3GWP

crystal structure of carbon-sulfur lyase involved in aluminum resistance (yp_878183.1) from clostridium novyi nt at 2.90 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 220
  • Norm. En. per Res.: -3.7988
• 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	-98.6722	-20.2501	-716.816	-835.7383	220	24	18	27725	6	63	63
A-C	-105.3537	2.0261	-566.284	-669.6115	182	30	10	21830	0	12	26
A-D	0.0	0.0	-23.891	-23.891	30	1	0	1341	0	3	2
B-C	-9.2759	0.0	-42.3501	-51.626	37	3	0	1843	0	5	2
B-D	-105.1934	2.0707	-594.764	-697.8867	189	22	10	22487	0	12	29
C-D	-76.7437	-53.2202	-695.82	-825.7839	219	22	17	27118	5	62	66

Interface residues

• A-B: ALA250A, ALA250B, ALA296A, ALA296B, ALA379A, ALA381A, ALA381B, ALA413A, ALA413B, ALA50A, ALA50B, ALA59A, ALA59B, ARG287A, ARG287B, ARG40A, ARG40B, ARG55A, ARG55B, ARG83A, ARG83B, ASN43A, ASN43B, ASN49A, ASN49B, ASN86A, ASN86B, ASP225A, ASP225B, ASP358A, ASP358B, ASP37A, ASP37B, ASP38A, ASP38B, ASP411A, ASP411B, GLN291A, GLN291B, GLN352A, GLN352B, GLN384A, GLN384B, GLN44A, GLN44B, GLN52A, GLN52B, GLN7A, GLN7B, GLU23A, GLU23B, GLU302A, GLU302B, GLU389A, GLU389B, GLU3A, GLU3B, GLU41A, GLU41B, GLU53A, GLU53B, GLU54A, GLU54B, GLU58A, GLU58B, GLY0A, GLY0B, GLY246A, GLY246B, GLY247A, GLY247B, GLY248A, GLY248B, GLY292A, GLY292B, GLY350A, GLY350B, GLY354A, GLY354B, GLY380A, GLY380B, GLY385A, GLY385B, GLY407A, GLY407B, GLY416A, GLY416B, HIS298A, HIS298B, HIS412A, HIS412B, HIS60A, HIS60B, ILE14A, ILE14B, ILE249A, ILE249B, ILE299A, ILE299B, ILE351A, ILE351B, ILE357A, ILE357B, ILE35A, ILE35B, ILE383A, ILE383B, ILE388A, ILE388B, ILE39A, ILE39B, ILE415A, ILE415B, ILE419A, ILE419B, ILE56A, ILE56B, LEU19A, LEU19B, LEU293A, LEU293B, LEU295A, LEU295B, LEU2A, LEU2B, LEU36A, LEU36B, LEU390A, LEU390B, LEU408A, LEU408B, LEU418A, LEU418B, LEU45A, LEU45B, LEU48A, LEU48B, LEU77B, LEU9A, LEU9B, LYS10A, LYS10B, LYS11A, LYS11B, LYS227A, LYS227B, LYS305A, LYS305B, LYS34A, LYS34B, LYS414A, LYS414B, LYS46A, LYS46B, LYS6A, LYS6B, PHE294A, PHE294B, PHE33A, PHE33B, PHE360A, PHE360B, PHE382A, PHE382B, PHE410A, PHE410B, PHE42A, PHE42B, PHE51A, PHE51B, PHE61A, PHE61B, PHE8A, PHE8B, PRO251A, PRO251B, PRO297A, PRO297B, PRO356A, PRO356B, SER288A, SER288B, SER355A, SER355B, SER359A, SER359B, SER386A, SER386B, SER4A, SER4B, SER57A, SER57B, THR226A, THR226B, THR252A, THR252B, THR353A, THR353B, THR409A, THR409B, THR5A, THR5B, TYR12A, TYR12B, TYR22A, TYR22B, TYR290A, TYR290B, VAL285A, VAL285B, VAL286A, VAL286B, VAL361A, VAL361B, VAL47A, VAL47B, VAL80A, VAL80B, VAL84A, VAL84B
