THR60F, THR65E, THR65F, THR68E, THR68F, THR95E, THR95F, TRP19E, TRP19F, TRP291F, TYR123E, TYR123F, TYR278E, TYR278F, TYR326E, TYR326F, TYR56E, TYR56F, TYR64E, TYR64F, TYR71E, TYR71F, VAL38E, VAL38F, VAL61E, VAL61F, VAL98E, VAL98F, VAL99E, VAL99F
• E-H: ALA334E, ASN313H, ASN387H, ASP146E, GLU316E, GLU384H, LYS318E, LYS336E, LYS388H, LYS391H, PRO315E, VAL312H
• G-H: ALA101G, ALA101H, ALA129G, ALA129H, ALA235H, ALA243G, ALA243H, ALA267G, ALA267H, ALA280G, ALA280H, ALA39G, ALA39H, ALA96G, ALA96H, ARG107G, ARG107H, ARG11G, ARG11H, ARG265G, ARG265H, ARG369G, ARG369H, ASN104G, ASN104H, ASN132G, ASN132H, ASN13G, ASN13H, ASN241G, ASN241H, ASN371G, ASN371H, ASN45G, ASN45H, ASP20G, ASP20H, ASP266G, ASP266H, ASP40G, ASP40H, ASP58G, ASP58H, CYS284G, CYS284H, GLN133G, GLN133H, GLU42G, GLU42H, GLU51G, GLU51H, GLU59G, GLU59H, GLU69G, GLU69H, GLU70G, GLY15G, GLY15H, GLY244G, GLY244H, GLY246G, GLY246H, GLY270G, GLY270H, GLY277G, GLY277H, GLY52G, GLY52H, GLY63G, GLY63H, GLY66G, GLY66H, GLY97G, GLY97H, HIS206H, ILE205G, ILE205H, ILE242G, ILE242H, ILE50G, ILE50H, ILE9G, ILE9H, LEU14G, LEU14H, LEU17G, LEU17H, LEU276G, LEU276H, LEU49G, LEU49H, LEU53G, LEU53H, LEU57G, LEU57H, LEU62G, LEU62H, LYS12H, LYS18G, LYS18H, LYS238G, LYS238H, LYS263G, LYS263H, LYS279G, LYS279H, LYS44G, LYS44H, LYS54G, LYS54H, LYS55G, LYS55H, MET128G, MET128H, MET245G, MET245H, MET247H, MET271G, MET271H, MET41G, MET41H, PHE103G, PHE103H, PHE240G, PHE240H, PHE273G, PHE273H, PHE43G, PHE43H, PRO100G, PRO100H, PRO125G, PRO272G, PRO272H, PRO46G, PRO46H, PRO67G, PRO67H, SER10G, SER10H, SER16G, SER16H, SER237G, SER237H, SER264G, SER264H, SER269G, SER269H, THR268G, THR268H, THR274G, THR274H, THR275G, THR275H, THR60G, THR60H, THR65G, THR65H, THR68G, THR68H, THR95G, THR95H, TRP19G, TRP19H, TRP291H, TYR123G, TYR123H, TYR278G, TYR278H, TYR326G, TYR326H, TYR56G, TYR56H, TYR64G, TYR64H, TYR71G, VAL106H, VAL38G, VAL38H, VAL61G, VAL61H, VAL98G, VAL98H, VAL99G, VAL99H