• A-C: ALA102A, ALA102C, ALA105A, ALA105C, ALA106A, ALA106C, ALA250A, ALA250C, ALA381A, ALA381C, ARG112A, ARG112C, ARG269A, ARG269C, ARG74A, ARG74C, ARG93A, ARG93C, ASN110A, ASN110C, ASN115A, ASN115C, ASN137A, ASN139A, ASN139C, ASN63A, ASN63C, ASN98A, ASN98C, ASP130A, ASP130C, ASP261A, ASP261C, ASP71A, ASP71C, CYS279A, CYS279C, GLN384A, GLN384C, GLU145A, GLU145C, GLU264A, GLU278A, GLU278C, GLY104A, GLY104C, GLY109A, GLY109C, GLY133A, GLY133C, GLY141A, GLY141C, GLY147A, GLY147C, GLY253A, GLY253C, GLY274A, GLY274C, GLY276A, GLY276C, GLY277A, GLY277C, GLY280A, GLY280C, GLY284A, GLY284C, GLY385A, GLY385C, GLY66A, GLY66C, GLY68A, GLY68C, GLY70A, GLY70C, GLY99A, GLY99C, HIS101A, HIS101C, HIS129A, HIS129C, HIS95A, HIS95C, ILE132A, ILE132C, ILE148A, ILE148C, ILE213A, ILE213C, ILE242A, ILE242C, ILE249A, ILE249C, ILE275A, ILE275C, ILE383A, ILE383C, ILE72C, LEU103A, LEU103C, LEU107A, LEU107C, LEU111A, LEU111C, LEU128A, LEU128C, LEU143A, LEU143C, LEU241A, LEU241C, LEU270A, LEU270C, LEU91C, LYS144A, LYS144C, LYS265A, LYS265C, PHE108A, PHE108C, PHE146A, PHE146C, PHE283A, PHE283C, PHE382A, PHE382C, PHE96A, PHE96C, PRO113A, PRO113C, PRO251A, PRO251C, PRO273A, PRO273C, PRO94A, PRO94C, SER138A, SER138C, SER142A, SER142C, SER240A, SER240C, SER267A, SER267C, SER281A, SER281C, SER386A, SER386C, SER387A, SER387C, SER64A, SER64C, SER65A, SER65C, THR100A, THR100C, THR127A, THR127C, THR252A, THR252C, THR266A, THR266C, THR271A, THR271C, THR282A, THR282C, TYR125A, TYR125C, TYR220A, TYR220C, TYR268A, TYR268C, TYR67A, TYR67C, TYR69A, TYR69C, VAL131A, VAL131C, VAL272A, VAL272C, VAL285A, VAL285C, VAL97A, VAL97C
• A-D: ALA59D, ARG287A, ARG287D, ASN63A, ASN63D, GLU58A, GLU58D, GLY284A, GLY284D, GLY66A, GLY66D, PHE283A, PHE283D, PHE61A, PHE61D, SER281A, SER281D, SER288A, SER288D, SER64A, SER64D, SER65A, SER65D, THR62A, THR62D, TYR69D, VAL285A, VAL285D, VAL286A, VAL286D
• B-C: ALA59B, ALA59C, ARG287B, ARG287C, ASN63B, ASN63C, ASP71C, GLU58B, GLU58C, GLY284B, GLY284C, GLY66B, GLY66C, GLY70C, HIS60B, HIS60C, ILE72B, PHE283B, PHE283C, PHE61B, PHE61C, SER281B, SER281C, SER288B, SER288C, SER57B, SER64B, SER64C, SER65B, SER65C, THR282C, THR62B, THR62C, TYR69C, VAL285C, VAL286B, VAL286C
• B-D: ALA102B, ALA102D, ALA105B, ALA105D, ALA106B, ALA106D, ALA250B, ALA250D, ALA379B, ALA379D, ALA381B, ALA381D, ARG112B, ARG112D, ARG269B, ARG269D, ARG74B, ARG74D, ARG93B, ARG93D, ASN110B, ASN110D, ASN115B, ASN115D, ASN137B, ASN137D, ASN139B, ASN139D, ASN63B, ASN63D, ASN98B, ASN98D, ASP130B, ASP130D, ASP261B, ASP261D, ASP367D, ASP393D, ASP71B, ASP71D, CYS279B, CYS279D, GLN384B, GLN384D, GLU136B, GLU145B, GLU145D, GLU278B, GLU278D, GLY104B, GLY104D, GLY109B, GLY109D, GLY133B, GLY133D, GLY141B, GLY141D, GLY147B, GLY147D, GLY253B, GLY253D, GLY274B, GLY274D, GLY276B, GLY276D, GLY277B, GLY277D, GLY280B, GLY280D, GLY284B, GLY284D, GLY370D, GLY385B, GLY385D, GLY66B, GLY66D, GLY68B, GLY68D, GLY70B, GLY70D, GLY99B, GLY99D, HIS101B, HIS101D, HIS129B, HIS129D, HIS95B, HIS95D, ILE132B, ILE132D, ILE148B, ILE148D, ILE213B, ILE213D, ILE242B, ILE242D, ILE249B, ILE249D, ILE275B, ILE275D, ILE383B, ILE383D, LEU103B, LEU103D, LEU107B, LEU107D, LEU111B, LEU111D, LEU128B, LEU128D, LEU143B, LEU143D, LEU241B, LEU241D, LEU270B, LEU270D, LYS144B, LYS144D, LYS265B, LYS265D, PHE108B, PHE108D, PHE146B, PHE146D, PHE283B, PHE283D, PHE382B, PHE382D, PHE96B, PHE96D, PRO113B, PRO113D, PRO251B, PRO251D, PRO273B, PRO273D, PRO369D, PRO94B, PRO94D, SER138B, SER138D, SER142B, SER142D, SER240B, SER240D, SER267B, SER267D, SER281B, SER281D, SER386B, SER386D, SER387B, SER387D, SER64B, SER64D, SER65B, SER65D, THR100B, THR100D, THR127B, THR127D, THR252B, THR252D, THR266B, THR266D, THR271B, THR271D, THR282B, THR282D, TRP366D, TYR125B, TYR125D, TYR220B, TYR220D, TYR268B, TYR268D, TYR371D, TYR67B, TYR67D, TYR69B, TYR69D, VAL131B, VAL131D, VAL272B, VAL272D, VAL285B, VAL285D, VAL97B, VAL97D
• C-D: ALA250C, ALA250D, ALA296C, ALA296D, ALA379D, ALA381C, ALA381D, ALA413C, ALA413D, ALA50C, ALA50D, ALA59C, ALA59D, ARG287C, ARG287D, ARG40C, ARG40D, ARG55C, ARG55D, ARG83C, ARG83D, ASN43C, ASN43D, ASN49C, ASN49D, ASN86C, ASN86D, ASP225C, ASP225D, ASP358C, ASP358D, ASP37C, ASP37D, ASP38C, ASP38D, ASP411C, ASP411D, GLN291C, GLN291D, GLN30C, GLN352C, GLN352D, GLN384C, GLN384D, GLN44C, GLN44D, GLN52C, GLN52D, GLN7C, GLN7D, GLU23D, GLU302C, GLU302D, GLU389C, GLU389D, GLU3C, GLU3D, GLU41C, GLU41D, GLU53C, GLU53D, GLU54C, GLU54D, GLU58C, GLU58D, GLY0C, GLY0D, GLY246C, GLY246D, GLY247C, GLY247D, GLY248C, GLY248D, GLY292C, GLY292D, GLY350C, GLY350D, GLY354C, GLY354D, GLY380C, GLY380D, GLY407C, GLY407D, GLY416C, GLY416D, HIS298C, HIS298D, HIS412C, HIS412D, HIS60C, HIS60D, ILE14C, ILE14D, ILE249C, ILE249D, ILE299C, ILE299D, ILE351C, ILE351D, ILE357C, ILE357D, ILE35C, ILE35D, ILE383C, ILE383D, ILE388C, ILE388D, ILE39C, ILE39D, ILE415C, ILE415D, ILE419C, ILE419D, ILE56C, ILE56D, LEU19C, LEU19D, LEU293C, LEU293D, LEU295C, LEU295D, LEU2C, LEU2D, LEU36C, LEU36D, LEU390C, LEU390D, LEU408C, LEU408D, LEU418C, LEU418D, LEU45C, LEU45D, LEU48C, LEU48D, LEU77C, LEU77D, LEU9C, LEU9D, LYS10C, LYS10D, LYS11C, LYS11D, LYS227C, LYS227D, LYS305C, LYS305D, LYS328C, LYS34C, LYS34D, LYS414C, LYS414D, LYS46C, LYS46D, LYS6C, LYS6D, PHE294C, PHE294D, PHE33C, PHE33D, PHE360C, PHE360D, PHE382C, PHE382D, PHE410C, PHE410D, PHE42C, PHE42D, PHE51C, PHE51D, PHE61C, PHE61D, PHE8C, PHE8D, PRO251C, PRO251D, PRO297C, PRO297D, PRO356C, PRO356D, SER288C, SER288D, SER355C, SER355D, SER359C, SER359D, SER362C, SER386C, SER386D, SER4C, SER4D, SER57C, SER57D, THR226C, THR226D, THR252C, THR252D, THR353C, THR353D, THR409C, THR409D, THR5C, THR5D, TYR12C, TYR12D, TYR22C, TYR22D, TYR290C, TYR290D, VAL285C, VAL285D, VAL286C, VAL286D, VAL361C, VAL361D, VAL47C, VAL47D, VAL84C, VAL84D